D00AAN
  -OEChem-10101305022D

100108  0     1  0  0  0  0  0999 V2000
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 52100  1  0  0  0  0
M  END

$$$$
D00AAU
  -OEChem-10101305022D

 42 43  0     1  0  0  0  0  0999 V2000
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M  END

$$$$
D00ACX
  -OEChem-10101305032D

 28 29  0     0  0  0  0  0  0999 V2000
    2.0000   -0.7500    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -3.7500    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    6.3301   -2.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -2.7500    0.0000 N   0  3  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
    4.5981   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.2500    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
    4.5981   -2.2500    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
    3.7320   -2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.2500    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
    3.7320    2.2500    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
    3.7320    3.2500    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
    5.1350   -0.9400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    0.4400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -2.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    1.9400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951    1.9400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    3.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951    3.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    4.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  1  0  0  0  0
  2  9  2  0  0  0  0
  3  6  1  0  0  0  0
  4  6  2  0  0  0  0
  5  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 21  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 12  2  0  0  0  0
  8 11  2  0  0  0  0
  8 20  1  0  0  0  0
 10 15  2  0  0  0  0
 10 16  1  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 22  1  0  0  0  0
 14 23  1  0  0  0  0
 15 17  1  0  0  0  0
 15 24  1  0  0  0  0
 16 18  2  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 19  1  0  0  0  0
 18 27  1  0  0  0  0
 19 28  1  0  0  0  0
M  CHG  2   3  -1   6   1
M  END

$$$$
D00AEX
  -OEChem-10101305022D

 37 38  0     0  0  0  0  0  0999 V2000
    7.1962   -1.6012    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603    0.3988    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282   -1.6012    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.7429    1.6012    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.1012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.6012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.6012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.1012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -1.1012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.6012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -1.1012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942   -0.1012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -0.1012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    0.3988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942   -1.1012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5738   -0.0080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7648    1.3933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2429    0.7352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9966   -0.6263    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1996   -0.6263    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3335   -2.0762    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1306   -2.0762    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0656   -2.0762    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8626   -2.0762    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2646   -0.6263    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4675   -0.6263    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7287   -0.6263    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9316   -0.6263    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -1.0643    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -1.9112    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   -2.1382    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5252    0.2088    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    1.0188    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3312   -1.4112    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7027   -0.6144    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3040    1.8082    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.8595    0.6704    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
  2 12  1  0  0  0  0
  2 16  1  0  0  0  0
  2 17  1  0  0  0  0
  3 11  2  0  0  0  0
  3 15  1  0  0  0  0
  4 17  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 19  1  0  0  0  0
  5 20  1  0  0  0  0
  6  8  1  0  0  0  0
  6 21  1  0  0  0  0
  6 22  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
 10 31  1  0  0  0  0
 11 13  1  0  0  0  0
 12 14  1  0  0  0  0
 12 15  2  0  0  0  0
 13 14  2  0  0  0  0
 13 32  1  0  0  0  0
 14 33  1  0  0  0  0
 15 34  1  0  0  0  0
 16 18  2  0  0  0  0
 16 35  1  0  0  0  0
 17 36  1  0  0  0  0
 18 37  1  0  0  0  0
M  END

$$$$
D00AHD
  -OEChem-10101305022D

 47 52  0     0  0  0  0  0  0999 V2000
    4.6660   -3.2095    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000    0.2905    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660   -1.2095    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0080    0.7302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3653    1.4963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9929    0.9039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660   -0.2095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7073    2.4360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3349    1.8436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321   -1.7095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000   -1.7095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6921    2.6096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321   -2.7095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000   -2.7095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3424    1.2996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6500    0.0957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0501    3.2441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3578    2.0402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4260   -1.1748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9061   -1.1748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6667    2.0924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6772    0.2687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4260   -3.2441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9061   -3.2441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0229    3.0712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0335    1.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3321   -1.6886    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.6886    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3321   -2.7303    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.7303    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9041    3.1922    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1371    0.7146    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4312   -0.4844    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2689    3.8242    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5631    2.6253    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9132   -0.5548    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4188   -0.5548    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9132   -3.8641    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4188   -3.8641    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0565    1.9823    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0739   -0.2078    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6263    3.5476    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6436    1.3575    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4643   -1.3766    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8678   -1.3766    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4643   -3.0424    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8678   -3.0424    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  7  2  0  0  0  0
  3  7  1  0  0  0  0
  3 10  1  0  0  0  0
  3 11  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  4  7  1  0  0  0  0
  5  8  1  0  0  0  0
  5 15  1  0  0  0  0
  6  9  1  0  0  0  0
  6 16  2  0  0  0  0
  8 12  2  0  0  0  0
  8 17  1  0  0  0  0
  9 12  1  0  0  0  0
  9 18  2  0  0  0  0
 10 13  1  0  0  0  0
 10 19  2  0  0  0  0
 11 14  1  0  0  0  0
 11 20  2  0  0  0  0
 12 31  1  0  0  0  0
 13 23  2  0  0  0  0
 14 24  2  0  0  0  0
 15 21  2  0  0  0  0
 15 32  1  0  0  0  0
 16 22  1  0  0  0  0
 16 33  1  0  0  0  0
 17 25  2  0  0  0  0
 17 34  1  0  0  0  0
 18 26  1  0  0  0  0
 18 35  1  0  0  0  0
 19 27  1  0  0  0  0
 19 37  1  0  0  0  0
 20 28  1  0  0  0  0
 20 36  1  0  0  0  0
 21 25  1  0  0  0  0
 21 40  1  0  0  0  0
 22 26  2  0  0  0  0
 22 41  1  0  0  0  0
 23 29  1  0  0  0  0
 23 39  1  0  0  0  0
 24 30  1  0  0  0  0
 24 38  1  0  0  0  0
 25 42  1  0  0  0  0
 26 43  1  0  0  0  0
 27 29  2  0  0  0  0
 27 45  1  0  0  0  0
 28 30  2  0  0  0  0
 28 44  1  0  0  0  0
 29 47  1  0  0  0  0
 30 46  1  0  0  0  0
M  END

$$$$
D00AII
  -OEChem-10101305032D

 35 36  0     0  0  0  0  0  0999 V2000
    5.4641   -3.4050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.4050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    4.0950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.4050    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
    4.5981   -2.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.9050    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
    4.5981    1.0950    0.0000 C   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    0.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.5950    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    2.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    3.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -4.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -4.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -1.5950    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -1.5950    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951   -0.0950    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -4.0250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0010    1.2850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951    1.2850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    2.9050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951    2.9050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8441   -4.4050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -5.0250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0841   -4.4050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3800   -4.4050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -5.0250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6200   -4.4050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    4.4050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1 18  1  0  0  0  0
  2  8  1  0  0  0  0
  2 19  1  0  0  0  0
  3 17  1  0  0  0  0
  3 35  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  4  9  1  0  0  0  0
  5  8  1  0  0  0  0
  5 20  1  0  0  0  0
  6  7  2  0  0  0  0
  6 21  1  0  0  0  0
  7 11  1  0  0  0  0
  8 11  2  0  0  0  0
  9 12  2  0  0  0  0
  9 22  1  0  0  0  0
 10 12  1  0  0  0  0
 10 13  2  0  0  0  0
 10 14  1  0  0  0  0
 11 23  1  0  0  0  0
 12 24  1  0  0  0  0
 13 15  1  0  0  0  0
 13 25  1  0  0  0  0
 14 16  2  0  0  0  0
 14 26  1  0  0  0  0
 15 17  2  0  0  0  0
 15 27  1  0  0  0  0
 16 17  1  0  0  0  0
 16 28  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 32  1  0  0  0  0
 19 33  1  0  0  0  0
 19 34  1  0  0  0  0
M  END

$$$$
D00AJB
  -OEChem-10101305032D

 55 59  0     1  0  0  0  0  0999 V2000
    8.1100   -1.6303    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.5625   -1.3938    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    9.3498   -0.3961    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.8125    1.3220    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    5.0544   -2.4601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.5277   -1.5266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0192   -2.4380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.3428    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0112    1.8284    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5647   -1.2184    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4032    1.5105    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8531   -1.0634    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6292   -1.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1535    0.3801    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9152    1.1420    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5207    1.3640    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9606    1.9310    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3365    2.3860    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4042    2.3232    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1885    1.4844    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0164    0.7307    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0099   -1.8231    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1654    2.0149    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5662    2.7948    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7863    3.1956    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7901   -0.1004    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3549   -3.0024    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2831   -2.4673    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7496   -3.2097    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4920   -2.7432    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6957   -2.9670    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4736   -2.0153    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6725   -2.8692    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5264   -2.6703    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 16  2  0  0  0  0
  3 25  1  0  0  0  0
  3 27  1  0  0  0  0
  4  6  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 21  1  0  0  0  0
  5 43  1  0  0  0  0
  6  7  1  0  0  0  0
  6  9  1  0  0  0  0
  6 28  1  6  0  0  0
  7 10  1  0  0  0  0
  7 13  1  0  0  0  0
  7 16  1  6  0  0  0
  8 10  1  0  0  0  0
  8 11  1  0  0  0  0
  8 12  1  0  0  0  0
  8 29  1  6  0  0  0
  9 11  1  0  0  0  0
  9 15  1  1  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 17  2  0  0  0  0
 14 18  1  0  0  0  0
 14 37  1  0  0  0  0
 14 38  1  0  0  0  0
 15 20  1  0  0  0  0
 15 39  1  0  0  0  0
 15 40  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 41  1  0  0  0  0
 18 42  1  0  0  0  0
 19 21  2  0  0  0  0
 19 22  1  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 25  2  0  0  0  0
 22 47  1  0  0  0  0
 23 26  2  0  0  0  0
 23 48  1  0  0  0  0
 24 49  1  0  0  0  0
 24 50  1  0  0  0  0
 24 51  1  0  0  0  0
 25 26  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

$$$$
D00ANJ
  -OEChem-10101305022D

 52 53  0     0  0  0  0  0  0999 V2000
    6.2619   -2.9950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9889   -4.7502    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783   -2.1902    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.5673    1.0738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2566    0.1233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5458    1.2800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2781   -0.0830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8564    2.2305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9674   -1.0335    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8349    2.4367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9889   -1.2397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1456    3.3872    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1241    3.5935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.4950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4348    4.5440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.4950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2619   -2.9950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783   -3.7997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.9950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4133    4.7502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.9950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.4950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.4950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5467    1.6934    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9534    1.1611    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2772   -0.4964    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8704    0.0359    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5663    0.6603    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1596    1.1926    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2575    0.5367    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6643    0.0044    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8359    2.8502    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2426    2.3179    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9880   -1.6531    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5812   -1.1208    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8555    1.8171    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4488    2.3494    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.3751   -1.1524    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1250    4.0069    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5318    3.4746    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1447    2.9738    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7379    3.5061    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4142    5.1636    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8210    4.6313    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   12.5411    4.1435    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.0200    4.8781    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.2854    5.3569    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -4.6150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -2.1850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -3.8050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 17  2  0  0  0  0
  2 18  2  0  0  0  0
  3 11  1  0  0  0  0
  3 14  1  0  0  0  0
  3 17  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4 24  1  0  0  0  0
  4 25  1  0  0  0  0
  5  7  1  0  0  0  0
  5 26  1  0  0  0  0
  5 27  1  0  0  0  0
  6  8  1  0  0  0  0
  6 28  1  0  0  0  0
  6 29  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 12  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
 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 16  1  0  0  0  0
 14 19  2  0  0  0  0
 15 20  1  0  0  0  0
 15 44  1  0  0  0  0
 15 45  1  0  0  0  0
 16 18  1  0  0  0  0
 16 21  2  0  0  0  0
 17 18  1  0  0  0  0
 19 22  1  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
 20 49  1  0  0  0  0
 21 23  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
M  END

$$$$
D00AON
  -OEChem-10101305032D

 50 51  0     0  0  0  0  0  0999 V2000
   15.0583   -0.0448    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603    1.4827    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603   -1.5173    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.1904   -0.5415    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.5550   -0.9128    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5617    0.8231    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.9263    0.4518    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.9827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.4827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    1.4827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.9827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    0.9827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.4827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    1.4827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.9827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942    0.9827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.4827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942   -0.0173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5263    0.9827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5263   -0.0173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603   -0.5173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4202   -0.5520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4202    1.5173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3263   -0.0381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3263    1.0035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9316    0.5077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7287    0.5077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8626    1.9576    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0656    1.9576    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5947    1.9576    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7976    1.9576    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1996    0.5077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9966    0.5077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6636    0.5077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4607    0.5077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1306    1.9576    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3335    1.9576    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3267    1.9576    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5297    1.9576    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4675    0.5077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2646    0.5077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100    2.0196    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    1.7927    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900    0.9457    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2573   -0.3273    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.4131   -1.1720    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.4131    2.1373    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.8620    1.3156    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.4620    0.1398    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.9287    1.0718    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  7  1  0  0  0  0
  2 16  1  0  0  0  0
  2 19  1  0  0  0  0
  3 21  2  0  0  0  0
  4 24  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 10  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 28  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 15  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 38  1  0  0  0  0
 14 39  1  0  0  0  0
 15 17  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
 17 42  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 20  2  0  0  0  0
 19 23  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  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
 23 47  1  0  0  0  0
 24 25  1  0  0  0  0
 25 48  1  0  0  0  0
M  END

$$$$
D00APD
  -OEChem-10101305022D

 31 32  0     0  0  0  0  0  0999 V2000
    2.5369   -2.1311    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6811    1.7809    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0812   -1.9358    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3919    0.6241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0812   -0.3264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -0.6311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3704    0.8304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -1.6311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6648   -1.1311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -0.1311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -2.1311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -0.6311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -1.6311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6596    1.9871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0132    2.5252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3713    1.2438    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7781    0.7115    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3910    0.2107    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9842    0.7430    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2848   -1.1311    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2738   -2.5252    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.4889    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -2.7511    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.3211    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7874    1.3804    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2662    2.1150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5317    2.5938    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4747    2.9392    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5992    2.9866    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5518    2.1111    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.8211    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  1  0  0  0  0
  1 31  1  0  0  0  0
  2  7  1  0  0  0  0
  2 14  1  0  0  0  0
  2 15  1  0  0  0  0
  3  8  1  0  0  0  0
  3  9  1  0  0  0  0
  3 21  1  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  4 16  1  0  0  0  0
  4 17  1  0  0  0  0
  5  6  1  0  0  0  0
  5  9  2  0  0  0  0
  6  8  2  0  0  0  0
  6 10  1  0  0  0  0
  7 18  1  0  0  0  0
  7 19  1  0  0  0  0
  8 11  1  0  0  0  0
  9 20  1  0  0  0  0
 10 12  2  0  0  0  0
 10 22  1  0  0  0  0
 11 13  2  0  0  0  0
 11 23  1  0  0  0  0
 12 13  1  0  0  0  0
 12 24  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 28  1  0  0  0  0
 15 29  1  0  0  0  0
 15 30  1  0  0  0  0
M  END

$$$$
D00AQR
  -OEChem-10191522002D

 37 40  0     0  0  0  0  0  0999 V2000
    5.9618    3.7656    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.0836   -1.9609    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -3.6316    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0080   -0.2341    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0836   -3.5703    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.6719   -1.7588    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.7778   -0.1963    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -1.8996    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8958   -1.7656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0298   -2.2656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7619   -2.2656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0298   -3.2656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8798   -0.7241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7619   -3.2656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8958   -3.7656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5000   -2.7656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9965    0.7658    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6799   -0.7171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1247    1.2558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8567    1.2758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000   -2.7656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1132    2.2557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8451    2.2757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9734    2.7657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.6316    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2988   -3.5756    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8958   -4.3856    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4747   -0.5503    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2180   -0.4092    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5914    0.9396    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3972    0.9720    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5727    2.5594    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3784    2.5919    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3800   -1.8996    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.0116    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3800   -3.6316    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -4.2516    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 24  1  0  0  0  0
  2 10  1  0  0  0  0
  2 16  1  0  0  0  0
  3 21  1  0  0  0  0
  3 25  1  0  0  0  0
  4 13  1  0  0  0  0
  4 17  1  0  0  0  0
  4 28  1  0  0  0  0
  5 12  1  0  0  0  0
  5 16  2  0  0  0  0
  6 11  1  0  0  0  0
  6 18  2  0  0  0  0
  7 13  2  0  0  0  0
  7 18  1  0  0  0  0
  8 21  2  0  0  0  0
  8 34  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
 11 14  1  0  0  0  0
 12 15  1  0  0  0  0
 14 15  2  0  0  0  0
 14 26  1  0  0  0  0
 15 27  1  0  0  0  0
 16 21  1  0  0  0  0
 17 19  2  0  0  0  0
 17 20  1  0  0  0  0
 18 29  1  0  0  0  0
 19 22  1  0  0  0  0
 19 30  1  0  0  0  0
 20 23  2  0  0  0  0
 20 31  1  0  0  0  0
 22 24  2  0  0  0  0
 22 32  1  0  0  0  0
 23 24  1  0  0  0  0
 23 33  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

$$$$
D00ARM
  -OEChem-10101305032D

 43 44  0     1  0  0  0  0  0999 V2000
    4.6823    0.0000    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.5090    5.9449    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3751    8.4449    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7770    6.9449    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1071    7.4449    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6430    8.4449    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2411    5.9449    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1707    1.0933    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9503    1.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9797    2.4945    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4423    0.9653    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4423    3.0347    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5016    1.8364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0016    2.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0843    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8163    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6823    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5484    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8163    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.3751    7.4449    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    7.3484    2.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.2008    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0867    1.3757    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    1.0418    0.4868    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9503    0.3800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2794    2.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6823    3.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0460    6.6349    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8381    7.7549    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8841    1.1671    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8841    2.8329    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9721    5.6349    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9120    8.7549    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2401    7.2549    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6441    7.1349    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 17  1  0  0  0  0
 22  2  1  1  0  0  0
  2 40  1  0  0  0  0
 23  3  1  1  0  0  0
  3 41  1  0  0  0  0
  4 24  1  0  0  0  0
  4 42  1  0  0  0  0
  5 25  1  0  0  0  0
  5 43  1  0  0  0  0
  6 24  2  0  0  0  0
  7 25  2  0  0  0  0
  8 13  1  0  0  0  0
  8 15  1  0  0  0  0
  8 32  1  0  0  0  0
  9 15  1  0  0  0  0
  9 16  1  0  0  0  0
  9 33  1  0  0  0  0
 10 14  1  0  0  0  0
 10 15  2  0  0  0  0
 11 18  2  0  0  0  0
 11 26  1  0  0  0  0
 12 20  2  0  0  0  0
 12 27  1  0  0  0  0
 13 14  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
 16 17  2  0  0  0  0
 16 19  1  0  0  0  0
 17 18  1  0  0  0  0
 18 20  1  0  0  0  0
 19 21  2  0  0  0  0
 19 34  1  0  0  0  0
 20 21  1  0  0  0  0
 21 35  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
 22 36  1  0  0  0  0
 23 25  1  0  0  0  0
 23 37  1  0  0  0  0
 26 27  2  0  0  0  0
 26 38  1  0  0  0  0
 27 39  1  0  0  0  0
M  END

$$$$
D00ASA
  -OEChem-10101305032D

 27 29  0     0  0  0  0  0  0999 V2000
    2.8660    2.7500    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -2.7500    0.0000 O   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
    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
    3.7320    0.2500    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
    4.5981   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2241   -1.7847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2241    0.2847    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
    2.8660   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1301   -1.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1301   -0.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.2500    0.0000 C   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
    7.2169   -2.4046    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2169    0.9046    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    1.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6659   -1.5829    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    1.4631   -0.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    1.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 16  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  8  2  0  0  0  0
  4  6  1  0  0  0  0
  4  8  1  0  0  0  0
  4 10  2  0  0  0  0
  5  7  1  0  0  0  0
  5  9  2  0  0  0  0
  6 11  2  0  0  0  0
  7 12  2  0  0  0  0
  7 13  1  0  0  0  0
  8  9  1  0  0  0  0
  9 19  1  0  0  0  0
 10 14  1  0  0  0  0
 10 20  1  0  0  0  0
 11 15  1  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 15  2  0  0  0  0
 14 24  1  0  0  0  0
 15 25  1  0  0  0  0
 16 18  2  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

$$$$
D00ASH
  -OEChem-10101305032D

 32 32  0     1  0  0  0  0  0999 V2000
    5.4641    3.1900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.6900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    3.1900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.8100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5981    1.6900    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.6900    0.0000 C   0  0  3  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
    3.5981    1.6900    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
    4.5981    2.6900    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   -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
    2.8660   -2.3100    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   -3.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8101    0.1074    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2087    0.7977    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5981    2.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9781    1.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5981    1.0700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9081    1.1531    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9081    2.2269    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -1.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -1.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -2.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.4300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    3.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3800   -3.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -4.4300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6200   -3.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
  1 29  1  0  0  0  0
  2  9  2  0  0  0  0
  3 10  2  0  0  0  0
  4 14  1  0  0  0  0
  4 17  1  0  0  0  0
  5  6  1  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 10  1  0  0  0  0
  7  9  1  0  0  0  0
  7 18  1  0  0  0  0
  7 19  1  0  0  0  0
  8 20  1  0  0  0  0
  8 21  1  0  0  0  0
  8 22  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 12 14  1  0  0  0  0
 12 25  1  0  0  0  0
 13 15  2  0  0  0  0
 13 26  1  0  0  0  0
 14 16  2  0  0  0  0
 15 16  1  0  0  0  0
 15 27  1  0  0  0  0
 16 28  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

$$$$
D00ASL
  -OEChem-10101305022D

 93 97  0     1  0  0  0  0  0999 V2000
    2.5405   -0.5017    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4495    0.4932    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5950   -1.0134    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   10.6612    1.0151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.6612    2.1001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.3193   -0.0001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1815    0.5066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0513    0.0133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9135    0.5199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 23  1  1  1  0  0  0
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 34 35  1  0  0  0  0
 34 85  1  0  0  0  0
 34 86  1  0  0  0  0
 35 36  1  0  0  0  0
 35 87  1  0  0  0  0
 35 88  1  0  0  0  0
 36 37  1  0  0  0  0
 36 89  1  0  0  0  0
 36 90  1  0  0  0  0
 37 91  1  0  0  0  0
 37 92  1  0  0  0  0
 37 93  1  0  0  0  0
M  END

$$$$
D00ASZ
  -OEChem-10101305022D

 47 50  0     1  0  0  0  0  0999 V2000
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   11.7953   -0.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   10.4016    3.3934    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 12  2  1  1  0  0  0
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 14  3  1  1  0  0  0
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 13  6  1  6  0  0  0
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 10 20  1  0  0  0  0
 10 40  1  0  0  0  0
 10 41  1  0  0  0  0
 11 25  1  0  0  0  0
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 12 13  1  0  0  0  0
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 12 28  1  0  0  0  0
 13 29  1  0  0  0  0
 14 15  1  0  0  0  0
 14 30  1  0  0  0  0
 15 16  1  6  0  0  0
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 16 32  1  0  0  0  0
 16 33  1  0  0  0  0
 17 19  2  0  0  0  0
 18 36  1  0  0  0  0
 19 20  1  0  0  0  0
 22 23  1  0  0  0  0
 22 38  1  0  0  0  0
 22 39  1  0  0  0  0
 23 24  1  0  0  0  0
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 23 43  1  0  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
 25 44  1  0  0  0  0
 26 27  2  0  0  0  0
 26 45  1  0  0  0  0
 27 47  1  0  0  0  0
M  END

$$$$
D00ATA
  -OEChem-10101305032D

 26 28  0     0  0  0  0  0  0999 V2000
    6.2619   -1.0089    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783   -1.8136    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3758    1.8654    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.5089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783   -0.2041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.5089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2619   -1.0089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9889    0.7464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.0089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9674    0.9526    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  7  1  0  0  0  0
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  6 11  2  0  0  0  0
  8 10  1  0  0  0  0
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 10 14  2  0  0  0  0
 11 13  1  0  0  0  0
 11 20  1  0  0  0  0
 12 13  2  0  0  0  0
 12 21  1  0  0  0  0
 13 22  1  0  0  0  0
 14 16  1  0  0  0  0
 14 24  1  0  0  0  0
 15 16  2  0  0  0  0
 15 25  1  0  0  0  0
 16 26  1  0  0  0  0
M  END

$$$$
D00AVR
  -OEChem-04152109182D

 33 35  0     0  0  0  0  0  0999 V2000
    5.8772    2.1024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7094   -0.3477    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3701    1.1293    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  1  7  1  0  0  0  0
  1 31  1  0  0  0  0
  2  6  1  0  0  0  0
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  3  7  1  0  0  0  0
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  3 14  1  0  0  0  0
  4 13  1  0  0  0  0
  4 15  2  0  0  0  0
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  5 32  1  0  0  0  0
  6  7  2  0  0  0  0
  6  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 20  1  0  0  0  0
 10 11  1  0  0  0  0
 10 15  1  0  0  0  0
 11 13  1  0  0  0  0
 11 16  2  0  0  0  0
 12 21  1  0  0  0  0
 12 22  1  0  0  0  0
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 13 17  2  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 27  1  0  0  0  0
 16 18  1  0  0  0  0
 16 28  1  0  0  0  0
 17 19  1  0  0  0  0
 17 29  1  0  0  0  0
 18 19  2  0  0  0  0
 18 30  1  0  0  0  0
 19 33  1  0  0  0  0
M  END

$$$$
D00AVS
  BIDD-NUS20110812001D

 20 22  0     0  0            999 V2000
    5.0917   -0.6542    0.0000 C   0  0  0  0  0  0           0  0  0
    4.6042   -1.3250    0.0000 C   0  0  0  0  0  0           0  0  0
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    7.1542    1.4833    0.0000 N   0  0  0  0  0  0           0  0  0
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    2.3917   -0.2500    0.0000 C   0  0  0  0  0  0           0  0  0
    6.3292    0.0583    0.0000 C   0  0  0  0  0  0           0  0  0
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    5.9167    0.7708    0.0000 C   0  0  0  0  0  0           0  0  0
    0.9667   -1.0750    0.0000 C   0  0  0  0  0  0           0  0  0
  2  1  1  0     0  0
  3  1  2  0     0  0
  4  2  1  0     0  0
  5  3  1  0     0  0
  6  1  1  0     0  0
  7  5  2  0     0  0
  8  4  2  0     0  0
  9  3  1  0     0  0
 10  2  2  0     0  0
 11 17  1  0     0  0
 12  8  1  0     0  0
 13  7  1  0     0  0
 14  6  1  0     0  0
 15 12  1  0     0  0
 16 18  1  0     0  0
 17 19  2  0     0  0
 18 14  2  0     0  0
 19 14  1  0     0  0
 20 15  1  0     0  0
  4  5  1  0     0  0
 11 16  2  0     0  0
 12 13  2  0     0  0
M  ENDM  END

$$$$
D00AVT
  -OEChem-10101305022D

 25 25  0     1  0  0  0  0  0999 V2000
    2.0000   -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  2  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
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    3.7320   -0.5000    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
    2.0000    2.5000    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
    3.4030    1.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7880    1.0826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3894    0.3923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3426    0.3923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9441    1.0826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1 11  2  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  6  1  1  0  0  0
  2 12  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  8  1  0  0  0  0
  4 15  1  0  0  0  0
  4 16  1  0  0  0  0
  5  7  1  0  0  0  0
  5 17  1  0  0  0  0
  5 18  1  0  0  0  0
  6  9  1  0  0  0  0
  6 10  2  0  0  0  0
  7  8  2  0  0  0  0
  7 11  1  0  0  0  0
  8 19  1  0  0  0  0
  9 20  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 24  1  0  0  0  0
 11 25  1  0  0  0  0
M  END

$$$$
D00AWM
  -OEChem-10191522122D

 57 61  0     0  0  0  0  0  0999 V2000
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   10.5109   -2.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   11.3769   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   15.4067   -2.3660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   15.9067   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.5157   -2.8940    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
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 17 20  1  0  0  0  0
 18 20  2  0  0  0  0
 18 46  1  0  0  0  0
 19 47  1  0  0  0  0
 20 48  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  2  0  0  0  0
 23 26  1  0  0  0  0
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 25 49  1  0  0  0  0
 26 50  1  0  0  0  0
 27 28  2  0  0  0  0
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 28 51  1  0  0  0  0
 29 32  2  0  0  0  0
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 30 53  1  0  0  0  0
 30 54  1  0  0  0  0
 30 55  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
 32 57  1  0  0  0  0
M  END

$$$$
D00AXT
          01211101132D 1   1.00000     0.00000     0

 37 39  0     0  0            999 V2000
   -2.4236   -8.8799    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.5942   -8.9403    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.1293   -8.2506    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.4929   -7.5041    0.0000 C   0  0  0  0  0  0           0  0  0
   -2.3175   -7.4480    0.0000 C   0  0  0  0  0  0           0  0  0
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   -3.7236   -9.5106    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.0350   -6.8242    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.2117   -6.8789    0.0000 C   0  0  0  0  0  0           0  0  0
    1.0757   -6.5502    0.0000 C   0  0  0  0  0  0           0  0  0
    0.3080   -6.2519    0.0000 C   0  0  0  0  0  0           0  0  0
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    0.0981   -5.4523    0.0000 C   0  0  0  0  0  0           0  0  0
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  7  8  1  0     0  0
 17 18  2  0     0  0
 18 13  1  0     0  0
  4  5  1  0     0  0
 12 19  1  0     0  0
  4  9  1  0     0  0
 17 20  1  0     0  0
  2  3  1  0     0  0
 11 21  1  0     0  0
  9 10  2  0     0  0
 21 22  1  0     0  0
 10 14  1  0     0  0
 22 23  1  0     0  0
  5  6  2  0     0  0
 22 24  2  0     0  0
  6  1  1  0     0  0
 23 25  1  0     0  0
 13 11  1  0     0  0
 25 26  1  0     0  0
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 26 27  1  0     0  0
 12 10  1  0     0  0
 27 28  1  0     0  0
  1  2  2  0     0  0
 28 29  1  0     0  0
  1  7  1  0     0  0
 29 30  1  0     0  0
 13 14  2  0     0  0
 30 31  2  0     0  0
  3  4  2  0     0  0
 30 32  1  0     0  0
 14 15  1  0     0  0
 32 33  1  0     0  0
 33 34  1  0     0  0
 15 16  2  0     0  0
 30 35  1  0     0  0
 35 36  1  0     0  0
 16 17  1  0     0  0
 36 37  1  0     0  0
M  END

$$$$
D00BAJ
  -OEChem-10191522172D

 35 36  0     0  0  0  0  0  0999 V2000
    3.7320   -2.5444    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.5444    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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  1 12  1  0  0  0  0
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  7 21  3  0  0  0  0
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  9 10  1  0  0  0  0
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 10 11  2  0  0  0  0
 10 15  1  0  0  0  0
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 13 23  1  0  0  0  0
 14 24  1  0  0  0  0
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 15 19  2  0  0  0  0
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 17 18  1  0  0  0  0
 18 27  1  0  0  0  0
 19 28  1  0  0  0  0
 20 22  1  0  0  0  0
 20 29  1  0  0  0  0
 20 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
M  END

$$$$
D00BCO
  -OEChem-04152110222D

211216  0     1  0  0  0  0  0999 V2000
   19.6810    2.6366    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    9.9674    3.6849    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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M  END

$$$$
D00BEA
  -OEChem-10191521282D

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M  END

$$$$
D00BEM
  -OEChem-10101305022D

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  1  9  2  0  0  0  0
  2  4  1  0  0  0  0
  2  7  1  0  0  0  0
  2 19  1  0  0  0  0
  3  7  1  0  0  0  0
  3 18  2  0  0  0  0
  4  5  1  0  0  0  0
  4  8  2  0  0  0  0
  5 10  1  0  0  0  0
  5 12  2  0  0  0  0
  6  7  2  0  0  0  0
  6  9  1  0  0  0  0
  6 13  1  0  0  0  0
  8  9  1  0  0  0  0
  8 20  1  0  0  0  0
 10 11  2  0  0  0  0
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 11 14  1  0  0  0  0
 11 16  1  0  0  0  0
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 13 23  1  0  0  0  0
 14 15  2  0  0  0  0
 14 24  1  0  0  0  0
 15 25  1  0  0  0  0
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 16 27  1  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

$$$$
D00BFT
  -OEChem-10191522182D

 14 14  0     1  0  0  0  0  0999 V2000
    3.4483   -1.3365    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  7  1  0  0  0  0
  1 14  1  0  0  0  0
  2  7  2  0  0  0  0
  3  4  1  0  0  0  0
  3  6  1  0  0  0  0
  3 13  1  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  6  0  0  0
  4  8  1  0  0  0  0
  5  6  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
M  END

$$$$
D00BGN
  -OEChem-10101305022D

 21 22  0     0  0  0  0  0  0999 V2000
    2.5369   -0.2694    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -0.2694    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.7690    2.2694    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    3.4030   -1.7694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.0780    1.3184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -2.2694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.5380   -0.5794    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1 20  1  0  0  0  0
  2  8  1  0  0  0  0
  2 21  1  0  0  0  0
  3  6  1  0  0  0  0
  3 13  1  0  0  0  0
  3 14  1  0  0  0  0
  4 11  1  0  0  0  0
  4 13  2  0  0  0  0
  5  6  1  0  0  0  0
  5  7  2  0  0  0  0
  5  8  1  0  0  0  0
  6 11  2  0  0  0  0
  7  9  1  0  0  0  0
  8 10  2  0  0  0  0
  9 12  2  0  0  0  0
  9 15  1  0  0  0  0
 10 12  1  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 19  1  0  0  0  0
M  END

$$$$
D00BIE
  -OEChem-10101305022D

211213  0     1  0  0  0  0  0999 V2000
   12.9292   -4.6900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1972   -0.6900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    8.5991   -3.1900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   20.7235    2.8100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.2594    2.8100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -3.1900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.7235    3.8100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.5895    4.3100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   24.1876    6.8100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   26.7856    4.3100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   14.6613   -3.6900    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.3312   -2.1900    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   17.2594   -3.1900    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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M  END

$$$$
D00BLD
  -OEChem-04152108582D

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   10.0021   -5.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   13.4662   -3.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.1982   -0.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1 30  1  0  0  0  0
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 27  2  1  1  0  0  0
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 28  3  1  6  0  0  0
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 29  4  1  6  0  0  0
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 65 67  1  0  0  0  0
 66 67  2  0  0  0  0
M  ISO  5  75   2  77   2  79   2  81   2  83   2
M  END

$$$$
D00BLY
  -OEChem-10101305022D

 27 27  0     0  0  0  0  0  0999 V2000
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    2.8660    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
  2  9  1  0  0  0  0
  2 13  1  0  0  0  0
  3 14  3  0  0  0  0
  4  6  1  0  0  0  0
  4  7  1  0  0  0  0
  4 15  1  0  0  0  0
  5  8  2  0  0  0  0
  5 10  1  0  0  0  0
  6 18  1  0  0  0  0
  6 19  1  0  0  0  0
  6 20  1  0  0  0  0
  7 16  1  0  0  0  0
  7 17  1  0  0  0  0
  7 21  1  0  0  0  0
  8  9  1  0  0  0  0
  8 22  1  0  0  0  0
  9 11  2  0  0  0  0
 10 12  2  0  0  0  0
 10 23  1  0  0  0  0
 11 12  1  0  0  0  0
 11 14  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 27  1  0  0  0  0
M  END

$$$$
D00BMI
  -OEChem-10101305022D

 14 14  0     0  0  0  0  0  0999 V2000
    3.6750    0.9594    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.6180   -1.1284    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6734   -2.5810    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  5  1  0  0  0  0
  1  6  1  0  0  0  0
  2  9  1  0  0  0  0
  2 10  1  0  0  0  0
  5  9  1  0  0  0  0
  5 11  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  9  2  0  0  0  0
  8 10  2  0  0  0  0
 10 14  1  0  0  0  0
M  END

$$$$
D00BNE
  -OEChem-04152109202D

 55 57  0     1  0  0  0  0  0999 V2000
    4.2690    0.2598    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1196   -1.2810    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   13.8579    0.3323    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.4498    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.2414   -1.1777    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.6373   -1.8695    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9892   -0.0790    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4015    2.3456    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   16.1256    0.0135    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.5735   -3.9144    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 19  2  0  0  0  0
  2 30  2  0  0  0  0
  3 31  1  0  0  0  0
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  5 55  1  0  0  0  0
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 10 18  1  0  0  0  0
 10 23  2  0  0  0  0
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 21 12  1  6  0  0  0
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 13 23  1  0  0  0  0
 13 52  1  0  0  0  0
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 14 15  1  0  0  0  0
 14 16  1  6  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
 16 37  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 20 24  2  0  0  0  0
 20 25  1  0  0  0  0
 21 22  1  0  0  0  0
 21 31  1  0  0  0  0
 21 41  1  0  0  0  0
 22 29  1  0  0  0  0
 22 43  1  0  0  0  0
 22 44  1  0  0  0  0
 24 27  1  0  0  0  0
 24 45  1  0  0  0  0
 25 28  2  0  0  0  0
 25 46  1  0  0  0  0
 26 27  2  0  0  0  0
 26 28  1  0  0  0  0
 26 30  1  0  0  0  0
 27 48  1  0  0  0  0
 28 49  1  0  0  0  0
 29 32  1  0  0  0  0
 29 50  1  0  0  0  0
 29 51  1  0  0  0  0
M  END

$$$$
D00BSX
  -OEChem-10101305022D

 31 33  0     0  0  0  0  0  0999 V2000
    5.5301    1.3419    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7817    1.3765    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2785    1.3765    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0602   -1.6822    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5301   -1.6581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6641   -1.1581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3961   -1.1581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6641   -0.1581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3961   -0.1581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5301    0.3419    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7702   -1.6927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7702    0.3766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2901   -1.6927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8641   -1.1789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2901    0.3766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8641   -0.1372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1962   -1.1789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1962   -0.1372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.6822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1316   -2.1330    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7773   -2.3127    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.3284    0.1748    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7319    0.1748    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6879   -1.1465    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4643   -1.9943    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    9.5984   -1.3743    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  2  0  0  0  0
  2 12  1  0  0  0  0
  2 29  1  0  0  0  0
  3 15  1  0  0  0  0
  3 30  1  0  0  0  0
  4 17  1  0  0  0  0
  4 31  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 20  1  0  0  0  0
  5 21  1  0  0  0  0
  6  8  2  0  0  0  0
  6 11  1  0  0  0  0
  7  9  2  0  0  0  0
  7 13  1  0  0  0  0
  8 10  1  0  0  0  0
  8 12  1  0  0  0  0
  9 10  1  0  0  0  0
  9 15  1  0  0  0  0
 11 14  2  0  0  0  0
 11 22  1  0  0  0  0
 12 16  2  0  0  0  0
 13 17  2  0  0  0  0
 13 23  1  0  0  0  0
 14 16  1  0  0  0  0
 14 19  1  0  0  0  0
 15 18  2  0  0  0  0
 16 24  1  0  0  0  0
 17 18  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
M  END

$$$$
D00BVP
  -OEChem-10101305022D

 41 44  0     0  0  0  0  0  0999 V2000
    6.3301    1.0194    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -1.9806    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.5194    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.9806    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0981   -3.5194    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.4806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.9806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.5194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.9806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -0.4806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    0.5194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.0194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0901   -1.0152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0901    1.0541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.0194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.5194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7891   -2.5684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4071   -2.5684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8660    1.0194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.0981   -3.5194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    3.5194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3860   -0.3980    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9875   -1.0882    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    9.5319   -0.8135    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5319    0.8523    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    3.1394    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.6200    3.5194    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    4.1394    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3800    3.5194    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
  1 11  1  0  0  0  0
  2  9  2  0  0  0  0
  3 23  1  0  0  0  0
  3 25  1  0  0  0  0
  4  7  1  0  0  0  0
  4 17  1  0  0  0  0
  4 18  1  0  0  0  0
  5 18  2  0  0  0  0
  5 24  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  2  0  0  0  0
  6  9  1  0  0  0  0
  7 26  1  0  0  0  0
  7 27  1  0  0  0  0
  8 12  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 13  2  0  0  0  0
 11 14  2  0  0  0  0
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 13 19  1  0  0  0  0
 13 28  1  0  0  0  0
 14 20  1  0  0  0  0
 14 29  1  0  0  0  0
 15 21  1  0  0  0  0
 15 30  1  0  0  0  0
 16 22  2  0  0  0  0
 16 31  1  0  0  0  0
 17 24  2  0  0  0  0
 17 32  1  0  0  0  0
 18 33  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 23  2  0  0  0  0
 21 36  1  0  0  0  0
 22 23  1  0  0  0  0
 22 37  1  0  0  0  0
 24 38  1  0  0  0  0
 25 39  1  0  0  0  0
 25 40  1  0  0  0  0
 25 41  1  0  0  0  0
M  END

$$$$
D00BWZ
  -OEChem-10101305022D

 31 33  0     0  0  0  0  0  0999 V2000
    4.3211    0.5930    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783   -1.1018    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9674    0.0550    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9209    2.7003    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783   -2.7112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2619   -1.9065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.4065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.4065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.9065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.9065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9889   -0.1513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.4065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.4065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2781    1.0055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.6103    1.7498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5673    2.1622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8994    2.9065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1 11  2  0  0  0  0
  2  6  1  0  0  0  0
  2  8  1  0  0  0  0
  2 11  1  0  0  0  0
  3 11  1  0  0  0  0
  3 14  1  0  0  0  0
  3 27  1  0  0  0  0
  4 16  1  0  0  0  0
  4 18  2  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 19  1  0  0  0  0
  5 20  1  0  0  0  0
  6 21  1  0  0  0  0
  6 22  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  2  0  0  0  0
  8 10  2  0  0  0  0
  9 12  1  0  0  0  0
  9 23  1  0  0  0  0
 10 13  1  0  0  0  0
 10 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 15  1  0  0  0  0
 14 16  2  0  0  0  0
 15 17  2  0  0  0  0
 15 28  1  0  0  0  0
 16 29  1  0  0  0  0
 17 18  1  0  0  0  0
 17 30  1  0  0  0  0
 18 31  1  0  0  0  0
M  END

$$$$
D00BXG
  -OEChem-10191522462D

 86 90  0     1  0  0  0  0  0999 V2000
    5.4641   -1.3450    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
    5.4641    5.6550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    4.1550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -7.3450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.3301    1.1550    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -3.3450    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
    7.1962   -0.3450    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.0622    0.1550    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
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   11.2639   -1.6779    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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 18  8  1  1  0  0  0
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 28  9  1  6  0  0  0
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 13 15  1  0  0  0  0
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 17 55  1  0  0  0  0
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 20 24  1  0  0  0  0
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 23 24  2  0  0  0  0
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 28 29  1  0  0  0  0
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 28 68  1  0  0  0  0
 29 35  1  0  0  0  0
 29 69  1  0  0  0  0
 29 70  1  0  0  0  0
 30 36  1  0  0  0  0
 30 71  1  0  0  0  0
 31 37  2  0  0  0  0
 31 72  1  0  0  0  0
 32 38  1  0  0  0  0
 32 73  1  0  0  0  0
 33 39  2  0  0  0  0
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 35 42  2  0  0  0  0
 35 43  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 77  1  0  0  0  0
 39 41  1  0  0  0  0
 39 78  1  0  0  0  0
 40 79  1  0  0  0  0
 42 44  1  0  0  0  0
 42 80  1  0  0  0  0
 43 45  2  0  0  0  0
 43 81  1  0  0  0  0
 44 46  2  0  0  0  0
 44 83  1  0  0  0  0
 45 46  1  0  0  0  0
 45 84  1  0  0  0  0
 46 85  1  0  0  0  0
M  END

$$$$
D00CAF
  -OEChem-04152108442D

 28 29  0     0  0  0  0  0  0999 V2000
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  1  9  2  0  0  0  0
  1 11  1  0  0  0  0
  1 13  1  0  0  0  0
  2 10  2  0  0  0  0
  2 12  1  0  0  0  0
  2 14  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  6  2  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  5 15  1  0  0  0  0
  6 10  1  0  0  0  0
  6 16  1  0  0  0  0
  7 11  2  0  0  0  0
  7 17  1  0  0  0  0
  8 12  2  0  0  0  0
  8 18  1  0  0  0  0
  9 19  1  0  0  0  0
 10 20  1  0  0  0  0
 11 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
 13 25  1  0  0  0  0
 14 26  1  0  0  0  0
 14 27  1  0  0  0  0
 14 28  1  0  0  0  0
M  CHG  2   1   1   2   1
M  END

$$$$
D00CAU
  -OEChem-10101305022D

 54 55  0     1  0  0  0  0  0999 V2000
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  1 11  2  0  0  0  0
  2 20  1  0  0  0  0
  2 21  1  0  0  0  0
  3  6  1  0  0  0  0
  3 11  1  0  0  0  0
  3 37  1  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
  4 10  1  0  0  0  0
  5  6  1  0  0  0  0
  5 24  1  0  0  0  0
  5 25  1  0  0  0  0
  6  8  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 34  1  0  0  0  0
  9 35  1  0  0  0  0
  9 36  1  0  0  0  0
 10 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
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 13 17  1  0  0  0  0
 13 38  1  0  0  0  0
 14 18  2  0  0  0  0
 14 39  1  0  0  0  0
 15 16  1  0  0  0  0
 15 19  1  0  0  0  0
 15 40  1  0  0  0  0
 15 41  1  0  0  0  0
 16 21  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 46  1  0  0  0  0
 18 20  1  0  0  0  0
 18 47  1  0  0  0  0
 19 22  1  0  0  0  0
 19 44  1  0  0  0  0
 19 45  1  0  0  0  0
 21 48  1  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
 22 51  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
M  END

$$$$
D00CCV
  -OEChem-10101305022D

 74 77  0     0  0  0  0  0  0999 V2000
    3.7320   -2.7500    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   -4.7500    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
    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  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
    5.4641    3.2500    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
    2.8660   -3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.4641    1.2500    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
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    4.5981   -7.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0000   -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
    3.5200   -1.1674    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1215   -1.8577    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5422    1.1674    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9407    1.8577    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4082    2.6674    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.6540   -2.6674    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8535    3.3577    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2520    2.6674    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2087   -3.3577    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8101   -2.6674    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2554   -3.3577    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8101   -1.8326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2087   -1.1423    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2520    1.8326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8535    1.1423    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3860    0.3326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9875   -0.3577    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6762   -0.3326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0747    0.3577    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8067    4.1423    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4082    4.8326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2520    4.8326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2554   -4.1423    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6540   -4.8326    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
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    4.8535    4.1423    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
    7.7331    5.9400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.9272    7.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -8.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    8.3700    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
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    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
  1  5  1  0  0  0  0
  1  9  1  0  0  0  0
  1 10  1  0  0  0  0
  2  6  1  0  0  0  0
  2  7  1  0  0  0  0
  2  8  1  0  0  0  0
  3 17  1  0  0  0  0
  3 18  1  0  0  0  0
  3 19  1  0  0  0  0
  4 15  1  0  0  0  0
  4 16  1  0  0  0  0
  4 20  1  0  0  0  0
  5 11  1  0  0  0  0
  5 33  1  0  0  0  0
  5 34  1  0  0  0  0
  6 12  1  0  0  0  0
  6 35  1  0  0  0  0
  6 36  1  0  0  0  0
  7 15  1  0  0  0  0
  7 37  1  0  0  0  0
  7 38  1  0  0  0  0
  8 16  1  0  0  0  0
  8 40  1  0  0  0  0
  8 41  1  0  0  0  0
  9 17  1  0  0  0  0
  9 42  1  0  0  0  0
  9 43  1  0  0  0  0
 10 18  1  0  0  0  0
 10 39  1  0  0  0  0
 10 44  1  0  0  0  0
 11 13  1  0  0  0  0
 11 45  1  0  0  0  0
 11 46  1  0  0  0  0
 12 14  1  0  0  0  0
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 12 48  1  0  0  0  0
 13 14  1  0  0  0  0
 13 49  1  0  0  0  0
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 14 51  1  0  0  0  0
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 15 53  1  0  0  0  0
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 16 55  1  0  0  0  0
 16 60  1  0  0  0  0
 17 58  1  0  0  0  0
 17 59  1  0  0  0  0
 18 56  1  0  0  0  0
 18 57  1  0  0  0  0
 19 22  1  0  0  0  0
 19 24  2  0  0  0  0
 20 21  1  0  0  0  0
 20 23  2  0  0  0  0
 21 25  2  0  0  0  0
 21 62  1  0  0  0  0
 22 26  2  0  0  0  0
 22 61  1  0  0  0  0
 23 28  1  0  0  0  0
 23 64  1  0  0  0  0
 24 27  1  0  0  0  0
 24 63  1  0  0  0  0
 25 29  1  0  0  0  0
 25 32  1  0  0  0  0
 26 30  1  0  0  0  0
 26 31  1  0  0  0  0
 27 30  2  0  0  0  0
 27 65  1  0  0  0  0
 28 29  2  0  0  0  0
 28 66  1  0  0  0  0
 29 68  1  0  0  0  0
 30 67  1  0  0  0  0
 31 72  1  0  0  0  0
 31 73  1  0  0  0  0
 31 74  1  0  0  0  0
 32 69  1  0  0  0  0
 32 70  1  0  0  0  0
 32 71  1  0  0  0  0
M  END

$$$$
D00CDF
  -OEChem-10191521392D

 49 50  0     1  0  0  0  0  0999 V2000
    4.5981    5.2500    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.5981    4.2500    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.5981    4.2500    0.0000 F   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
    6.6962   -1.1160    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.7500    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.8660    4.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603   -5.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    1.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    3.2500    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   11.5263   -3.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -0.2500    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.0622   -0.7500    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
    7.6962    0.6160    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
    5.4641    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
    8.9282   -2.2500    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
    3.7320    2.7500    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
    8.9282   -3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942   -1.7500    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
   10.6603   -3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942   -3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5263   -4.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3923   -5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.0062    1.1530    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    3.1951    1.4400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3913   -3.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942   -1.1300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942   -4.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1972   -1.9400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.0632   -3.4400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.0823   -5.7869    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.9292   -5.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.7023   -4.7131    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 26  1  0  0  0  0
  2 26  1  0  0  0  0
  3 26  1  0  0  0  0
  4 14  1  0  0  0  0
  4 20  1  0  0  0  0
 13  5  1  1  0  0  0
  5 38  1  0  0  0  0
  6 15  2  0  0  0  0
  7 11  1  0  0  0  0
  8 11  2  0  0  0  0
  9 30  2  0  0  0  0
 10 15  1  0  0  0  0
 10 17  1  0  0  0  0
 10 37  1  0  0  0  0
 11 22  1  0  0  0  0
 12 27  1  0  0  0  0
 12 30  1  0  0  0  0
 12 46  1  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
 14 32  1  0  0  0  0
 14 33  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  2  0  0  0  0
 17 21  1  0  0  0  0
 18 19  1  0  0  0  0
 18 39  1  0  0  0  0
 19 22  2  0  0  0  0
 19 26  1  0  0  0  0
 20 24  2  0  0  0  0
 20 25  1  0  0  0  0
 21 23  2  0  0  0  0
 21 40  1  0  0  0  0
 22 23  1  0  0  0  0
 23 41  1  0  0  0  0
 24 28  1  0  0  0  0
 24 42  1  0  0  0  0
 25 29  2  0  0  0  0
 25 43  1  0  0  0  0
 27 28  2  0  0  0  0
 27 29  1  0  0  0  0
 28 44  1  0  0  0  0
 29 45  1  0  0  0  0
 30 31  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
M  CHG  2   7  -1  11   1
M  END

$$$$
D00CDM
  -OEChem-10191522332D

 37 39  0     1  0  0  0  0  0999 V2000
    2.9061    0.8663    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321   -0.6684    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END

$$$$
D00CEN
  -OEChem-10191522182D

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M  END

$$$$
D00CEO
  -OEChem-10101305022D

 25 25  0     0  0  0  0  0  0999 V2000
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    3.1909    0.4876    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7924   -0.2027    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6150   -1.6776    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0135   -0.9873    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -0.7150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3249   -1.0124    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9264   -1.7027    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7130    2.4419    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    2.2150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0930    1.3681    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5380    1.7150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.9050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
  1 25  1  0  0  0  0
  2 11  2  0  0  0  0
  3 13  2  0  0  0  0
  4  7  1  0  0  0  0
  4 13  1  0  0  0  0
  4 18  1  0  0  0  0
  5 11  1  0  0  0  0
  5 13  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 14  1  0  0  0  0
  6 15  1  0  0  0  0
  7  9  2  0  0  0  0
  8 10  1  0  0  0  0
  8 16  1  0  0  0  0
  8 17  1  0  0  0  0
  9 11  1  0  0  0  0
  9 12  1  0  0  0  0
 10 19  1  0  0  0  0
 10 20  1  0  0  0  0
 12 21  1  0  0  0  0
 12 22  1  0  0  0  0
 12 23  1  0  0  0  0
M  END

$$$$
D00CFU
          01201101002D 1   1.00000     0.00000     0

 34 37  0     1  0            999 V2000
   -0.9157   -2.5637    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.9157   -3.2596    0.0000 O   0  0  0  0  0  0           0  0  0
   -1.5953   -1.5213    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.5239   -2.2137    0.0000 N   0  0  3  0  0  0           0  0  0
   -2.1613   -2.4998    0.0000 C   0  0  0  0  0  0           0  0  0
   -2.6272   -1.9802    0.0000 C   0  0  0  0  0  0           0  0  0
   -3.3272   -1.9802    0.0000 C   0  0  0  0  0  0           0  0  0
   -3.6731   -1.3761    0.0000 C   0  0  0  0  0  0           0  0  0
   -3.3272   -0.7719    0.0000 C   0  0  0  0  0  0           0  0  0
   -2.6272   -0.7719    0.0000 C   0  0  0  0  0  0           0  0  0
   -2.2772   -1.3761    0.0000 C   0  0  0  0  0  0           0  0  0
   -5.4228   -0.7719    0.0000 C   0  0  0  0  0  0           0  0  0
   -4.7231   -0.7719    0.0000 C   0  0  0  0  0  0           0  0  0
   -4.3772   -1.3761    0.0000 C   0  0  3  0  0  0           0  0  0
   -4.7231   -1.9802    0.0000 C   0  0  0  0  0  0           0  0  0
   -5.4228   -1.9802    0.0000 C   0  0  0  0  0  0           0  0  0
   -5.7728   -1.3761    0.0000 O   0  0  0  0  0  0           0  0  0
   -0.3158   -2.2137    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.3158   -1.5137    0.0000 C   0  0  0  0  0  0           0  0  0
    0.2926   -1.1679    0.0000 C   0  0  0  0  0  0           0  0  0
    0.8967   -1.5137    0.0000 C   0  0  0  0  0  0           0  0  0
    0.8967   -2.2137    0.0000 C   0  0  0  0  0  0           0  0  0
    0.2926   -2.5637    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.9157   -1.1679    0.0000 O   0  0  0  0  0  0           0  0  0
   -0.9157   -0.4679    0.0000 C   0  0  2  0  0  0           0  0  0
   -1.5239   -0.1238    0.0000 C   0  0  3  0  0  0           0  0  0
   -0.3158   -0.1238    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.1739    0.4804    0.0000 F   0  0  0  0  0  0           0  0  0
   -1.8739   -0.7261    0.0000 F   0  0  0  0  0  0           0  0  0
   -2.1281    0.2262    0.0000 F   0  0  0  0  0  0           0  0  0
    1.5048   -2.5637    0.0000 S   0  0  3  0  0  0           0  0  0
    1.8548   -1.9596    0.0000 O   0  0  0  0  0  0           0  0  0
    1.1548   -3.1719    0.0000 O   0  0  0  0  0  0           0  0  0
    2.1090   -2.9137    0.0000 C   0  0  0  0  0  0           0  0  0
  1  2  2  0     0  0
  4  3  1  0     0  0
  5  4  1  0     0  0
  6  5  1  0     0  0
  7  6  1  0     0  0
  8  7  2  0     0  0
  9  8  1  0     0  0
 10  9  2  0     0  0
 11 10  1  0     0  0
 11  3  1  0     0  0
 11  6  2  0     0  0
 13 12  1  0     0  0
 14 13  1  0     0  0
 15 14  1  0     0  0
 16 15  1  0     0  0
 17 16  1  0     0  0
 17 12  1  0     0  0
  8 14  1  0     0  0
  1  4  1  0     0  0
 19 18  1  0     0  0
 20 19  2  0     0  0
 21 20  1  0     0  0
 22 21  2  0     0  0
 23 22  1  0     0  0
 23 18  2  0     0  0
 26 25  1  0     0  0
 24 25  1  0     0  0
 25 27  1  6     0  0
 26 28  1  0     0  0
 26 29  1  0     0  0
 26 30  1  0     0  0
 19 24  1  0     0  0
 32 31  2  0     0  0
 33 31  2  0     0  0
 31 34  1  0     0  0
 22 31  1  0     0  0
  1 18  1  0     0  0
M  END

$$$$
D00CGJ
  -OEChem-10101305022D

 27 27  0     1  0  0  0  0  0999 V2000
    4.5981   -2.9050    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.0950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    2.5950    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.5950    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.5981    0.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    1.0950    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
    5.4641   -0.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.4050    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   -0.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3860    1.6776    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9875    0.9873    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    1.9050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0201    0.5581    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    0.7850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6401    1.6319    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -0.0950    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    2.9050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9272    2.9050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951   -1.7150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -1.7150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900    0.1319    0.0000 H   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
    2.3100   -0.9419    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  1  0  0  0  0
  2  8  1  0  0  0  0
  2 13  1  0  0  0  0
  3  5  1  0  0  0  0
  3 21  1  0  0  0  0
  3 22  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4 14  1  0  0  0  0
  4 15  1  0  0  0  0
  5  7  1  0  0  0  0
  5 16  1  0  0  0  0
  6  8  2  0  0  0  0
  6  9  1  0  0  0  0
  7 17  1  0  0  0  0
  7 18  1  0  0  0  0
  7 19  1  0  0  0  0
  8 10  1  0  0  0  0
  9 11  2  0  0  0  0
  9 20  1  0  0  0  0
 10 12  2  0  0  0  0
 10 23  1  0  0  0  0
 11 12  1  0  0  0  0
 11 24  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

$$$$
D00CHD
  -OEChem-10101305022D

 61 60  0     0  0  0  0  0  0999 V2000
    7.1962   -4.0600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.7224    3.4400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.9904    3.4400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -2.5600    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.1244   -0.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1244   -1.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9904    0.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.5600    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
   13.2583   -1.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603   -3.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942   -2.5600    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
   14.9904    1.4400    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
   11.5263   -2.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282   -3.0600    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
   13.2583   -2.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3923   -3.0600    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
   15.8564    1.9400    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
   15.8564    2.9400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9123    0.5226    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   14.7349   -0.9523    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.2024   -0.1426    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.6010    0.5477    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9966   -2.0850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    5.0656   -3.5350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8626   -3.5350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.0463   -0.9774    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.6477   -1.6677    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2617   -3.5350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0588   -3.5350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1928   -2.0850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    3.3335   -3.5350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1306   -3.5350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.7783    2.0226    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.3798    1.3323    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   11.9248   -2.0850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1278   -2.0850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    3.2646   -2.0850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   13.7953   -2.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   16.0685    1.3574    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.3100   -3.5969    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.7224    4.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 21  2  0  0  0  0
  2 24  1  0  0  0  0
  2 61  1  0  0  0  0
  3 24  2  0  0  0  0
  4 17  1  0  0  0  0
  4 21  1  0  0  0  0
  4 57  1  0  0  0  0
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  5 26  1  0  0  0  0
  6 10  1  0  0  0  0
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  7 30  1  0  0  0  0
  8  9  1  0  0  0  0
  8 13  1  0  0  0  0
  8 31  1  0  0  0  0
  8 32  1  0  0  0  0
  9 15  1  0  0  0  0
  9 33  1  0  0  0  0
  9 34  1  0  0  0  0
 10 19  1  0  0  0  0
 10 35  1  0  0  0  0
 10 36  1  0  0  0  0
 11 12  1  0  0  0  0
 11 16  1  0  0  0  0
 11 37  1  0  0  0  0
 11 38  1  0  0  0  0
 12 17  1  0  0  0  0
 12 39  1  0  0  0  0
 12 40  1  0  0  0  0
 13 18  1  0  0  0  0
 13 41  1  0  0  0  0
 13 42  1  0  0  0  0
 14 22  1  0  0  0  0
 14 43  1  0  0  0  0
 14 44  1  0  0  0  0
 15 21  1  0  0  0  0
 15 45  1  0  0  0  0
 15 46  1  0  0  0  0
 16 20  1  0  0  0  0
 16 47  1  0  0  0  0
 16 48  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 20  2  0  0  0  0
 19 53  1  0  0  0  0
 20 54  1  0  0  0  0
 22 24  1  0  0  0  0
 22 55  1  0  0  0  0
 22 56  1  0  0  0  0
 23 58  1  0  0  0  0
 23 59  1  0  0  0  0
 23 60  1  0  0  0  0
M  END

$$$$
D00CIW
  -OEChem-10101305022D

 17 17  0     0  0  0  0  0  0999 V2000
    3.0000    0.8450    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    1.8450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0000    0.8450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.8450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -0.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1340   -0.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8660   -0.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1340   -1.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8660   -1.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.0000   -2.7750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.3100    1.3819    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  5  1  0  0  0  0
  2 16  1  0  0  0  0
  3 17  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
  7 12  1  0  0  0  0
  8 10  2  0  0  0  0
  8 13  1  0  0  0  0
  9 10  1  0  0  0  0
  9 14  1  0  0  0  0
 10 15  1  0  0  0  0
M  END

$$$$
D00CJJ
  -OEChem-10101305022D

 31 33  0     0  0  0  0  0  0999 V2000
    6.2619    1.2515    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
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  1 12  1  0  0  0  0
  2  7  1  0  0  0  0
  2  9  1  0  0  0  0
  2 12  1  0  0  0  0
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  3 12  2  0  0  0  0
  4  9  2  0  0  0  0
  4 18  1  0  0  0  0
  5 13  1  0  0  0  0
  5 18  2  0  0  0  0
  6 13  1  0  0  0  0
  6 30  1  0  0  0  0
  6 31  1  0  0  0  0
  7  8  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 11  1  0  0  0  0
 10 14  2  0  0  0  0
 10 15  1  0  0  0  0
 11 13  2  0  0  0  0
 14 16  1  0  0  0  0
 14 24  1  0  0  0  0
 15 17  2  0  0  0  0
 15 25  1  0  0  0  0
 16 19  2  0  0  0  0
 16 26  1  0  0  0  0
 17 19  1  0  0  0  0
 17 27  1  0  0  0  0
 18 28  1  0  0  0  0
 19 29  1  0  0  0  0
M  END

$$$$
D00CKY
  -OEChem-10101305022D

 37 38  0     0  0  0  0  0  0999 V2000
    6.4347    4.3933    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    3.3988    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.5981    1.3988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.6012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.8988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 10 12  1  0  0  0  0
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 10 31  1  0  0  0  0
 11 13  2  0  0  0  0
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 12 17  1  0  0  0  0
 13 15  1  0  0  0  0
 13 32  1  0  0  0  0
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 14 33  1  0  0  0  0
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 16 35  1  0  0  0  0
 18 36  1  0  0  0  0
 19 37  1  0  0  0  0
M  END

$$$$
D00CLB
  -OEChem-10101305022D

 81 84  0     1  0  0  0  0  0999 V2000
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  6 15  1  0  0  0  0
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 14  7  1  1  0  0  0
  7 25  1  0  0  0  0
  7 54  1  0  0  0  0
  8 33  1  0  0  0  0
  8 38  1  0  0  0  0
  8 39  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 40  1  0  0  0  0
 10 12  1  0  0  0  0
 10 41  1  0  0  0  0
 10 42  1  0  0  0  0
 11 43  1  0  0  0  0
 11 44  1  0  0  0  0
 12 45  1  0  0  0  0
 12 46  1  0  0  0  0
 13 16  1  0  0  0  0
 13 47  1  0  0  0  0
 13 48  1  0  0  0  0
 14 15  1  0  0  0  0
 14 17  1  0  0  0  0
 14 50  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 51  1  0  0  0  0
 17 52  1  0  0  0  0
 18 21  1  0  0  0  0
 18 22  1  0  0  0  0
 18 53  1  0  0  0  0
 19 23  1  0  0  0  0
 19 55  1  0  0  0  0
 20 24  2  0  0  0  0
 20 56  1  0  0  0  0
 21 57  1  0  0  0  0
 21 58  1  0  0  0  0
 21 59  1  0  0  0  0
 22 60  1  0  0  0  0
 22 61  1  0  0  0  0
 22 62  1  0  0  0  0
 23 26  2  0  0  0  0
 23 63  1  0  0  0  0
 24 26  1  0  0  0  0
 24 64  1  0  0  0  0
 25 27  1  0  0  0  0
 27 29  2  0  0  0  0
 28 30  1  0  0  0  0
 28 65  1  0  0  0  0
 28 66  1  0  0  0  0
 29 31  1  0  0  0  0
 29 67  1  0  0  0  0
 30 33  1  0  0  0  0
 30 68  1  0  0  0  0
 30 69  1  0  0  0  0
 31 32  1  0  0  0  0
 31 34  2  0  0  0  0
 32 35  2  0  0  0  0
 33 70  1  0  0  0  0
 33 71  1  0  0  0  0
 34 36  1  0  0  0  0
 34 72  1  0  0  0  0
 35 37  1  0  0  0  0
 35 73  1  0  0  0  0
 36 37  2  0  0  0  0
 36 74  1  0  0  0  0
 37 75  1  0  0  0  0
 38 76  1  0  0  0  0
 38 77  1  0  0  0  0
 38 78  1  0  0  0  0
 39 79  1  0  0  0  0
 39 80  1  0  0  0  0
 39 81  1  0  0  0  0
M  END

$$$$
D00CPI
  -OEChem-10101305022D

 36 37  0     0  0  0  0  0  0999 V2000
    2.0000   -3.4400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.5600    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.4400    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    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
    4.5981    0.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.4400    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
    2.8660   -1.9400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.9400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    4.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.9400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.9400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2087    0.9523    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8101    1.6426    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6540    1.6426    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2554    0.9523    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8101   -0.5226    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2087    0.1677    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2554    0.1677    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6540   -0.5226    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5200    3.1426    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1215    2.4523    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8101    2.4774    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2087    3.1677    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -1.6300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -1.6300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2181    4.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    4.6800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9781    4.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -3.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -4.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -4.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 14  1  0  0  0  0
  1 36  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  8  1  0  0  0  0
  3  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  9  1  0  0  0  0
  4  7  1  0  0  0  0
  4 17  1  0  0  0  0
  4 18  1  0  0  0  0
  5  6  1  0  0  0  0
  5 19  1  0  0  0  0
  5 20  1  0  0  0  0
  6 23  1  0  0  0  0
  6 24  1  0  0  0  0
  7 21  1  0  0  0  0
  7 22  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  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
 11 29  1  0  0  0  0
 12 15  2  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
 13 33  1  0  0  0  0
 14 16  2  0  0  0  0
 15 16  1  0  0  0  0
 15 34  1  0  0  0  0
 16 35  1  0  0  0  0
M  END

$$$$
D00CPM
  -OEChem-10101305022D

 32 34  0     0  0  0  0  0  0999 V2000
    9.2619   -0.5528    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3211    1.9468    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783   -1.3575    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2619   -0.5528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.0527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.0528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783    0.2520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2619   -0.5528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.4472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.5528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7619   -1.4188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7619    0.3133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.0527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.0528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9889    1.2025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7619   -1.4188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7619    0.3133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2619   -0.5528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7619   -1.4188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8709   -1.9468    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.0672    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.1728    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4519   -1.9557    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4519    0.8502    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    0.2572    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -1.3627    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5956    1.3304    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0719   -1.9557    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0719    0.8502    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2249   -1.7288    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0719   -1.9557    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2988   -1.1088    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 15  2  0  0  0  0
  3  4  1  0  0  0  0
  3  6  1  0  0  0  0
  3 20  1  0  0  0  0
  4  7  2  0  0  0  0
  4  8  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 10  2  0  0  0  0
  7 15  1  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
  9 21  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 14  2  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 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
 19 30  1  0  0  0  0
 19 31  1  0  0  0  0
 19 32  1  0  0  0  0
M  END

$$$$
D00CQR
  -OEChem-10101305022D

 25 26  0     1  0  0  0  0  0999 V2000
    4.2601   -1.5388    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5202   -0.2788    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7601    0.0000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.9511    0.5878    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.5691    0.5878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2601    1.5388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2601    1.5388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9511   -0.5878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5691   -0.5878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2601   -1.5388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.2788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8181   -0.2517    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8791    0.0508    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1355    0.8400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3249    2.1554    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6536    1.6678    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8665    1.6678    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1953    2.1554    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6411   -0.0508    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3847   -0.8400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6536   -1.6678    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3249   -2.1554    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8084    0.8684    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4103    0.0872    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1916   -0.3109    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  9  2  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3  8  1  0  0  0  0
  3  9  1  0  0  0  0
  4  6  1  0  0  0  0
  4 11  1  0  0  0  0
  4 12  1  0  0  0  0
  5  7  1  0  0  0  0
  5 13  1  0  0  0  0
  5 14  1  0  0  0  0
  6  7  1  0  0  0  0
  6 15  1  0  0  0  0
  6 16  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
 10 21  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 25  1  0  0  0  0
M  END

$$$$
D00CQT
  -OEChem-10101305022D

 26 27  0     0  0  0  0  0  0999 V2000
    2.0000   -0.3450    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.8450    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -1.8450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    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
    5.4641   -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
    7.1962    0.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.8450    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    0.6550    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
    8.0901   -0.8797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0901    1.1897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9962   -0.3658    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9962    0.6758    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   -0.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1996   -1.3200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9966   -1.3200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0829   -1.4996    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0829    1.8096    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5319   -0.6779    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5319    0.9879    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.2750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7932   -2.1550    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  9  1  0  0  0  0
  3 26  1  0  0  0  0
  4 11  2  0  0  0  0
  5 12  2  0  0  0  0
  6  9  2  0  0  0  0
  6 10  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 13  2  0  0  0  0
  8 12  1  0  0  0  0
  8 14  2  0  0  0  0
 10 17  1  0  0  0  0
 10 19  1  0  0  0  0
 10 20  1  0  0  0  0
 11 12  1  0  0  0  0
 13 15  1  0  0  0  0
 13 21  1  0  0  0  0
 14 16  1  0  0  0  0
 14 22  1  0  0  0  0
 15 16  2  0  0  0  0
 15 23  1  0  0  0  0
 16 24  1  0  0  0  0
 17 18  2  0  0  0  0
 17 25  1  0  0  0  0
M  END

$$$$
D00CRA
  -OEChem-10191521312D

 28 29  0     0  0  0  0  0  0999 V2000
    2.5369    0.0103    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0812   -1.7944    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  1 13  1  0  0  0  0
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  2  6  1  0  0  0  0
  2  8  1  0  0  0  0
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  3  9  1  0  0  0  0
  3 26  1  0  0  0  0
  3 27  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  2  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
  7 15  1  0  0  0  0
  7 16  1  0  0  0  0
  8 11  1  0  0  0  0
  9 18  1  0  0  0  0
  9 19  1  0  0  0  0
 10 13  2  0  0  0  0
 10 20  1  0  0  0  0
 11 14  2  0  0  0  0
 11 21  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 14  1  0  0  0  0
 14 25  1  0  0  0  0
M  END

$$$$
D00CUZ
  -OEChem-10191521262D

 47 50  0     0  0  0  0  0  0999 V2000
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    3.9491    4.6058    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.5365    1.2279    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  9 29  1  0  0  0  0
  9 30  1  0  0  0  0
 10 31  1  0  0  0  0
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 11 33  1  0  0  0  0
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 13 37  1  0  0  0  0
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 15 17  1  0  0  0  0
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 17 21  2  0  0  0  0
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 19 40  1  0  0  0  0
 21 24  1  0  0  0  0
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 23 24  2  0  0  0  0
 23 44  1  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
 26 47  1  0  0  0  0
M  ISO  3  37   3  38   3  39   3
M  END

$$$$
D00CVB
  -OEChem-10101305022D

 28 29  0     1  0  0  0  0  0999 V2000
    4.5411   -1.2153    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    5.8144   -2.8709    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7320    3.3725    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8660    1.8725    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    2.9230   -1.2153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.6275    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.2320   -2.1664    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    2.8660    0.8725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7320    2.3725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1 10  1  0  0  0  0
  1 11  1  0  0  0  0
  8  2  1  1  0  0  0
  2 24  1  0  0  0  0
  3 12  1  0  0  0  0
  3 28  1  0  0  0  0
  4 13  2  0  0  0  0
  5 16  2  0  0  0  0
 10  6  1  6  0  0  0
  6 13  1  0  0  0  0
  6 14  1  0  0  0  0
  7 13  1  0  0  0  0
  7 16  1  0  0  0  0
  7 26  1  0  0  0  0
  8  9  1  0  0  0  0
  8 11  1  0  0  0  0
  8 17  1  0  0  0  0
  9 10  1  0  0  0  0
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  9 20  1  0  0  0  0
 10 18  1  0  0  0  0
 11 12  1  6  0  0  0
 11 21  1  0  0  0  0
 12 22  1  0  0  0  0
 12 23  1  0  0  0  0
 14 15  2  0  0  0  0
 14 25  1  0  0  0  0
 15 16  1  0  0  0  0
 15 27  1  0  0  0  0
M  END

$$$$
D00CVD
  -OEChem-10191522262D

 40 42  0     0  0  0  0  0  0999 V2000
    4.5981   -2.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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 21 24  2  0  0  0  0
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 22 37  1  0  0  0  0
 22 38  1  0  0  0  0
 22 39  1  0  0  0  0
 23 24  1  0  0  0  0
 24 40  1  0  0  0  0
M  END

$$$$
D00CWH
  -OEChem-10101305022D

 26 25  0     1  0  0  0  0  0999 V2000
    3.7320    1.4050    0.0000 O   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
    2.8660   -0.0950    0.0000 N   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
    4.5981   -0.0950    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.3301    0.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9641   -0.4610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9641    1.2710    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
    2.0000    0.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -0.4050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1  9  2  0  0  0  0
  2  5  1  0  0  0  0
  2 21  1  0  0  0  0
  2 22  1  0  0  0  0
  3  9  1  0  0  0  0
  3 10  1  0  0  0  0
  3 23  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  5 11  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
  7 15  1  0  0  0  0
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  7 17  1  0  0  0  0
  8 18  1  0  0  0  0
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  8 20  1  0  0  0  0
 10 24  1  0  0  0  0
 10 25  1  0  0  0  0
 10 26  1  0  0  0  0
M  END

$$$$
D00CWN
  -OEChem-04152109532D

 29 31  0     0  0  0  0  0  0999 V2000
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  1 14  1  0  0  0  0
  1 28  1  0  0  0  0
  2 18  1  0  0  0  0
  2 29  1  0  0  0  0
  3  5  1  0  0  0  0
  3  6  2  0  0  0  0
  4  5  2  0  0  0  0
  4  8  1  0  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6  7  1  0  0  0  0
  6  9  1  0  0  0  0
  7 12  2  0  0  0  0
  7 13  1  0  0  0  0
  8  9  2  0  0  0  0
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 10 14  2  0  0  0  0
 10 21  1  0  0  0  0
 11 15  2  0  0  0  0
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 13 17  2  0  0  0  0
 13 24  1  0  0  0  0
 14 15  1  0  0  0  0
 15 25  1  0  0  0  0
 16 18  2  0  0  0  0
 16 26  1  0  0  0  0
 17 18  1  0  0  0  0
 17 27  1  0  0  0  0
M  END

$$$$
D00CYF
  -OEChem-04152110222D

227234  0     1  0  0  0  0  0999 V2000
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   17.5991   -0.3384    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   13.2462   -6.0619    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7604   -5.7481    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.3995   -4.5433    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   14.9257    6.3368    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4820    6.9618    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.5614    4.0341    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.4908   -5.1961    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   21.4094    2.5416    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END

$$$$
D00CYX
  -OEChem-10101305022D

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M  END

$$$$
D00DBR
  -OEChem-04152109072D

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    5.4641    2.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0611    1.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7741    1.5231    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    2.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1541    2.5969    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -1.1300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -2.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  2  0  0  0  0
  2  7  1  0  0  0  0
  3  7  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  9  1  0  0  0  0
  5 13  1  0  0  0  0
  5 15  1  0  0  0  0
  6  9  1  0  0  0  0
  6 12  2  0  0  0  0
  7 10  1  0  0  0  0
  8 12  1  0  0  0  0
  8 19  1  0  0  0  0
  8 20  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  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  CHG  2   2  -1   7   1
M  END

$$$$
D00DBV
  -OEChem-10191522242D

 11 10  0     0  0  0  0  0  0999 V2000
    3.4030   -1.0600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.4400    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    0.4400    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -0.0600    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
    4.2690    1.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8250   -0.5969    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6720   -0.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4450    0.4769    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
    2.5369    1.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  2  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  5  1  0  0  0  0
  3 10  1  0  0  0  0
  3 11  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
M  END

$$$$
D00DDH
  -OEChem-10101305022D

 46 46  0     1  0  0  0  0  0999 V2000
    6.5661   -0.4375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.2381    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.2619    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1013    1.2098    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.2381    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4071    0.8497    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.0981    1.8008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0981    1.8008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7891    0.8497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3582    0.5407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.7381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.2381    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.0524    0.9008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7955    1.5699    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.8660   -0.7381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7465    1.2609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5876    2.5481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.2381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4897    1.9300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5041    0.2373    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7045    1.9297    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0333    2.4174    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1629    2.4174    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4916    1.9297    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2227    1.1019    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4791    0.3128    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -1.5481    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2058    1.7615    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7613    0.3534    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5409    0.5191    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9724    1.8163    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2646   -0.2631    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4675   -0.2631    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4555    0.7135    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2351    0.8792    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1940    2.6770    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4587    3.1545    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9811    2.4192    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951   -2.5481    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -2.5481    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -0.7011    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -1.5481    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   -1.7750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9046    1.4693    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9504    2.3449    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0748    2.3908    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  2  0  0  0  0
  2 11  2  0  0  0  0
  3  6  1  0  0  0  0
  3  9  1  0  0  0  0
  3 11  1  0  0  0  0
  4 10  1  0  0  0  0
  4 13  1  0  0  0  0
  4 31  1  0  0  0  0
 12  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 10  1  1  0  0  0
  6 20  1  0  0  0  0
  7  8  1  0  0  0  0
  7 21  1  0  0  0  0
  7 22  1  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 25  1  0  0  0  0
  9 26  1  0  0  0  0
 11 12  1  0  0  0  0
 12 15  1  0  0  0  0
 12 27  1  0  0  0  0
 13 14  1  0  0  0  0
 13 29  1  0  0  0  0
 13 30  1  0  0  0  0
 14 16  1  0  0  0  0
 14 17  1  1  0  0  0
 14 28  1  0  0  0  0
 15 18  1  0  0  0  0
 15 32  1  0  0  0  0
 15 33  1  0  0  0  0
 16 19  1  0  0  0  0
 16 34  1  0  0  0  0
 16 35  1  0  0  0  0
 17 36  1  0  0  0  0
 17 37  1  0  0  0  0
 17 38  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 44  1  0  0  0  0
 19 45  1  0  0  0  0
 19 46  1  0  0  0  0
M  END

$$$$
D00DDJ
  -OEChem-10101305022D

 42 45  0     0  0  0  0  0  0999 V2000
    2.8070    1.1801    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5390    1.1801    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2711    2.1801    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6730   -0.3199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8368   -1.7682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9819   -2.2033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5092   -1.7682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5092   -0.8027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9819   -1.1580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8368   -0.8027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6730   -2.0710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8876   -2.6801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.2510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6730    0.6801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4050    0.6801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5390    2.1801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2711    1.1801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4050    2.6801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1016   -1.9509    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8478   -2.8086    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8912   -2.3858    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6247   -0.2201    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2262   -0.9103    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6383   -0.6420    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3885   -1.3375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1198   -0.9103    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7212   -0.2201    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5782   -3.2174    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4127   -3.0097    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3030   -2.5685    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0430   -2.5685    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5188   -1.8601    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8068   -2.8401    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0065    0.2052    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8036    0.2052    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3270    2.7627    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9284    2.0724    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4831    0.5975    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8816    1.2878    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8036    3.1551    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0065    3.1551    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8080    2.4901    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 14  2  0  0  0  0
  2 14  1  0  0  0  0
  2 15  1  0  0  0  0
  2 16  1  0  0  0  0
  3 17  1  0  0  0  0
  3 18  1  0  0  0  0
  3 42  1  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
  4 14  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  5 13  1  0  0  0  0
  5 21  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 20  1  0  0  0  0
  7  8  1  0  0  0  0
  7 11  1  0  0  0  0
  7 12  1  0  0  0  0
  7 19  1  0  0  0  0
  8 26  1  0  0  0  0
  8 27  1  0  0  0  0
  9 24  1  0  0  0  0
  9 25  1  0  0  0  0
 10 22  1  0  0  0  0
 10 23  1  0  0  0  0
 11 30  1  0  0  0  0
 11 31  1  0  0  0  0
 12 28  1  0  0  0  0
 12 29  1  0  0  0  0
 13 32  1  0  0  0  0
 13 33  1  0  0  0  0
 15 17  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 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 40  1  0  0  0  0
 18 41  1  0  0  0  0
M  END

$$$$
D00DDO
  -OEChem-10101305022D

 26 27  0     0  0  0  0  0  0999 V2000
    2.5369   -1.3100    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    0.6900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    2.1900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    2.1900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -0.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -1.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    0.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -1.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    0.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -0.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -2.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -0.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -2.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331   -1.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331   -2.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    1.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6720    0.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -1.9300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -2.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -0.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -3.4300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2700   -1.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2700   -2.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.3800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    2.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  0  0  0  0
  2 10  1  0  0  0  0
  2 25  1  0  0  0  0
  3 17  1  0  0  0  0
  3 26  1  0  0  0  0
  4 17  2  0  0  0  0
  5  6  1  0  0  0  0
  5  7  2  0  0  0  0
  5  9  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 18  1  0  0  0  0
  8 10  2  0  0  0  0
  8 17  1  0  0  0  0
  9 11  2  0  0  0  0
  9 19  1  0  0  0  0
 10 11  1  0  0  0  0
 12 14  1  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 16  2  0  0  0  0
 14 22  1  0  0  0  0
 15 16  1  0  0  0  0
 15 23  1  0  0  0  0
 16 24  1  0  0  0  0
M  END

$$$$
D00DDT
  -OEChem-10101305032D

 33 33  0     1  0  0  0  0  0999 V2000
    2.8660   -2.7500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.7500    0.0000 C   0  0  3  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
    2.8660    0.2500    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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    2.8660    3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8660   -1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    2.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1 14  1  0  0  0  0
  2  3  1  0  0  0  0
  2  7  1  0  0  0  0
  2  8  1  0  0  0  0
  3  4  1  0  0  0  0
  3  6  1  0  0  0  0
  3 15  1  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  9  2  0  0  0  0
  5 10  1  0  0  0  0
  6 18  1  0  0  0  0
  6 19  1  0  0  0  0
  6 20  1  0  0  0  0
  7 21  1  0  0  0  0
  7 22  1  0  0  0  0
  7 23  1  0  0  0  0
  8 24  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
 10 12  2  0  0  0  0
 10 28  1  0  0  0  0
 11 13  2  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
 14 31  1  0  0  0  0
 14 32  1  0  0  0  0
 14 33  1  0  0  0  0
M  END

$$$$
D00DEH
  -OEChem-10101305032D

 38 40  0     0  0  0  0  0  0999 V2000
    2.0000   -0.8100    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.8100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    2.1900    0.0000 N   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    0.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    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
    8.0622    1.6900    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   -1.3100    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
    6.3301   -2.3100    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
    7.1962   -2.8100    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   -0.8100    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
    2.8660   -1.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8660   -2.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6592   -0.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7196    0.7977    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1181    0.1074    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2742    0.1074    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6728    0.7977    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    8.2742    2.2726    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    8.5991   -1.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7320   -0.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.3291   -2.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 18  1  0  0  0  0
  2 10  1  0  0  0  0
  2 15  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  3 30  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4  9  1  0  0  0  0
  4 21  1  0  0  0  0
  5  7  1  0  0  0  0
  5 22  1  0  0  0  0
  5 23  1  0  0  0  0
  6  8  1  0  0  0  0
  6 24  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 11  2  0  0  0  0
 10 12  2  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 14  2  0  0  0  0
 13 33  1  0  0  0  0
 14 34  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
 16 35  1  0  0  0  0
 17 19  2  0  0  0  0
 17 36  1  0  0  0  0
 18 20  2  0  0  0  0
 19 20  1  0  0  0  0
 19 37  1  0  0  0  0
 20 38  1  0  0  0  0
M  END

$$$$
D00DFR
  -OEChem-10101305022D

 43 45  0     1  0  0  0  0  0999 V2000
    5.4641   -1.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -0.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282   -1.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -1.7500    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.1962   -1.2500    0.0000 C   0  0  1  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
    8.0622   -1.7500    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
    8.0622   -2.7500    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
    8.0622    0.2500    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
    8.0622    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -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
    7.1962    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.2500    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
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    8.0622    3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.0622    3.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  4  1  1  1  0  0  0
  1 10  1  0  0  0  0
  5  2  1  6  0  0  0
  2 11  1  0  0  0  0
  3  7  2  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4 24  1  0  0  0  0
  5  7  1  0  0  0  0
  5 25  1  0  0  0  0
  6  8  1  0  0  0  0
  6 26  1  0  0  0  0
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  7  9  1  0  0  0  0
  8  9  2  0  0  0  0
  8 28  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  2  0  0  0  0
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 13 16  2  0  0  0  0
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 14 34  1  0  0  0  0
 15 19  2  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  2  0  0  0  0
 17 37  1  0  0  0  0
 18 22  2  0  0  0  0
 18 38  1  0  0  0  0
 19 22  1  0  0  0  0
 19 39  1  0  0  0  0
 20 23  2  0  0  0  0
 20 40  1  0  0  0  0
 21 23  1  0  0  0  0
 21 41  1  0  0  0  0
 22 42  1  0  0  0  0
 23 43  1  0  0  0  0
M  END

$$$$
D00DHM
  -OEChem-02041521362D

 54 57  0     1  0  0  0  0  0999 V2000
    4.6000    2.9430    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    7.3958   -3.2541    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    4.6077    0.9430    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
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    7.2578   -1.6055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 10 13  2  0  0  0  0
 10 17  1  0  0  0  0
 11 33  1  0  0  0  0
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 12 15  2  0  0  0  0
 13 14  1  0  0  0  0
 14 18  2  0  0  0  0
 15 21  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 19  2  0  0  0  0
 17 39  1  0  0  0  0
 18 19  1  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
 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 24  1  0  0  0  0
 22 25  1  0  0  0  0
 23 46  1  0  0  0  0
 23 47  1  0  0  0  0
 23 48  1  0  0  0  0
 24 49  1  0  0  0  0
 24 50  1  0  0  0  0
 24 51  1  0  0  0  0
 25 52  1  0  0  0  0
 25 53  1  0  0  0  0
 25 54  1  0  0  0  0
M  END

$$$$
D00DHV
  -OEChem-10101305022D

 27 29  0     0  0  0  0  0  0999 V2000
    4.6783   -1.0053    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.1900    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    2.1900    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.3100    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  1 11  1  0  0  0  0
  1 15  1  0  0  0  0
  2  6  1  0  0  0  0
  2  7  1  0  0  0  0
  2 10  1  0  0  0  0
  3  8  1  0  0  0  0
  3  9  1  0  0  0  0
  3 24  1  0  0  0  0
  4 10  2  0  0  0  0
  4 14  1  0  0  0  0
  5 12  1  0  0  0  0
  5 14  2  0  0  0  0
  6  8  1  0  0  0  0
  6 16  1  0  0  0  0
  6 17  1  0  0  0  0
  7  9  1  0  0  0  0
  7 18  1  0  0  0  0
  7 19  1  0  0  0  0
  8 20  1  0  0  0  0
  8 21  1  0  0  0  0
  9 22  1  0  0  0  0
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 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  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 27  1  0  0  0  0
M  END

$$$$
D00DIF
  -OEChem-10191522032D

 44 46  0     0  0  0  0  0  0999 V2000
    7.0468   -0.4420    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3147   -0.4420    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    3.4782   -1.4365    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    8.7788   -0.4420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9128    1.0580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7788    1.5580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6448    0.0580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6448    1.0580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1808    0.0580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.4487    0.0580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3147    1.5580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6691   -0.0353    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3147    2.5580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.7784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.2554    0.1657    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   10.2554    0.9503    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
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  6 22  1  0  0  0  0
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  8 25  1  0  0  0  0
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  9 11  1  0  0  0  0
  9 29  1  0  0  0  0
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 10 11  1  0  0  0  0
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 15 17  1  0  0  0  0
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 21 43  1  0  0  0  0
 21 44  1  0  0  0  0
M  END

$$$$
D00DJC
          07091100302D 1   1.00000     0.00000     0

 30 33  0     0  0            999 V2000
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   -1.7958   -1.2667    0.0000 C   0  0  0  0  0  0           0  0  0
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   -2.5782    0.0896    0.0000 C   0  0  3  0  0  0           0  0  0
    0.5504   -1.7177    0.0000 C   0  0  0  0  0  0           0  0  0
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   -3.3622   -0.3667    0.0000 C   0  0  0  0  0  0           0  0  0
   -2.5806    0.9937    0.0000 C   0  0  0  0  0  0           0  0  0
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 14 15  1  0     0  0
  1  2  1  0     0  0
 15 16  2  0     0  0
 16 11  1  0     0  0
  4  8  1  0     0  0
 10 17  2  0     0  0
  1  6  1  0     0  0
 17 18  1  0     0  0
  8  9  1  0     0  0
 18 19  2  0     0  0
  2  3  1  0     0  0
 19 20  1  0     0  0
  7 10  1  0     0  0
 20 21  2  0     0  0
 21 10  1  0     0  0
  3  4  1  0     0  0
  9 22  2  0     0  0
  7 11  1  0     0  0
 22 23  1  0     0  0
  4  5  1  0     0  0
 23 24  2  0     0  0
 11 12  2  0     0  0
 24 25  1  0     0  0
  5  6  1  0     0  0
 25 26  2  0     0  0
 26  9  1  0     0  0
 12 13  1  0     0  0
 19 27  1  0     0  0
 14 28  1  0     0  0
 13 14  2  0     0  0
 23 29  1  0     0  0
  1  7  1  0     0  0
 24 30  1  0     0  0
M  END

$$$$
D00DJE
  -OEChem-10101305022D

 35 38  0     0  0  0  0  0  0999 V2000
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    5.0749    1.2646    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    4.1671   -0.3302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9718   -1.7241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000   -1.0673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0000   -1.9333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5000   -1.0673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  4  1  0  0  0  0
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  1 26  1  0  0  0  0
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  2 18  1  0  0  0  0
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 10 12  1  0  0  0  0
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 11 14  1  0  0  0  0
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 19 20  2  0  0  0  0
 19 34  1  0  0  0  0
 20 35  1  0  0  0  0
M  END

$$$$
D00DJX
  -OEChem-10101305022D

 67 72  0     1  0  0  0  0  0999 V2000
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    7.4560    4.6652    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6735   -0.2566    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   12.8189   -2.4973    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   10.8575   -4.8404    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   13.3431   -3.9324    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5684   -5.1727    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   11.8267   -1.0776    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   10.1422   -1.1983    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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 31 62  1  0  0  0  0
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 33 34  1  0  0  0  0
 33 64  1  0  0  0  0
 35 36  1  0  0  0  0
 35 65  1  0  0  0  0
M  END

$$$$
D00DLU
  -OEChem-10121501582D

 50 51  0     1  0  0  0  0  0999 V2000
    5.4641   -4.0950    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -4.0950    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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    3.5981    4.4050    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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    4.5981    5.4050    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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    5.5981    4.4050    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7320   -5.0950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1 29  1  0  0  0  0
  2 30  1  0  0  0  0
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 18 20  1  0  0  0  0
 18 38  1  0  0  0  0
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 22 43  1  0  0  0  0
 23 27  2  0  0  0  0
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 26 44  1  0  0  0  0
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 27 30  1  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 31  1  0  0  0  0
 30 31  2  0  0  0  0
M  END

$$$$
D00DNT
  -OEChem-10101305022D

 53 54  0     1  0  0  0  0  0999 V2000
    2.0000   -4.6900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.6900    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.8660   -3.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8660   -4.1900    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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M  END

$$$$
D00DNY
  -OEChem-10101305022D

 33 36  0     0  0  0  0  0  0999 V2000
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M  END

$$$$
D00DPX
  -OEChem-10191521402D

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 17 23  2  0  0  0  0
 17 24  1  0  0  0  0
 19 21  2  0  0  0  0
 19 25  1  0  0  0  0
 20 28  2  0  0  0  0
 20 29  1  0  0  0  0
 21 26  1  0  0  0  0
 22 27  1  0  0  0  0
 22 48  1  0  0  0  0
 22 49  1  0  0  0  0
 23 32  1  0  0  0  0
 23 51  1  0  0  0  0
 24 33  2  0  0  0  0
 24 52  1  0  0  0  0
 25 30  2  0  0  0  0
 25 53  1  0  0  0  0
 26 31  2  0  0  0  0
 26 54  1  0  0  0  0
 27 55  1  0  0  0  0
 27 56  1  0  0  0  0
 28 35  1  0  0  0  0
 28 57  1  0  0  0  0
 29 36  2  0  0  0  0
 29 58  1  0  0  0  0
 30 31  1  0  0  0  0
 31 59  1  0  0  0  0
 32 34  2  0  0  0  0
 32 60  1  0  0  0  0
 33 34  1  0  0  0  0
 33 61  1  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 65  1  0  0  0  0
 38 66  1  0  0  0  0
 38 67  1  0  0  0  0
 38 68  1  0  0  0  0
 39 69  1  0  0  0  0
 39 70  1  0  0  0  0
 39 71  1  0  0  0  0
M  END

$$$$
D00DQZ
  -OEChem-10101305022D

 45 45  0     0  0  0  0  0  0999 V2000
    7.1962    4.5000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -3.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    4.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    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
    4.5981   -1.0000    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
    3.7320   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    3.0000    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
    7.1962    3.5000    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   -4.5000    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
    2.0000   -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
    2.8660   -6.0000    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
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    1.4631   -5.8100    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
    2.8660   -6.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    8.0622    6.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4422    6.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 14  1  0  0  0  0
  1 21  1  0  0  0  0
  2 12  2  0  0  0  0
  3 13  2  0  0  0  0
  4 21  2  0  0  0  0
  5 13  1  0  0  0  0
  5 15  1  0  0  0  0
  5 37  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
  6 24  1  0  0  0  0
  7  9  1  0  0  0  0
  7 25  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 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
 14 35  1  0  0  0  0
 14 36  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
 16 38  1  0  0  0  0
 17 19  2  0  0  0  0
 17 39  1  0  0  0  0
 18 20  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 42  1  0  0  0  0
 21 22  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
M  END

$$$$
D00DSE
  -OEChem-10101305032D

 34 36  0     0  0  0  0  0  0999 V2000
    2.8660    4.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.5000    0.0000 N   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
    4.5981    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
    5.4641   -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
    5.4641    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
    4.5981    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
    5.4641    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
    2.8660   -2.0000    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
    4.5981    4.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0000   -2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8101   -2.5826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1 16  1  0  0  0  0
  2 19  2  0  0  0  0
  2 20  1  0  0  0  0
  3  4  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  6  1  0  0  0  0
  4 21  1  0  0  0  0
  4 22  1  0  0  0  0
  5  9  2  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6 14  2  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
  8 10  2  0  0  0  0
  8 24  1  0  0  0  0
  9 25  1  0  0  0  0
 10 26  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 12 16  1  0  0  0  0
 12 27  1  0  0  0  0
 13 17  2  0  0  0  0
 13 28  1  0  0  0  0
 14 19  1  0  0  0  0
 14 29  1  0  0  0  0
 15 20  2  0  0  0  0
 15 30  1  0  0  0  0
 16 18  2  0  0  0  0
 17 18  1  0  0  0  0
 17 31  1  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
M  END

$$$$
D00DSG
          03301101152D 1   1.00000     0.00000     0

 32 36  0     0  0            999 V2000
    5.5736   -7.5000    0.0000 C   0  0  0  0  0  0           0  0  0
    5.5724   -8.2107    0.0000 C   0  0  0  0  0  0           0  0  0
    6.1872   -8.5652    0.0000 C   0  0  0  0  0  0           0  0  0
    6.1854   -7.1455    0.0000 C   0  0  0  0  0  0           0  0  0
    6.7966   -7.4963    0.0000 C   0  0  0  0  0  0           0  0  0
    6.7977   -8.2070    0.0000 C   0  0  0  0  0  0           0  0  0
    7.4127   -8.5599    0.0000 N   0  0  0  0  0  0           0  0  0
    8.0271   -8.2031    0.0000 C   0  0  0  0  0  0           0  0  0
    7.5507   -6.4499    0.0000 N   0  0  0  0  0  0           0  0  0
    7.4071   -7.1400    0.0000 C   0  0  0  0  0  0           0  0  0
    8.0200   -7.4893    0.0000 C   0  0  0  0  0  0           0  0  0
    8.2482   -6.3714    0.0000 C   0  0  0  0  0  0           0  0  0
    8.5386   -7.0119    0.0000 C   0  0  0  0  0  0           0  0  0
    9.2370   -7.0797    0.0000 C   0  0  0  0  0  0           0  0  0
    9.6457   -6.5076    0.0000 C   0  0  0  0  0  0           0  0  0
    9.3511   -5.8661    0.0000 C   0  0  0  0  0  0           0  0  0
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    4.9602   -7.1457    0.0000 O   0  0  0  0  0  0           0  0  0
    4.9588   -8.5645    0.0000 O   0  0  0  0  0  0           0  0  0
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    9.7606   -5.2881    0.0000 C   0  0  0  0  0  0           0  0  0
   10.1666   -4.6708    0.0000 N   0  0  0  0  0  0           0  0  0
    3.7319   -8.5638    0.0000 C   0  0  0  0  0  0           0  0  0
    3.1187   -8.2093    0.0000 C   0  0  0  0  0  0           0  0  0
    2.5050   -8.5631    0.0000 N   0  0  3  0  0  0           0  0  0
    1.8909   -8.2097    0.0000 C   0  0  0  0  0  0           0  0  0
    1.2791   -8.5605    0.0000 C   0  0  0  0  0  0           0  0  0
    1.2750   -9.2691    0.0000 N   0  0  3  0  0  0           0  0  0
    1.8881   -9.6255    0.0000 C   0  0  0  0  0  0           0  0  0
    2.5053   -9.2733    0.0000 C   0  0  0  0  0  0           0  0  0
    0.6601   -9.6206    0.0000 C   0  0  0  0  0  0           0  0  0
    4.3467   -7.4998    0.0000 C   0  0  0  0  0  0           0  0  0
 14 15  2  0     0  0
  1  2  2  0     0  0
 15 16  1  0     0  0
  7  8  2  0     0  0
 16 17  2  0     0  0
 17 12  1  0     0  0
  8 11  1  0     0  0
  1 18  1  0     0  0
 10  5  1  0     0  0
 10 11  2  0     0  0
  2 19  1  0     0  0
  5  4  2  0     0  0
 19 20  1  0     0  0
  4  1  1  0     0  0
 16 21  1  0     0  0
 21 22  3  0     0  0
  9 10  1  0     0  0
 20 23  1  0     0  0
 11 13  1  0     0  0
 23 24  1  0     0  0
 12  9  1  0     0  0
 24 25  1  0     0  0
 25 26  1  0     0  0
  2  3  1  0     0  0
  5  6  1  0     0  0
 12 13  2  0     0  0
  3  6  2  0     0  0
 13 14  1  0     0  0
 25 30  1  0     0  0
 26 27  1  0     0  0
 27 28  1  0     0  0
 28 29  1  0     0  0
 29 30  1  0     0  0
  6  7  1  0     0  0
 28 31  1  0     0  0
 18 32  1  0     0  0
M  END

$$$$
D00DSQ
  -OEChem-10101305022D

 34 35  0     0  0  0  0  0  0999 V2000
   12.9292    1.3100    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    8.5991    0.8100    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    1.3100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331   -0.6900    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651   -0.6900    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.1972   -0.6900    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -0.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -0.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -0.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    0.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -0.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    1.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -0.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991   -0.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    0.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3312   -0.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3312    0.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1972    1.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0632    0.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0632   -0.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6025   -1.1650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3996   -1.1650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2656    0.2849    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4685    0.2849    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331   -1.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6720    1.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -1.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    1.9300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651   -1.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942    1.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1972    1.9300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.6002   -0.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 19  1  0  0  0  0
  2 14  2  0  0  0  0
  3 15  1  0  0  0  0
  3 34  1  0  0  0  0
  4  8  1  0  0  0  0
  4 14  1  0  0  0  0
  4 25  1  0  0  0  0
  5 14  1  0  0  0  0
  5 16  1  0  0  0  0
  5 30  1  0  0  0  0
  6 16  2  0  0  0  0
  6 20  1  0  0  0  0
  7  8  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 23  1  0  0  0  0
  8 24  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 10 12  1  0  0  0  0
 10 26  1  0  0  0  0
 11 13  2  0  0  0  0
 11 27  1  0  0  0  0
 12 15  2  0  0  0  0
 12 28  1  0  0  0  0
 13 15  1  0  0  0  0
 13 29  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  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 20  2  0  0  0  0
 20 33  1  0  0  0  0
M  END

$$$$
D00DSW
  -OEChem-10101305032D

 56 60  0     0  0  0  0  0  0999 V2000
    7.2437    1.3091    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.7159    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -4.2841    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.7841    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9073    1.9477    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.5765    2.6909    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.4128    2.9183    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.2841    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    9.4073    1.0817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4900    2.2841    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3855    1.2896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0006    0.1682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9128    2.0523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3560    2.7841    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    1.7159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4347    2.7104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0061    0.0636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5884   -0.6409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2221    2.2841    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3560    3.7841    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5993   -0.8499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1816   -1.5544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.2159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6915    3.3795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1871   -1.6589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0881    2.7841    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2221    4.2841    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0881    3.7841    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.2159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.2841    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.2841    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.7841    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.7841    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.7841    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -2.7841    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -3.2841    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8462    0.8748    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6416    0.5652    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2050   -0.5760    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.2221    1.6641    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8191    4.0941    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9827   -0.9147    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5461   -2.0560    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    7.9349   -2.2253    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.6250    2.4741    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.2221    4.9041    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.6250    4.0941    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.0611    0.0259    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951   -1.4741    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -1.4741    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -3.0941    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -3.9041    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  1  0  0  0  0
  1 15  1  0  0  0  0
  2 23  2  0  0  0  0
  3  8  1  0  0  0  0
  4  8  2  0  0  0  0
  5  6  1  0  0  0  0
  5  9  1  0  0  0  0
  5 13  1  0  0  0  0
  6 10  2  0  0  0  0
  7 13  2  0  0  0  0
  7 16  1  0  0  0  0
  8 34  1  0  0  0  0
  9 11  2  0  0  0  0
  9 12  1  0  0  0  0
 10 11  1  0  0  0  0
 10 14  1  0  0  0  0
 11 37  1  0  0  0  0
 12 17  2  0  0  0  0
 12 18  1  0  0  0  0
 14 19  2  0  0  0  0
 14 20  1  0  0  0  0
 15 16  2  0  0  0  0
 15 23  1  0  0  0  0
 16 24  1  0  0  0  0
 17 21  1  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 26  1  0  0  0  0
 19 40  1  0  0  0  0
 20 27  2  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 25  1  0  0  0  0
 22 43  1  0  0  0  0
 23 29  1  0  0  0  0
 24 44  1  0  0  0  0
 24 45  1  0  0  0  0
 24 46  1  0  0  0  0
 25 47  1  0  0  0  0
 26 28  2  0  0  0  0
 26 48  1  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  2  0  0  0  0
 29 51  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 52  1  0  0  0  0
 32 34  1  0  0  0  0
 32 53  1  0  0  0  0
 33 35  2  0  0  0  0
 33 54  1  0  0  0  0
 34 36  2  0  0  0  0
 35 36  1  0  0  0  0
 35 55  1  0  0  0  0
 36 56  1  0  0  0  0
M  CHG  2   3  -1   8   1
M  END

$$$$
D00DUJ
  -OEChem-10101305022D

 33 36  0     0  0  0  0  0  0999 V2000
    5.5321   -2.7846    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000    1.2154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000    0.2154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660    1.7154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660   -0.2846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321    1.2154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.6660   -1.2846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9061    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9061   -0.3193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6500    2.7569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4421    1.7222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0000    0.1946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5480    3.2846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.8000   -1.7846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321   -1.7846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000   -2.7846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.2631   -1.4746    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0690   -1.4746    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2631   -3.0946    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660   -3.9046    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 18  1  0  0  0  0
  1 20  2  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  9  2  0  0  0  0
  3  5  1  0  0  0  0
  3 10  2  0  0  0  0
  4  6  1  0  0  0  0
  4 11  2  0  0  0  0
  5  7  2  0  0  0  0
  5  8  1  0  0  0  0
  6  7  1  0  0  0  0
  6 12  2  0  0  0  0
  7 21  1  0  0  0  0
  8 17  1  0  0  0  0
  8 18  2  0  0  0  0
  9 13  1  0  0  0  0
  9 22  1  0  0  0  0
 10 14  1  0  0  0  0
 10 23  1  0  0  0  0
 11 15  1  0  0  0  0
 11 24  1  0  0  0  0
 12 16  1  0  0  0  0
 12 25  1  0  0  0  0
 13 14  2  0  0  0  0
 13 26  1  0  0  0  0
 14 27  1  0  0  0  0
 15 16  2  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 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
M  END

$$$$
D00DXB
  -OEChem-10101305022D

 27 27  0     1  0  0  0  0  0999 V2000
    2.5369    0.2500    0.0000 S   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 O   0  0  0  0  0  0  0  0  0  0  0  0
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    5.1350   -0.2500    0.0000 C   0  0  3  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
    4.2690    0.2500    0.0000 C   0  0  3  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
    6.8671   -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
    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
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    5.6025    0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    7.0791    0.3326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0791   -1.8326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    3.4030    2.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  0  0  0  0
  1 26  1  0  0  0  0
  2 12  1  0  0  0  0
  2 27  1  0  0  0  0
  3 12  2  0  0  0  0
  4  8  1  0  0  0  0
  4 10  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  8  1  0  0  0  0
  5 13  1  0  0  0  0
  6  9  1  0  0  0  0
  6 14  1  0  0  0  0
  6 15  1  0  0  0  0
  7 11  1  0  0  0  0
  7 12  1  0  0  0  0
  7 16  1  0  0  0  0
  8 17  1  0  0  0  0
  8 18  1  0  0  0  0
  9 10  1  0  0  0  0
  9 19  1  0  0  0  0
  9 20  1  0  0  0  0
 10 21  1  0  0  0  0
 10 22  1  0  0  0  0
 11 24  1  0  0  0  0
 11 25  1  0  0  0  0
M  END

$$$$
D00DXI
  -OEChem-04152110352D

 40 41  0     0  0  0  0  0  0999 V2000
    3.7320    2.0950    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    3.0950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7320    1.0950    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
    3.7320   -0.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7320   -1.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.3312   -2.0950    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  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
  2 37  1  0  0  0  0
  5 21  1  0  0  0  0
  5 40  1  0  0  0  0
  6  7  2  0  0  0  0
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  8 38  1  0  0  0  0
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 10 13  1  0  0  0  0
 10 15  1  0  0  0  0
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 13 24  1  0  0  0  0
 14 25  1  0  0  0  0
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 16 29  1  0  0  0  0
 16 30  1  0  0  0  0
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 17 20  1  0  0  0  0
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 18 23  1  0  0  0  0
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 20 32  1  0  0  0  0
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 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
M  END

$$$$
D00DXV
  -OEChem-10101305032D

 62 65  0     1  0  0  0  0  0999 V2000
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   12.6323   -0.4172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7663    5.0828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.1463    5.0828    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 26  1  0  0  0  0
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 10 15  1  0  0  0  0
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 16 12  1  6  0  0  0
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 20 22  2  0  0  0  0
 20 24  1  0  0  0  0
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 23 25  1  0  0  0  0
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 24 28  2  0  0  0  0
 25 48  1  0  0  0  0
 25 49  1  0  0  0  0
 26 29  2  0  0  0  0
 27 30  1  0  0  0  0
 27 31  2  0  0  0  0
 28 29  1  0  0  0  0
 28 50  1  0  0  0  0
 30 33  2  0  0  0  0
 30 34  1  0  0  0  0
 31 51  1  0  0  0  0
 33 35  1  0  0  0  0
 33 52  1  0  0  0  0
 34 36  2  0  0  0  0
 34 53  1  0  0  0  0
 35 37  2  0  0  0  0
 35 55  1  0  0  0  0
 36 37  1  0  0  0  0
 36 56  1  0  0  0  0
 38 57  1  0  0  0  0
 38 58  1  0  0  0  0
 38 59  1  0  0  0  0
 39 60  1  0  0  0  0
 39 61  1  0  0  0  0
 39 62  1  0  0  0  0
M  CHG  2  10  -1  15   1
M  END

$$$$
D00DZY
  -OEChem-10101305022D

 39 41  0     0  0  0  0  0  0999 V2000
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    2.5369   -1.0000    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
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  1 14  1  0  0  0  0
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  7 22  1  0  0  0  0
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  8 26  1  0  0  0  0
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 10 11  1  0  0  0  0
 10 12  2  0  0  0  0
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 13 32  1  0  0  0  0
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 15 33  1  0  0  0  0
 16 34  1  0  0  0  0
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 17 35  1  0  0  0  0
 18 20  2  0  0  0  0
 18 36  1  0  0  0  0
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 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

$$$$
D00ECV
  -OEChem-10101305032D

 60 62  0     1  0  0  0  0  0999 V2000
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 35 59  1  0  0  0  0
 35 60  1  0  0  0  0
M  ISO  1  35  11
M  END

$$$$
D00EEU
  -OEChem-10101305022D

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M  END

$$$$
D00EFA
  -OEChem-10191522392D

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M  END

$$$$
D00EHP
  -OEChem-10191522132D

 38 39  0     0  0  0  0  0  0999 V2000
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    3.7320   -3.6739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.1427    3.3095    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1120   -3.6739    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.3520   -3.6739    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  4  1  0  0  0  0
  1  5  1  0  0  0  0
  4  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  6 12  1  0  0  0  0
  6 15  1  0  0  0  0
  7 13  2  0  0  0  0
  7 16  1  0  0  0  0
  8 11  2  0  0  0  0
  8 17  1  0  0  0  0
  9 10  2  0  0  0  0
  9 20  1  0  0  0  0
 10 11  1  0  0  0  0
 10 18  1  0  0  0  0
 11 21  1  0  0  0  0
 12 14  2  0  0  0  0
 12 22  1  0  0  0  0
 13 14  1  0  0  0  0
 13 23  1  0  0  0  0
 14 19  1  0  0  0  0
 15 24  1  0  0  0  0
 15 25  1  0  0  0  0
 15 26  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
 18 33  1  0  0  0  0
 18 34  1  0  0  0  0
 18 35  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
M  END

$$$$
D00EIL
  -OEChem-10111523082D

 40 43  0     0  0  0  0  0  0999 V2000
    3.4030   -0.5986    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.5309   -1.5986    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9030   -1.4646    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9030    0.2675    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8365    0.1891    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.9473   -2.4033    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -0.0986    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -1.0986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9473   -0.7938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2364    0.3629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6415    1.2707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6357    1.1627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -2.0986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2579    0.1567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9734   -0.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -0.5986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5309   -1.5986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -1.0986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -2.5986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2380    2.1856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -2.0986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2263    1.9697    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7479   -0.2223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8286    2.9926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8227    2.8846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8439    0.6182    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9065   -0.9206    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    0.0214    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1399   -2.9926    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -3.2186    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6216    2.2526    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.4086    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8427    1.9028    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4928   -0.7874    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3130   -0.4775    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0030    0.3427    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5783    3.5599    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1889    3.3850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.4086    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    0.5214    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 18  1  0  0  0  0
  2 17  2  0  0  0  0
  5 12  1  0  0  0  0
  5 15  1  0  0  0  0
  5 23  1  0  0  0  0
  6 13  1  0  0  0  0
  6 17  1  0  0  0  0
  6 29  1  0  0  0  0
  7 39  1  0  0  0  0
  7 40  1  0  0  0  0
  8  9  1  0  0  0  0
  8 13  2  0  0  0  0
  8 16  1  0  0  0  0
  9 14  2  0  0  0  0
  9 17  1  0  0  0  0
 10 11  1  0  0  0  0
 10 14  1  0  0  0  0
 10 15  2  0  0  0  0
 11 12  1  0  0  0  0
 11 20  2  0  0  0  0
 12 22  2  0  0  0  0
 13 19  1  0  0  0  0
 14 26  1  0  0  0  0
 15 27  1  0  0  0  0
 16 18  2  0  0  0  0
 16 28  1  0  0  0  0
 18 21  1  0  0  0  0
 19 21  2  0  0  0  0
 19 30  1  0  0  0  0
 20 24  1  0  0  0  0
 20 31  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

$$$$
D00EJS
  -OEChem-10191521332D

 17 18  0     0  0  0  0  0  0999 V2000
    2.5369   -1.1970    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0812    0.6077    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -0.6970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    0.3030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0812   -1.0018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -1.1970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.8030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6648   -0.1970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -0.6970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    0.3030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2738   -1.5911    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2738    1.1970    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -1.8170    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    1.4230    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2848   -0.1970    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.6130    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.8870    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  1 17  1  0  0  0  0
  2  4  1  0  0  0  0
  2  8  1  0  0  0  0
  2 12  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  3  6  1  0  0  0  0
  4  7  1  0  0  0  0
  5  8  2  0  0  0  0
  5 11  1  0  0  0  0
  6  9  2  0  0  0  0
  6 13  1  0  0  0  0
  7 10  2  0  0  0  0
  7 14  1  0  0  0  0
  8 15  1  0  0  0  0
  9 10  1  0  0  0  0
 10 16  1  0  0  0  0
M  END

$$$$
D00EMF
  -OEChem-10191522412D

 47 50  0     0  0  0  0  0  0999 V2000
    2.0000   -2.0633    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.1871   -0.5637    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0761    2.7003    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5443   -2.2585    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8335   -1.1018    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7870    1.5436    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.7010    2.3684    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5443   -3.8680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1279   -3.0633    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -3.5633    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.5633    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -4.0633    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.0633    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.5633    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8550   -1.3080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.5633    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -4.0633    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1441   -0.1513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1226    0.0550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4763    0.5930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4333    1.0055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7654    1.7498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0546    2.9065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7225    2.1622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.3438    4.0633    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0116    3.3190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2933   -4.4349    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    6.5888   -2.6485    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -4.6833    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.4433    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -3.5263    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -4.3733    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   -4.6002    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2475   -1.5632    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5367   -0.4065    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8696    0.4652    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0400    1.1333    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9512    4.3185    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8225    1.4043    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2192    0.6224    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0011    1.0191    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5364    4.6526    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.6183    3.4468    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 16  1  0  0  0  0
  2 15  2  0  0  0  0
  3 22  1  0  0  0  0
  3 23  1  0  0  0  0
  4  9  1  0  0  0  0
  4 11  1  0  0  0  0
  4 15  1  0  0  0  0
  5 15  1  0  0  0  0
  5 18  1  0  0  0  0
  5 38  1  0  0  0  0
  6 20  1  0  0  0  0
  6 22  2  0  0  0  0
  7 24  1  0  0  0  0
  7 28  2  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 31  1  0  0  0  0
  9 32  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 11 13  1  0  0  0  0
 12 14  2  0  0  0  0
 12 33  1  0  0  0  0
 13 16  2  0  0  0  0
 13 34  1  0  0  0  0
 14 16  1  0  0  0  0
 14 17  1  0  0  0  0
 17 35  1  0  0  0  0
 17 36  1  0  0  0  0
 17 37  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 39  1  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 24  2  0  0  0  0
 23 25  1  0  0  0  0
 24 26  1  0  0  0  0
 25 27  2  0  0  0  0
 25 42  1  0  0  0  0
 26 43  1  0  0  0  0
 26 44  1  0  0  0  0
 26 45  1  0  0  0  0
 27 28  1  0  0  0  0
 27 46  1  0  0  0  0
 28 47  1  0  0  0  0
M  END

$$$$
D00EMH
  -OEChem-10191522012D

 74 78  0     1  0  0  0  0  0999 V2000
   14.3654    1.9320    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   12.6218   -1.0613    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.8492   -0.7133    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0388    2.7016    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.0897   -0.0746    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0388    0.9695    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5388    1.8356    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.4476   -0.1540    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.8936   -0.0546    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.6256   -0.0613    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.7654    1.4420    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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 29 30  1  0  0  0  0
 29 64  1  0  0  0  0
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 33 66  1  0  0  0  0
 35 36  2  0  0  0  0
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 36 40  1  0  0  0  0
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 38 41  2  0  0  0  0
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 39 41  1  0  0  0  0
 39 69  1  0  0  0  0
 41 70  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

$$$$
D00ENC
  -OEChem-10101305032D

 16 15  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
    6.8671    0.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -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
    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
    5.1350    0.2500    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
    3.4030   -0.6000    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
    3.4030    1.8700    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
    4.2690   -0.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    0.8700    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
    7.4040   -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 15  1  0  0  0  0
  2  8  1  0  0  0  0
  2 16  1  0  0  0  0
  3  8  2  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  5 12  1  0  0  0  0
  6  7  2  0  0  0  0
  6 13  1  0  0  0  0
  7  8  1  0  0  0  0
  7 14  1  0  0  0  0
M  END

$$$$
D00ENR
  -OEChem-10101305022D

 35 37  0     0  0  0  0  0  0999 V2000
    6.4144    1.3765    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660    1.3419    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9176    1.3765    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1923    1.3661    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660   -1.6581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321   -1.1581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321   -0.1581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000   -1.1581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000   -0.1581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660    0.3419    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4260    0.3766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4260   -1.6927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3321   -0.1372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9061   -1.6927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.9061    0.3766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1962    0.3661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.1789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.2675   -2.1330    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   10.2403   -0.1630    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 31  1  0  0  0  0
  2 10  2  0  0  0  0
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  3 35  1  0  0  0  0
  4 17  2  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  5 22  1  0  0  0  0
  5 23  1  0  0  0  0
  6  7  2  0  0  0  0
  6 12  1  0  0  0  0
  7 10  1  0  0  0  0
  7 11  1  0  0  0  0
  8  9  2  0  0  0  0
  8 14  1  0  0  0  0
  9 10  1  0  0  0  0
  9 16  1  0  0  0  0
 11 13  2  0  0  0  0
 12 15  2  0  0  0  0
 12 24  1  0  0  0  0
 13 15  1  0  0  0  0
 13 17  1  0  0  0  0
 14 18  2  0  0  0  0
 14 26  1  0  0  0  0
 15 25  1  0  0  0  0
 16 19  2  0  0  0  0
 17 20  1  0  0  0  0
 18 19  1  0  0  0  0
 18 27  1  0  0  0  0
 19 28  1  0  0  0  0
 20 21  1  0  0  0  0
 20 29  1  0  0  0  0
 20 30  1  0  0  0  0
 21 32  1  0  0  0  0
 21 33  1  0  0  0  0
 21 34  1  0  0  0  0
M  END

$$$$
D00EOD
  -OEChem-10101305022D

 49 51  0     1  0  0  0  0  0999 V2000
    7.8055    1.6854    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2682   -2.1436    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8810   -0.1158    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3190    3.3565    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9704   -3.3565    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3728    0.6502    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5802    1.5899    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    5.8658    0.0578    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0394    1.0426    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8055    1.6854    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.3055   -1.1502    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.7558   -1.5932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5258    2.3781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 21 38  1  0  0  0  0
 21 39  1  0  0  0  0
 22 40  1  0  0  0  0
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 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
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 25 43  1  0  0  0  0
 25 44  1  0  0  0  0
 25 45  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
 27 48  1  0  0  0  0
 27 49  1  0  0  0  0
M  END

$$$$
D00EOP
  -OEChem-10191521362D

 49 52  0     1  0  0  0  0  0999 V2000
    8.4023    3.9304    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.6227   -0.1629    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   10.0659    4.5690    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 27 47  1  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

$$$$
D00EPD
  -OEChem-10101305032D

 24 25  0     0  0  0  0  0  0999 V2000
    5.1350    1.5000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    0.5000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.4030    0.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1 10  1  0  0  0  0
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 10 13  2  0  0  0  0
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 13 15  1  0  0  0  0
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 14 21  1  0  0  0  0
 15 22  1  0  0  0  0
 16 17  1  0  0  0  0
 16 23  1  0  0  0  0
M  END

$$$$
D00EPL
  -OEChem-10101305022D

 43 47  0     0  0  0  0  0  0999 V2000
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 22 41  1  0  0  0  0
 23 24  2  0  0  0  0
 23 42  1  0  0  0  0
 24 43  1  0  0  0  0
M  END

$$$$
D00EPM
  -OEChem-10191522502D

 28 29  0     0  0  0  0  0  0999 V2000
    8.9282    3.5000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -3.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.0000    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
    7.1962    1.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.5000    0.0000 N   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
    3.7320   -1.5000    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
    6.3301    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
    5.4641    0.5000    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   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    3.0000    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
    8.0622    3.0000    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
    2.8660   -3.0000    0.0000 C   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
    3.1951   -1.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -1.1900    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
    4.5981   -3.6200    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
    7.1962    4.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991    1.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 18  1  0  0  0  0
  2 14  1  0  0  0  0
  3 13  2  0  0  0  0
  4  8  1  0  0  0  0
  4 13  1  0  0  0  0
  4 21  1  0  0  0  0
  5 11  1  0  0  0  0
  5 13  1  0  0  0  0
  5 24  1  0  0  0  0
  6 11  2  0  0  0  0
  6 19  1  0  0  0  0
  7 20  3  0  0  0  0
  8  9  1  0  0  0  0
  8 10  2  0  0  0  0
  9 12  2  0  0  0  0
  9 22  1  0  0  0  0
 10 14  1  0  0  0  0
 10 23  1  0  0  0  0
 11 16  1  0  0  0  0
 12 15  1  0  0  0  0
 12 20  1  0  0  0  0
 14 15  2  0  0  0  0
 15 25  1  0  0  0  0
 16 17  2  0  0  0  0
 16 26  1  0  0  0  0
 17 18  1  0  0  0  0
 17 27  1  0  0  0  0
 18 19  2  0  0  0  0
 19 28  1  0  0  0  0
M  END

$$$$
D00ERW
  -OEChem-10191521542D

 50 53  0     0  0  0  0  0  0999 V2000
    7.7852    1.4762    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.3781    4.5639    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.3211   -0.5238    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7071   -3.8346    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7603   -2.2310    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0532    2.4762    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0532   -1.5238    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0532   -2.9381    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3801   -3.3864    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6460   -4.3784    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6872    5.5150    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2407   -5.5150    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7071   -1.4204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.1275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7071   -1.4204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.1275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1872   -0.0238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0532   -0.5238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0532    1.4762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1872    0.9762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9192   -0.0238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9192    0.9762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1872    2.9762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4142   -3.1275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1872    3.9762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7603   -2.2310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0872   -2.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6658   -4.1117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9962    4.5639    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3615   -3.6574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6872    5.5150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9532   -4.8134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8676   -0.8216    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1702   -1.1104    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -1.5906    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4011   -2.2880    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5838   -2.0280    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2781   -1.6620    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4011   -2.9671    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -3.6645    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6502    1.2861    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4561   -0.3338    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5901    2.7862    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5766    3.0838    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9751    2.3935    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4804   -1.7611    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2136   -3.5369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5858    4.3724    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9616   -3.8132    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3227    6.0166    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 22  1  0  0  0  0
  2 25  1  0  0  0  0
  2 31  1  0  0  0  0
  3 15  1  0  0  0  0
  3 17  1  0  0  0  0
  4 16  1  0  0  0  0
  4 24  1  0  0  0  0
  5 26  2  0  0  0  0
  6 19  1  0  0  0  0
  6 23  1  0  0  0  0
  6 43  1  0  0  0  0
  7 18  1  0  0  0  0
  7 26  1  0  0  0  0
  7 46  1  0  0  0  0
  8 26  1  0  0  0  0
  8 27  1  0  0  0  0
  8 47  1  0  0  0  0
  9 24  2  0  0  0  0
  9 27  1  0  0  0  0
 10 28  2  0  0  0  0
 10 30  1  0  0  0  0
 11 29  1  0  0  0  0
 11 31  2  0  0  0  0
 12 32  3  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 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 18  1  0  0  0  0
 17 20  2  0  0  0  0
 18 21  2  0  0  0  0
 19 20  1  0  0  0  0
 19 22  2  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
 23 25  1  0  0  0  0
 23 44  1  0  0  0  0
 23 45  1  0  0  0  0
 24 28  1  0  0  0  0
 25 29  2  0  0  0  0
 27 30  2  0  0  0  0
 28 32  1  0  0  0  0
 29 48  1  0  0  0  0
 30 49  1  0  0  0  0
 31 50  1  0  0  0  0
M  END

$$$$
D00ESG
  -OEChem-10101305022D

 29 30  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
    2.8660   -0.5600    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.4400    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.0600    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.9400    0.0000 N   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
    3.7320   -0.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.9400    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
    2.8660   -1.5600    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
    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
    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
    1.3894    0.0477    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7880   -0.6426    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9441   -0.6426    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3426    0.0477    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7880    1.5226    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.3426    0.8323    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
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    3.7320    3.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    2.6300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8660   -4.1800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  2  0  0  0  0
  2  6  1  0  0  0  0
  2  7  1  0  0  0  0
  2 10  1  0  0  0  0
  3  8  1  0  0  0  0
  3  9  1  0  0  0  0
  3 11  1  0  0  0  0
  4 10  1  0  0  0  0
  4 14  2  0  0  0  0
  5 11  1  0  0  0  0
  5 26  1  0  0  0  0
  5 27  1  0  0  0  0
  6  8  1  0  0  0  0
  6 16  1  0  0  0  0
  6 17  1  0  0  0  0
  7  9  1  0  0  0  0
  7 18  1  0  0  0  0
  7 19  1  0  0  0  0
  8 20  1  0  0  0  0
  8 21  1  0  0  0  0
  9 22  1  0  0  0  0
  9 23  1  0  0  0  0
 10 12  2  0  0  0  0
 12 13  1  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 15  1  0  0  0  0
 14 28  1  0  0  0  0
 15 29  1  0  0  0  0
M  END

$$$$
D00EUD
  -OEChem-10101305022D

 30 30  0     1  0  0  0  0  0999 V2000
    2.8660   -2.6550    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.8450    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.8450    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.8660    1.3450    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
    2.8660    0.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.1550    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
    2.0000   -1.1550    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
    2.8660   -1.6550    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
    4.2690    2.1550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6540    1.9276    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2554    1.2373    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1996    0.8701    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9966    0.8701    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7741    1.3081    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    2.1550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1541    2.3819    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    3.1550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951    3.1550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    0.1550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.1550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -1.4650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -1.4650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -2.6181    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
    2.3100   -3.6919    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  1  0  0  0  0
  1 13  1  0  0  0  0
  2  3  1  0  0  0  0
  2 22  1  0  0  0  0
  2 23  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3 14  1  0  0  0  0
  4  6  1  0  0  0  0
  4 15  1  0  0  0  0
  4 16  1  0  0  0  0
  5  7  1  0  0  0  0
  5 17  1  0  0  0  0
  5 18  1  0  0  0  0
  6  8  2  0  0  0  0
  6  9  1  0  0  0  0
  7 19  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 24  1  0  0  0  0
  9 11  2  0  0  0  0
  9 25  1  0  0  0  0
 10 12  2  0  0  0  0
 10 26  1  0  0  0  0
 11 12  1  0  0  0  0
 11 27  1  0  0  0  0
 13 28  1  0  0  0  0
 13 29  1  0  0  0  0
 13 30  1  0  0  0  0
M  END

$$$$
D00EUE
  -OEChem-10101305022D

 18 17  0     1  0  0  0  0  0999 V2000
    4.2690   -0.0950    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    0.4050    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331   -0.0950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.8671    1.4050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9030   -0.4610    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9030    1.2710    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -1.0950    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    5.1350    0.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    0.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5380   -0.4050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5335    0.8799    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7365    0.8799    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.4050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5380   -1.4050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2700    0.2150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.5950    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 10  1  0  0  0  0
  2  4  1  0  0  0  0
  2  6  2  0  0  0  0
  2  7  2  0  0  0  0
  3 11  1  0  0  0  0
  3 17  1  0  0  0  0
  4 18  1  0  0  0  0
  5 11  2  0  0  0  0
  9  8  1  1  0  0  0
  8 15  1  0  0  0  0
  8 16  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
 10 13  1  0  0  0  0
 10 14  1  0  0  0  0
M  END

$$$$
D00EVC
  -OEChem-10101305022D

 28 28  0     0  0  0  0  0  0999 V2000
    4.2690   -1.1900    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -1.1900    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -0.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -1.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -0.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331   -1.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    0.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    0.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -0.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    0.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    1.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.2700   -1.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0431   -0.6531    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    6.8671    0.9300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2471    0.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6720    0.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8890    1.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.5369   -1.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  2  0  0  0  0
  1 10  1  0  0  0  0
  2 10  1  0  0  0  0
  2 27  1  0  0  0  0
  2 28  1  0  0  0  0
  3  4  1  0  0  0  0
  3  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3 13  1  0  0  0  0
  4  5  1  0  0  0  0
  4 14  1  0  0  0  0
  4 15  1  0  0  0  0
  5  8  1  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 19  1  0  0  0  0
  7 20  1  0  0  0  0
  7 21  1  0  0  0  0
  8  9  2  0  0  0  0
  8 22  1  0  0  0  0
  9 11  1  0  0  0  0
  9 12  1  0  0  0  0
 10 11  2  0  0  0  0
 11 23  1  0  0  0  0
 12 24  1  0  0  0  0
 12 25  1  0  0  0  0
 12 26  1  0  0  0  0
M  END

$$$$
D00EWP
  -OEChem-10101305022D

 38 40  0     0  0  0  0  0  0999 V2000
    7.2622    2.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2622   -2.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8602   -0.4725    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6641   -0.4725    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.0241    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.7923    1.0241    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.1282    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3961    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1282   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3961   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2622    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2622   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5022    1.0347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0221    1.0347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5022   -1.0347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.9282    0.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5961    0.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.9282   -0.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6602    0.5275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8641    0.5275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5243    1.0308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.0308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.4639   -0.8329    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0604   -0.8329    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7344    1.6442    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7899    1.6442    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.8364    0.4951    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3121    1.5666    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4643    1.3429    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6879    0.4951    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.0601    1.3429    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.2123    1.5666    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  2  0  0  0  0
  2 12  2  0  0  0  0
  3 22  2  0  0  0  0
  4 21  2  0  0  0  0
  5 18  1  0  0  0  0
  5 22  1  0  0  0  0
  5 31  1  0  0  0  0
  6 17  1  0  0  0  0
  6 21  1  0  0  0  0
  6 32  1  0  0  0  0
  7  9  2  0  0  0  0
  7 11  1  0  0  0  0
  7 14  1  0  0  0  0
  8 10  2  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
 10 12  1  0  0  0  0
 10 15  1  0  0  0  0
 13 18  2  0  0  0  0
 13 26  1  0  0  0  0
 14 17  2  0  0  0  0
 14 25  1  0  0  0  0
 15 19  2  0  0  0  0
 15 28  1  0  0  0  0
 16 20  2  0  0  0  0
 16 27  1  0  0  0  0
 17 20  1  0  0  0  0
 18 19  1  0  0  0  0
 19 30  1  0  0  0  0
 20 29  1  0  0  0  0
 21 23  1  0  0  0  0
 22 24  1  0  0  0  0
 23 33  1  0  0  0  0
 23 37  1  0  0  0  0
 23 38  1  0  0  0  0
 24 34  1  0  0  0  0
 24 35  1  0  0  0  0
 24 36  1  0  0  0  0
M  END

$$$$
D00EYY
  -OEChem-10191521522D

 84 86  0     0  0  0  0  0  0999 V2000
    5.2665    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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   10.0911    9.1665    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5369    8.6318    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    2.5981    6.4418    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5380    9.3218    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7320    7.3218    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1350    9.7518    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9417   10.0242    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   11.5329    7.2989    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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M  END

$$$$
D00FAE
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 75 77  2  0  0  0  0
 75140  1  0  0  0  0
 77141  1  0  0  0  0
M  END

$$$$
D00FAW
  -OEChem-08301509482D

 32 33  0     0  0  0  0  0  0999 V2000
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M  END

$$$$
D00FAY
  BIDD-NUS20110812001D

 13 14  0  0  0  0  0  0  0  0999 V2000
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M  ENDM  END

$$$$
D00FCF
  -OEChem-10101305022D

 64 68  0     0  0  0  0  0  0999 V2000
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 21 25  2  0  0  0  0
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 30 33  2  0  0  0  0
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 31 34  2  0  0  0  0
 31 62  1  0  0  0  0
 33 63  1  0  0  0  0
 34 64  1  0  0  0  0
M  END

$$$$
D00FCJ
  -OEChem-10101305022D

 45 46  0     1  0  0  0  0  0999 V2000
    5.4641   -3.4050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    0.5950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 21 23  1  0  0  0  0
 21 40  1  0  0  0  0
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 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
M  END

$$$$
D00FDS
  -OEChem-10101305022D

 42 44  0     1  0  0  0  0  0999 V2000
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 21 42  1  0  0  0  0
M  END

$$$$
D00FEA
          07131001122D 1   1.00000     0.00000     0

 41 44  0     1  0            999 V2000
    7.8542   -4.4292    0.0000 S   0  0  3  0  0  0           0  0  0
    7.4542   -3.7167    0.0000 N   0  0  3  0  0  0           0  0  0
    4.1542   -2.2667    0.0000 C   0  0  0  0  0  0           0  0  0
    6.6292   -3.7125    0.0000 C   0  0  0  0  0  0           0  0  0
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    1.6542   -1.1292    0.0000 C   0  0  2  0  0  0           0  0  0
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  2  1  1  0     0  0
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  9 13  1  0     0  0
 10  1  2  0     0  0
 11  1  2  0     0  0
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 13 12  1  0     0  0
 14  3  1  0     0  0
 15 17  1  0     0  0
 16  2  1  0     0  0
 17 12  1  0     0  0
 18  9  1  0     0  0
 19  3  2  0     0  0
  8 20  1  6     0  0
 21  6  2  0     0  0
 22  6  1  0     0  0
  7 23  1  6     0  0
 24 20  1  0     0  0
 25 22  2  0     0  0
 26 21  1  0     0  0
 27 25  1  0     0  0
 28 30  1  0     0  0
 29 32  1  0     0  0
 30 15  1  0     0  0
 31 16  1  0     0  0
 32 27  1  0     0  0
 33 24  2  0     0  0
 34 24  1  0     0  0
 35 31  1  0     0  0
 36 31  1  0     0  0
 37 34  2  0     0  0
 38 33  1  0     0  0
 39 37  1  0     0  0
  9 40  1  1     0  0
 15 41  1  1     0  0
 27 26  2  0     0  0
 39 38  2  0     0  0
 15  9  1  0     0  0
 28 18  1  0     0  0
M  END

$$$$
D00FEH
  -OEChem-10101305032D

 72 75  0     1  0  0  0  0  0999 V2000
    6.8378    0.5441    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   10.4260    0.7462    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   11.2481   -3.7607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1141   -2.2607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8789    3.7607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.3004   -1.3746    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.4929    0.4622    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3557   -0.4039    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0693   -0.5155    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2766   -0.5988    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4120   -1.9817    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7807   -2.2239    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4015   -2.6766    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0829   -3.2284    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6347   -2.5470    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2522   -0.6442    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4336   -0.9584    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7478   -1.7770    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1131   -2.5707    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5296    2.9286    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7715   -2.1530    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1700   -2.8433    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7850   -3.0707    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   10.6281   -3.7607    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.4241   -2.7976    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.6510   -1.9507    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8041   -1.7237    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1  7  1  0  0  0  0
  1 13  1  0  0  0  0
  2  8  1  0  0  0  0
  2 50  1  0  0  0  0
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  4 28  1  0  0  0  0
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  7  8  1  0  0  0  0
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  7 12  1  0  0  0  0
  8 10  1  0  0  0  0
  8 14  1  0  0  0  0
  9 11  1  0  0  0  0
  9 37  1  0  0  0  0
  9 38  1  0  0  0  0
 10 15  1  0  0  0  0
 10 39  1  0  0  0  0
 10 40  1  0  0  0  0
 11 13  1  0  0  0  0
 11 18  2  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 16  2  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 17  1  0  0  0  0
 15 47  1  0  0  0  0
 15 48  1  0  0  0  0
 16 20  1  0  0  0  0
 16 21  1  0  0  0  0
 17 22  1  0  0  0  0
 17 23  1  0  0  0  0
 17 49  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 24  1  0  0  0  0
 21 25  2  0  0  0  0
 21 27  1  0  0  0  0
 22 54  1  0  0  0  0
 22 55  1  0  0  0  0
 22 56  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 26  1  0  0  0  0
 25 28  1  0  0  0  0
 25 58  1  0  0  0  0
 26 29  1  0  0  0  0
 26 59  1  0  0  0  0
 26 60  1  0  0  0  0
 27 30  2  0  0  0  0
 27 31  1  0  0  0  0
 29 32  1  0  0  0  0
 29 33  1  0  0  0  0
 29 61  1  0  0  0  0
 30 34  1  0  0  0  0
 30 62  1  0  0  0  0
 31 35  2  0  0  0  0
 31 63  1  0  0  0  0
 32 64  1  0  0  0  0
 32 68  1  0  0  0  0
 32 69  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 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 72  1  0  0  0  0
M  END

$$$$
D00FGA
  -OEChem-10101305032D

 15 15  0     0  0  0  0  0  0999 V2000
    2.8090    0.2306    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8090   -1.7694    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3090    1.7694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3090    1.7694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6180    0.8184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.8184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8090   -0.7694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9155    1.8983    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2442    2.3860    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3738    2.3860    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7026    1.8983    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9280    0.2814    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1844    1.0705    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4336    1.0705    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900    0.2814    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1  6  1  0  0  0  0
  1  7  1  0  0  0  0
  2  7  3  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3  8  1  0  0  0  0
  3  9  1  0  0  0  0
  4  6  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
  6 14  1  0  0  0  0
  6 15  1  0  0  0  0
M  END

$$$$
D00FGB
  -OEChem-10101305022D

 31 32  0     1  0  0  0  0  0999 V2000
    3.4030    0.8060    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.9030   -0.0600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9030    1.6720    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5309   -1.9260    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5309   -0.1940    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    1.3060    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.5309   -0.1940    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.9473    0.6108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9473   -0.9987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    0.3060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -0.6940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    0.8060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -1.1940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.3060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -0.6940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0309   -1.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0309   -1.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9171   -0.9512    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4846    0.9200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6962    1.1777    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6962   -1.5656    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4846   -1.3079    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    1.4260    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8409    0.3430    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -1.8140    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.0040    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0309   -1.6800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6509   -1.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0309   -0.4400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.9960    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    1.9260    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 14  1  0  0  0  0
  4 16  2  0  0  0  0
  5  7  1  0  0  0  0
  5 16  1  0  0  0  0
  5 24  1  0  0  0  0
  6 30  1  0  0  0  0
  6 31  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  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  2  0  0  0  0
 10 12  1  0  0  0  0
 11 13  1  0  0  0  0
 12 14  2  0  0  0  0
 12 23  1  0  0  0  0
 13 15  2  0  0  0  0
 13 25  1  0  0  0  0
 14 15  1  0  0  0  0
 15 26  1  0  0  0  0
 16 17  1  0  0  0  0
 17 27  1  0  0  0  0
 17 28  1  0  0  0  0
 17 29  1  0  0  0  0
M  END

$$$$
D00FHV
  -OEChem-10101305022D

158163  0     1  0  0  0  0  0999 V2000
   11.5000    2.6160    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.5000   -0.8481    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0000    3.4820    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.2320   -1.5801    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.4764   -1.0261    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.0000   -1.7141    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5000    4.3481    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.6843   -0.0480    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0000    1.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.5000    0.8840    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   18.0116   -2.6734    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.5000   -0.8481    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.5000    2.6160    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.3660   -3.0801    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   19.3785   -0.4081    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.0878    1.6930    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.5000    2.6160    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   17.0388    0.3840    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   21.6738   -2.3341    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   22.1738   -0.7953    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5000    0.8840    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.0000    0.0179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5000    0.8840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5000   -0.8481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0000    0.0179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5000    0.8840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5000   -0.8481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0000    0.0179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5000    0.8840    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   11.0000    1.7500    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   10.0000    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0000    0.0179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0000    0.0179    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   17.0981   -3.0801    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    9.5000    2.6160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.2026   -4.0746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1808   -4.2826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.6808   -3.4165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5000    0.8840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2320   -2.5801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5000   -2.5801    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   18.2195   -1.6952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0000    3.4820    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   14.0000   -1.7141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.1706   -1.3862    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   15.5000    0.8840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5000    4.3481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6340   -3.0801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.9137   -2.0554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0000    5.2141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0000    3.4820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6340   -4.0801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0878    0.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.8648   -1.7463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5000    6.0801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0000    5.2141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.6354    0.2611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0388    1.3840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5000    2.6160    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   18.8433    1.2392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7679   -4.5801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 77157  1  0  0  0  0
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M  END

$$$$
D00FHZ
  -OEChem-10191522022D

 29 31  0     0  0  0  0  0  0999 V2000
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 16 29  1  0  0  0  0
M  END

$$$$
D00FIE
  -OEChem-10101305032D

 32 35  0     0  0  0  0  0  0999 V2000
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    4.3009   -0.3906    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000    1.0337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660    0.5337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9061    0.4991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000    2.0337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321    1.0337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321    2.0337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660    2.5337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7696   -1.2533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.0129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9061    2.5684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.0545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4260    0.4991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.2308   -2.1405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.4188    3.1883    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6877   -2.5596    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7229   -1.7634    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.9791   -3.5337    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  2  0  0  0  0
  2 18  1  0  0  0  0
  2 32  1  0  0  0  0
  3  4  1  0  0  0  0
  3  7  1  0  0  0  0
  3 12  1  0  0  0  0
  4  6  2  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5  8  2  0  0  0  0
  6  9  1  0  0  0  0
  7 13  2  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 16  2  0  0  0  0
 10 11  1  0  0  0  0
 10 17  2  0  0  0  0
 12 18  1  0  0  0  0
 12 21  1  0  0  0  0
 12 22  1  0  0  0  0
 13 15  1  0  0  0  0
 13 23  1  0  0  0  0
 14 15  2  0  0  0  0
 14 24  1  0  0  0  0
 15 25  1  0  0  0  0
 16 19  1  0  0  0  0
 16 26  1  0  0  0  0
 17 20  1  0  0  0  0
 17 27  1  0  0  0  0
 18 28  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

$$$$
D00FIT
  -OEChem-10101305022D

 44 46  0     1  0  0  0  0  0999 V2000
    6.2781    0.5440    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783   -1.5632    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783   -3.1727    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.3680    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.8680    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -4.3680    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9889   -0.6127    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.3211    0.1316    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9674   -0.4065    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.6318    1.0821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9639    1.8264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.8680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6353   -1.1508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2619   -2.3680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.8680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2746    2.7769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.3680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2531    2.9832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6067    3.5212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.8680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5637    3.9337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7742    0.4236    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9385   -0.3563    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.3291   -4.6780    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -4.6780    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  9  1  1  1  0  0  0
  1 36  1  0  0  0  0
  2  7  1  0  0  0  0
  2 12  1  0  0  0  0
  2 14  1  0  0  0  0
  3 14  2  0  0  0  0
  3 15  1  0  0  0  0
  4 12  1  0  0  0  0
  4 20  2  0  0  0  0
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  5 20  1  0  0  0  0
  6 17  1  0  0  0  0
  6 43  1  0  0  0  0
  6 44  1  0  0  0  0
  7  8  1  6  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 13  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 16  1  0  0  0  0
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 11 31  1  0  0  0  0
 12 15  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
 15 17  1  0  0  0  0
 16 18  2  0  0  0  0
 16 19  1  0  0  0  0
 18 21  1  0  0  0  0
 18 37  1  0  0  0  0
 19 22  2  0  0  0  0
 19 38  1  0  0  0  0
 20 39  1  0  0  0  0
 21 23  2  0  0  0  0
 21 40  1  0  0  0  0
 22 23  1  0  0  0  0
 22 41  1  0  0  0  0
 23 42  1  0  0  0  0
M  END

$$$$
D00FIV
  -OEChem-04152122332D

 56 55  0     1  0  0  0  0  0999 V2000
   10.3312    0.0950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1972    2.5950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    1.5950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    0.0950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651    1.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991    1.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3312    1.0950    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.7331    1.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1972    1.5950    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.8671    1.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    1.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0632    1.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    1.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9292    1.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    1.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7953    0.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6613   -0.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7953    1.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6613   -1.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5273   -1.9050    0.0000 C   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
   15.5273   -2.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8637    2.0700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0666    2.0700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2006    0.6201    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9976    0.6201    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8681    0.7850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1316    2.0700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3346    2.0700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603    1.9050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4685    0.6201    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2656    0.6201    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3996    2.0700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6025    2.0700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.6647    0.6201    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.4617    0.6201    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7365    0.6201    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5335    0.6201    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.9292    2.2150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942   -0.2150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6675    2.0700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8705    2.0700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.1847    0.2027    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.5832   -0.4876    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.2719   -0.5127    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.8733    0.1776    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7341    2.9050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.3322    1.4050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.0507   -1.2973    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.4492   -1.9876    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   15.7394   -1.3224    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.9073   -2.9050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   16.1473   -2.9050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1  7  1  0  0  0  0
  1 40  1  0  0  0  0
  2  9  1  0  0  0  0
  2 47  1  0  0  0  0
  3 21  1  0  0  0  0
  3 56  1  0  0  0  0
  4 21  2  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 23  1  0  0  0  0
  5 24  1  0  0  0  0
  6  8  1  0  0  0  0
  6 25  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
  8 10  1  0  0  0  0
  8 28  1  0  0  0  0
  8 29  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
 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 15  1  0  0  0  0
 13 37  1  0  0  0  0
 13 38  1  0  0  0  0
 14 18  2  0  0  0  0
 14 39  1  0  0  0  0
 15 21  1  0  0  0  0
 15 41  1  0  0  0  0
 15 42  1  0  0  0  0
 16 17  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 48  1  0  0  0  0
 19 20  1  0  0  0  0
 19 49  1  0  0  0  0
 19 50  1  0  0  0  0
 20 22  1  0  0  0  0
 20 51  1  0  0  0  0
 20 52  1  0  0  0  0
 22 53  1  0  0  0  0
 22 54  1  0  0  0  0
 22 55  1  0  0  0  0
M  END

$$$$
D00FJT
  -OEChem-10191521192D

 55 57  0     1  0  0  0  0  0999 V2000
   11.5263    4.8100    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.3100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.1900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.1900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    1.3100    0.0000 N   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
    5.4641    1.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.1900    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
    7.1962    0.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.1900    0.0000 C   0  0  2  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
    4.5981   -1.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 27 53  1  0  0  0  0
 27 54  1  0  0  0  0
 27 55  1  0  0  0  0
M  ISO  1  27  11
M  END

$$$$
D00FLQ
  -OEChem-10101305022D

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 41 80  1  0  0  0  0
M  END

$$$$
D00FLT
  -OEChem-10101305032D

 50 52  0     1  0  0  0  0  0999 V2000
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M  END

$$$$
D00FLZ
  BIDD-NUS20110812001D

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M  ENDM  END

$$$$
D00FMX
  -OEChem-10101305032D

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    4.8535    1.5823    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8067    1.5823    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4082    2.2726    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    2.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331   -1.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331   -2.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -3.4300    0.0000 H   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
    1.4631   -1.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4860    0.1900    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
    2.2460    0.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.4300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -2.6200    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  7  1  0  0  0  0
  2  8  1  0  0  0  0
  2 30  1  0  0  0  0
  3 10  1  0  0  0  0
  3 13  2  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4  9  1  0  0  0  0
  4 21  1  0  0  0  0
  5  8  1  0  0  0  0
  5 24  1  0  0  0  0
  5 25  1  0  0  0  0
  6  7  1  0  0  0  0
  6 22  1  0  0  0  0
  6 23  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  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  2  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
 13 33  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  2  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 34  1  0  0  0  0
 17 20  1  0  0  0  0
 17 35  1  0  0  0  0
 18 36  1  0  0  0  0
 18 37  1  0  0  0  0
 18 38  1  0  0  0  0
 19 20  2  0  0  0  0
 19 39  1  0  0  0  0
 20 40  1  0  0  0  0
M  END

$$$$
D00FOR
          04230900262D 1   1.00000     0.00000     0

 31 34  0     0  0            999 V2000
   -3.5015    1.3542    0.0000 C   0  0  0  0  0  0           0  0  0
   -3.5026    0.4518    0.0000 N   0  0  0  0  0  0           0  0  0
   -2.7211    0.0015    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.9422    0.4523    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.9450    1.3578    0.0000 C   0  0  0  0  0  0           0  0  0
   -2.7229    1.8045    0.0000 N   0  0  0  0  0  0           0  0  0
   -2.7213   -0.8985    0.0000 C   0  0  0  0  0  0           0  0  0
   -3.5023   -1.3456    0.0000 C   0  0  0  0  0  0           0  0  0
   -3.5029   -2.2448    0.0000 C   0  0  0  0  0  0           0  0  0
   -2.7213   -2.6958    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.9418   -2.2373    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.9448   -1.3437    0.0000 N   0  0  0  0  0  0           0  0  0
   -1.1654    1.8147    0.0000 N   0  0  0  0  0  0           0  0  0
   -0.3828    1.3674    0.0000 C   0  0  0  0  0  0           0  0  0
    0.3926    1.8201    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.3797    0.4674    0.0000 O   0  0  0  0  0  0           0  0  0
   -1.1593   -2.6850    0.0000 N   0  0  3  0  0  0           0  0  0
   -4.2785    1.8040    0.0000 N   0  0  3  0  0  0           0  0  0
   -4.3733    2.6987    0.0000 N   0  0  0  0  0  0           0  0  0
   -5.2553    2.8867    0.0000 C   0  0  0  0  0  0           0  0  0
   -5.7052    2.1054    0.0000 C   0  0  0  0  0  0           0  0  0
   -5.1029    1.4384    0.0000 C   0  0  0  0  0  0           0  0  0
   -5.6203    3.7069    0.0000 C   0  0  0  0  0  0           0  0  0
   -5.2864    0.5563    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.1620   -3.5841    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.3837   -4.0317    0.0000 C   0  0  0  0  0  0           0  0  0
    0.3943   -3.5828    0.0000 C   0  0  3  0  0  0           0  0  0
    0.3936   -2.6819    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.3852   -2.2298    0.0000 C   0  0  0  0  0  0           0  0  0
    1.1753   -4.0332    0.0000 O   0  0  0  0  0  0           0  0  0
    1.1749   -4.9332    0.0000 C   0  0  0  0  0  0           0  0  0
 14 15  1  0     0  0
  3  4  2  0     0  0
 14 16  2  0     0  0
  7  8  2  0     0  0
 11 17  1  0     0  0
  1 18  1  0     0  0
 18 19  1  0     0  0
  8  9  1  0     0  0
  4  5  1  0     0  0
  9 10  2  0     0  0
  2  3  1  0     0  0
 19 20  2  0     0  0
 20 21  1  0     0  0
 21 22  2  0     0  0
 22 18  1  0     0  0
 10 11  1  0     0  0
 20 23  1  0     0  0
  5  6  2  0     0  0
 22 24  1  0     0  0
 17 25  1  0     0  0
 11 12  2  0     0  0
 12  7  1  0     0  0
  6  1  1  0     0  0
  5 13  1  0     0  0
  1  2  2  0     0  0
 17 29  1  0     0  0
 25 26  1  0     0  0
 26 27  1  0     0  0
 27 28  1  0     0  0
 28 29  1  0     0  0
 13 14  1  0     0  0
 27 30  1  0     0  0
  3  7  1  0     0  0
 30 31  1  0     0  0
M  END

$$$$
D00FOZ
  -OEChem-10101305022D

 39 39  0     0  0  0  0  0  0999 V2000
    3.7320   -1.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    2.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    1.2500    0.0000 O   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
    7.1962    3.2500    0.0000 N   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
    2.8660   -4.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.7500    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
    4.5981   -1.2500    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
    5.4641    0.2500    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   -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
    6.3301    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    4.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6540   -2.6674    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2554   -3.3577    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0781   -4.8326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4766   -4.1423    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9441   -3.3326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3426   -2.6423    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -4.2131    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -5.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   -5.2869    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
    5.4641   -2.3700    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
    6.8671   -1.5600    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
    6.6401    5.2869    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7932    5.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0201    4.2131    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3722    4.2131    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991    5.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7522    5.2869    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  5  1  0  0  0  0
  2 16  1  0  0  0  0
  3 16  2  0  0  0  0
  4 12  1  0  0  0  0
  4 16  1  0  0  0  0
  4 33  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 20  1  0  0  0  0
  6 21  1  0  0  0  0
  7  9  1  0  0  0  0
  7 22  1  0  0  0  0
  7 23  1  0  0  0  0
  8 24  1  0  0  0  0
  8 25  1  0  0  0  0
  9 26  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 13  2  0  0  0  0
 11 12  2  0  0  0  0
 11 29  1  0  0  0  0
 12 14  1  0  0  0  0
 13 15  1  0  0  0  0
 13 30  1  0  0  0  0
 14 15  2  0  0  0  0
 14 31  1  0  0  0  0
 15 32  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  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 34  1  0  0  0  0
 19 35  1  0  0  0  0
 19 36  1  0  0  0  0
M  END

$$$$
D00FPB
  -OEChem-10101305022D

 18 17  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
    6.8671    0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.2500    0.0000 C   0  0  3  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    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
    6.0010    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0051   -0.1750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5335    1.2250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7365    1.2250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8015    1.2250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0044    1.2250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6490   -0.7500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -1.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8890   -0.7500    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
    7.4040    0.4400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1 17  1  0  0  0  0
  2  8  1  0  0  0  0
  2 18  1  0  0  0  0
  3  8  2  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4  7  1  0  0  0  0
  4  9  1  0  0  0  0
  5  8  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
  6 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
M  END

$$$$
D00FPG
  -OEChem-10101305032D

 23 24  0     0  0  0  0  0  0999 V2000
    4.3211    2.1018    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783   -1.2025    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9674    1.5637    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.8978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.1022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783    0.4070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2619   -0.3978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.3978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.6022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9889   -2.1530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.8978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.1022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9889    1.3575    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8819   -0.3978    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.0178    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.2222    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3996   -2.3456    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1815   -2.7424    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5783   -1.9604    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -1.2078    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    0.4122    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1600    2.1530    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3815    1.1022    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  2  0  0  0  0
  2  4  1  0  0  0  0
  2  7  1  0  0  0  0
  2 10  1  0  0  0  0
  3 13  1  0  0  0  0
  3 22  1  0  0  0  0
  3 23  1  0  0  0  0
  4  5  1  0  0  0  0
  4  8  2  0  0  0  0
  5  6  1  0  0  0  0
  5  9  2  0  0  0  0
  6  7  2  0  0  0  0
  6 13  1  0  0  0  0
  7 14  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 16  1  0  0  0  0
 10 17  1  0  0  0  0
 10 18  1  0  0  0  0
 10 19  1  0  0  0  0
 11 12  2  0  0  0  0
 11 20  1  0  0  0  0
 12 21  1  0  0  0  0
M  END

$$$$
D00FPI
  -OEChem-04152110342D

 90 99  0     0  0  0  0  0  0999 V2000
    2.0000    6.5859    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.8322   -6.5859    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4519    7.4241    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.3803   -7.4241    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1374    1.7649    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6948   -1.7649    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9568    2.7967    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8754   -2.7967    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4178    3.3426    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   13.4144   -3.3426    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    4.5518    2.8426    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2804   -2.8426    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6857    3.3426    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1465   -3.3426    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 51 85  1  0  0  0  0
 51 86  1  0  0  0  0
 51 87  1  0  0  0  0
 52 88  1  0  0  0  0
 52 89  1  0  0  0  0
 52 90  1  0  0  0  0
M  CHG  2   9   1  10   1
M  END

$$$$
D00FPJ
  -OEChem-04152110232D

 30 32  0     1  0  0  0  0  0999 V2000
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  1  9  2  0  0  0  0
  2 10  2  0  0  0  0
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  3 28  1  0  0  0  0
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  4 29  1  0  0  0  0
  5 20  1  0  0  0  0
  5 30  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 21  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 10  1  0  0  0  0
  8 13  1  0  0  0  0
 11 14  2  0  0  0  0
 11 15  1  0  0  0  0
 12 17  2  0  0  0  0
 13 16  2  0  0  0  0
 13 22  1  0  0  0  0
 14 18  1  0  0  0  0
 14 23  1  0  0  0  0
 15 19  2  0  0  0  0
 15 24  1  0  0  0  0
 16 17  1  0  0  0  0
 17 25  1  0  0  0  0
 18 20  2  0  0  0  0
 18 26  1  0  0  0  0
 19 20  1  0  0  0  0
 19 27  1  0  0  0  0
M  END

$$$$
D00FPT
  -OEChem-04152109092D

 52 54  0     1  0  0  0  0  0999 V2000
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 30 31  1  0  0  0  0
 32 43  1  0  0  0  0
 32 44  1  0  0  0  0
 32 45  1  0  0  0  0
M  CHG  1  18   1
M  END

$$$$
D00FRX
          04161100062D 1   1.00000     0.00000     0

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 29 19  2  0     0  0
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 20 21  1  0     0  0
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 21 22  1  0     0  0
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 22 23  1  0     0  0
 23 24  1  0     0  0
 16  1  1  0     0  0
 10 11  2  0     0  0
 11 12  1  0     0  0
  4  5  2  0     0  0
 23 28  1  0     0  0
 24 25  1  0     0  0
 25 26  1  0     0  0
 26 27  1  0     0  0
 27 28  1  0     0  0
 29 30  1  0     0  0
 12 13  2  0     0  0
 13 14  1  0     0  0
  5  6  1  0     0  0
 14 15  2  0     0  0
 15 10  1  0     0  0
 29 34  1  0     0  0
 30 31  1  0     0  0
 31 32  2  0     0  0
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 33 34  1  0     0  0
  8 10  1  0     0  0
 33 35  2  0     0  0
 13  2  1  0     0  0
 32 36  1  0     0  0
 36 37  1  0     0  0
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 37 38  2  0     0  0
 16 17  2  0     0  0
 38 39  1  0     0  0
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 39 40  2  0     0  0
 17 18  1  0     0  0
 40 41  1  0     0  0
 18 30  2  0     0  0
 41 42  2  0     0  0
 42 37  1  0     0  0
  7  8  1  0     0  0
M  END

$$$$
D00FTQ
  -OEChem-04152109492D

 27 26  0     1  0  0  0  0  0999 V2000
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  1  6  1  0  0  0  0
  1 26  1  0  0  0  0
  2 11  1  0  0  0  0
  2 27  1  0  0  0  0
  3 11  2  0  0  0  0
  4  5  1  0  0  0  0
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  4 13  1  0  0  0  0
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  6  9  1  0  0  0  0
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  9 22  1  0  0  0  0
 10 23  1  0  0  0  0
 10 24  1  0  0  0  0
 10 25  1  0  0  0  0
M  END

$$$$
D00FUO
  -OEChem-10121500222D

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 18 49  1  0  0  0  0
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 26 55  1  0  0  0  0
 27 29  1  0  0  0  0
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 30 31  1  0  0  0  0
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 31 60  1  0  0  0  0
 32 61  1  0  0  0  0
 32 62  1  0  0  0  0
 32 63  1  0  0  0  0
M  END

$$$$
D00FUS
  -OEChem-10101305022D

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  1  7  1  0  0  0  0
  1 12  1  0  0  0  0
  2  4  1  0  0  0  0
  2 20  1  0  0  0  0
  2 21  1  0  0  0  0
  3  4  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  6  1  0  0  0  0
  4 15  1  0  0  0  0
  5  7  1  0  0  0  0
  5  8  2  0  0  0  0
  6 16  1  0  0  0  0
  6 17  1  0  0  0  0
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  8 10  1  0  0  0  0
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 10 11  2  0  0  0  0
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 11 24  1  0  0  0  0
 12 25  1  0  0  0  0
 12 26  1  0  0  0  0
 12 27  1  0  0  0  0
M  END

$$$$
D00FUT
  -OEChem-10191521282D

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M  END

$$$$
D00FXL
  -OEChem-10101305022D

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M  END

$$$$
D00FZN
  -OEChem-10101305022D

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$$$$
D00GBB
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M  END

$$$$
D00GBX
  -OEChem-10101305032D

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M  END

$$$$
D00GCC
  -OEChem-10191522232D

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M  END

$$$$
D00GCK
  -OEChem-04152109022D

 66 72  0     0  0  0  0  0  0999 V2000
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M  END

$$$$
D00GCN
  -OEChem-10101305022D

 33 36  0     0  0  0  0  0  0999 V2000
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    7.2641   -0.7327    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.0241   -0.7673    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321   -0.7327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981   -0.2327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000   -0.7327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000   -1.7327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660   -0.2327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1301   -0.2327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1301    0.7673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321   -1.7327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981    0.7673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660   -2.2327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641    1.2673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9061   -0.1980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9061   -2.2673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0241    1.3020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.7119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.7535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9301    0.7881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9301   -0.2535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.6660   -2.8527    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.9132   -2.8873    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0169    1.9220    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4643   -0.3998    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   10.4659    1.1002    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4659   -0.5656    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 14  2  0  0  0  0
  2  5  1  0  0  0  0
  2  9  1  0  0  0  0
  2 23  1  0  0  0  0
  3  9  1  0  0  0  0
  3 21  2  0  0  0  0
  4  5  1  0  0  0  0
  4  8  2  0  0  0  0
  4 11  1  0  0  0  0
  5 12  2  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6 15  2  0  0  0  0
  7 13  1  0  0  0  0
  7 16  2  0  0  0  0
  8 22  1  0  0  0  0
  9 10  2  0  0  0  0
 10 14  1  0  0  0  0
 10 17  1  0  0  0  0
 11 13  2  0  0  0  0
 11 24  1  0  0  0  0
 12 14  1  0  0  0  0
 12 25  1  0  0  0  0
 13 26  1  0  0  0  0
 15 18  1  0  0  0  0
 15 27  1  0  0  0  0
 16 19  1  0  0  0  0
 16 28  1  0  0  0  0
 17 20  2  0  0  0  0
 17 29  1  0  0  0  0
 18 19  2  0  0  0  0
 18 30  1  0  0  0  0
 19 31  1  0  0  0  0
 20 21  1  0  0  0  0
 20 32  1  0  0  0  0
 21 33  1  0  0  0  0
M  END

$$$$
D00GDI
  -OEChem-10101305032D

 34 34  0     1  0  0  0  0  0999 V2000
    2.0000   -2.4330    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.4330    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.0670    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.0670    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    2.5670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.0670    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.3301    3.0670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9641    3.4330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9641    1.7010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.5670    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
    3.7320   -0.4330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.9330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.9330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.9330    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
    3.7320   -2.4330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0611    2.3770    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    1.3770    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6401    2.5300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    3.3770    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0201    3.6039    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5010    3.7430    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6541    3.9700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4272    3.1230    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4272    1.3910    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2741    1.1640    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5010    2.0110    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1541    0.0301    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    0.2570    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7741    1.1039    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -0.6230    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -0.6230    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -2.2430    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 15  1  0  0  0  0
  2 17  1  0  0  0  0
  3 10  2  0  0  0  0
  4  5  1  0  0  0  0
  4  6  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  9  1  0  0  0  0
  6 10  1  0  0  0  0
  6 11  1  0  0  0  0
  6 19  1  0  0  0  0
  7 20  1  0  0  0  0
  7 21  1  0  0  0  0
  7 22  1  0  0  0  0
  8 23  1  0  0  0  0
  8 24  1  0  0  0  0
  8 25  1  0  0  0  0
  9 26  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
 11 29  1  0  0  0  0
 11 30  1  0  0  0  0
 11 31  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 13 15  1  0  0  0  0
 13 32  1  0  0  0  0
 14 16  2  0  0  0  0
 14 33  1  0  0  0  0
 15 17  2  0  0  0  0
 16 17  1  0  0  0  0
 16 34  1  0  0  0  0
M  END

$$$$
D00GEE
  -OEChem-10191522022D

 52 56  0     1  0  0  0  0  0999 V2000
    9.3042   -2.0697    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5596   -2.5737    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2860   -1.3999    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9654    2.1163    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    4.5124    0.9988    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.6200    0.1532    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.3170    0.9273    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.6028    0.3776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2962    1.3731    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.9393   -0.8837    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.9875    1.9154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3816    0.7181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9988   -1.1175    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.7248   -0.3112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3181    1.5810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6564    3.0673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0091    2.5321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6782    3.2752    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2616   -1.6191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.3334    3.3090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6994    1.3521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3191    3.1007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.1156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8820   -3.3090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0440   -0.4718    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8784    1.5655    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9878    0.2992    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5748   -0.2417    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   10.1078   -0.7988    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2708   -0.0173    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2703    3.1536    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6780    3.6869    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9105    3.8501    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1524    3.6038    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5113    0.3788    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    3.5313    3.8966    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    1.3942    1.9838    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    7.3379   -3.7292    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
 13  1  1  6  0  0  0
  1 45  1  0  0  0  0
  2 19  1  0  0  0  0
  2 26  1  0  0  0  0
  3 19  2  0  0  0  0
  4  9  1  0  0  0  0
  4 11  1  0  0  0  0
  4 16  1  0  0  0  0
  5 15  1  0  0  0  0
  5 21  1  0  0  0  0
  5 44  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6 10  1  0  0  0  0
  6 27  1  6  0  0  0
  7 11  1  0  0  0  0
  7 12  1  0  0  0  0
  7 28  1  1  0  0  0
  8  9  1  0  0  0  0
  8 29  1  0  0  0  0
  8 30  1  0  0  0  0
  9 15  1  0  0  0  0
  9 31  1  6  0  0  0
 10 13  1  0  0  0  0
 10 19  1  1  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 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
 14 38  1  0  0  0  0
 14 39  1  0  0  0  0
 15 17  2  0  0  0  0
 16 18  1  0  0  0  0
 16 40  1  0  0  0  0
 16 41  1  0  0  0  0
 17 18  1  0  0  0  0
 17 20  1  0  0  0  0
 18 42  1  0  0  0  0
 18 43  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  2  0  0  0  0
 21 23  2  0  0  0  0
 22 24  1  0  0  0  0
 22 46  1  0  0  0  0
 23 25  1  0  0  0  0
 23 47  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 50  1  0  0  0  0
 26 51  1  0  0  0  0
 26 52  1  0  0  0  0
M  END

$$$$
D00GHB
  -OEChem-10101305022D

 37 37  0     1  0  0  0  0  0999 V2000
    5.0868    1.2757    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
    6.8909   -3.2767    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    5.9529    2.7757    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
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    3.1330   -2.5722    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4608   -0.5031    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3031   -2.4676    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9529    1.7757    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5868    2.1417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5868    0.4097    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4787   -4.0857    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6999   -2.6889    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0819   -3.8644    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9529    3.7757    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9529    2.7757    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9529    2.7757    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7208   -1.7632    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    5.3086   -2.5722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.9668    2.1417    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2629    2.2388    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
  1  9  1  0  0  0  0
  1 10  2  0  0  0  0
  2  7  1  0  0  0  0
  2 11  1  0  0  0  0
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 18  5  1  1  0  0  0
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 21  6  1  1  0  0  0
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 11 34  1  0  0  0  0
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 14 36  1  0  0  0  0
 15 37  1  0  0  0  0
 17 18  1  0  0  0  0
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 18 21  1  0  0  0  0
 18 24  1  0  0  0  0
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 20 21  1  0  0  0  0
 20 25  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
M  END

$$$$
D00GHK
  -OEChem-10191521292D

 57 57  0     1  0  0  0  0  0999 V2000
   11.3459   -2.4148    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4980   -4.4839    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    9.5858    3.8639    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   10.3948   -2.7239    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.0858   -3.6749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0858   -3.6749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.4518    0.3639    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.7198    3.3639    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1382   -1.8546    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   10.8332   -3.1623    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0210   -4.2915    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6923   -3.8038    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1168   -1.8674    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    8.9752   -1.2437    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    7.5712   -3.4657    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8066   -2.8297    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    3.9488   -2.7534    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  8  1  1  1  0  0  0
  1 37  1  0  0  0  0
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 11 13  1  0  0  0  0
 11 31  1  0  0  0  0
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 13 15  1  0  0  0  0
 13 35  1  0  0  0  0
 13 36  1  0  0  0  0
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 14 38  1  0  0  0  0
 15 16  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 19  1  0  0  0  0
 17 41  1  0  0  0  0
 18 20  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
 19 45  1  0  0  0  0
 20 22  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
 21 48  1  0  0  0  0
 21 49  1  0  0  0  0
 22 24  1  0  0  0  0
 22 50  1  0  0  0  0
 22 51  1  0  0  0  0
 23 25  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
M  END

$$$$
D00GIB
  -OEChem-10101305022D

 40 42  0     0  0  0  0  0  0999 V2000
    6.3301   -3.7500    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942    2.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    0.7500    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
    6.3301   -0.7500    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
    5.4641   -1.2500    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
    6.3301    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    2.2500    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
    6.3301    2.2500    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
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    3.7320   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7320   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 10 15  2  0  0  0  0
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 16 31  1  0  0  0  0
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 17 32  1  0  0  0  0
 18 20  2  0  0  0  0
 18 33  1  0  0  0  0
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 20 34  1  0  0  0  0
 22 24  1  0  0  0  0
 22 35  1  0  0  0  0
 23 25  2  0  0  0  0
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 25 26  1  0  0  0  0
 25 38  1  0  0  0  0
 26 39  1  0  0  0  0
M  END

$$$$
D00GII
  BIDD-NUS20110812001D

 54 57  0     0  0            999 V2000
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    5.6811  -19.5250    0.0000 C   0  0  2  0  0  0           0  0  0
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    3.5430  -18.2908    0.0000 C   0  0  0  0  0  0           0  0  0
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    3.5404  -17.4616    0.0000 C   0  0  0  0  0  0           0  0  0
    4.2587  -17.0474    0.0000 C   0  0  0  0  0  0           0  0  0
    4.2582  -16.2201    0.0000 C   0  0  0  0  0  0           0  0  0
    3.5401  -15.8059    0.0000 C   0  0  0  0  0  0           0  0  0
    2.8210  -16.2251    0.0000 C   0  0  0  0  0  0           0  0  0
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    6.1750  -21.5583    0.0000 C   0  0  0  0  0  0           0  0  0
 12 13  2  0     0  0
 26 27  2  0     0  0
  1  2  1  0     0  0
 27 28  1  0     0  0
 13 14  1  0     0  0
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 29 24  1  0     0  0
 14  9  2  0     0  0
 27 30  1  0     0  0
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  1 15  1  0     0  0
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 31 33  1  0     0  0
 15 16  2  0     0  0
 33 34  1  0     0  0
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 33 35  1  1     0  0
 15 17  1  0     0  0
 35 36  1  0     0  0
  8  5  1  0     0  0
 36 37  1  0     0  0
 17 18  1  0     0  0
 37 38  1  0     0  0
 38 39  1  0     0  0
 18 19  1  0     0  0
 39 40  2  0     0  0
  4  5  1  0     0  0
 39 41  1  0     0  0
 19 20  1  0     0  0
 23 42  1  0     0  0
  9 10  1  0     0  0
 42 43  1  0     0  0
 19 21  2  0     0  0
 42 44  2  0     0  0
  2  3  1  0     0  0
 43 45  1  1     0  0
 20 22  1  6     0  0
 43 46  1  0     0  0
 10 11  2  0     0  0
 34 47  2  0     0  0
 46 34  1  0     0  0
 20 23  1  0     0  0
 45 48  1  0     0  0
  5  6  2  0     0  0
 48 49  1  0     0  0
 22 24  1  0     0  0
 49 50  1  0     0  0
 11 12  1  0     0  0
 50 51  1  0     0  0
 24 25  2  0     0  0
 51 52  1  0     0  0
  6 10  1  0     0  0
 51 53  2  0     0  0
 25 26  1  0     0  0
 31 54  1  0     0  0
M  ENDM  END

$$$$
D00GIK
  -OEChem-10101305032D

 28 29  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
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    2.8660   -0.6012    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   -1.1012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5116    1.9920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7026    3.3933    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
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    6.1808    2.7352    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
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    2.6540    0.9814    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    3.5200    2.4814    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    1.4631   -0.7912    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    6.7974    2.6704    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 15  1  0  0  0  0
  2  6  1  0  0  0  0
  2 10  1  0  0  0  0
  2 11  1  0  0  0  0
  3 11  2  0  0  0  0
  3 14  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4 16  1  0  0  0  0
  4 17  1  0  0  0  0
  5  7  1  0  0  0  0
  5 18  1  0  0  0  0
  5 19  1  0  0  0  0
  6 20  1  0  0  0  0
  6 21  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  8 12  1  0  0  0  0
  8 22  1  0  0  0  0
  9 13  2  0  0  0  0
  9 23  1  0  0  0  0
 10 14  2  0  0  0  0
 10 24  1  0  0  0  0
 11 25  1  0  0  0  0
 12 15  2  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 28  1  0  0  0  0
M  END

$$$$
D00GIU
  -OEChem-10101305022D

 64 67  0     0  0  0  0  0  0999 V2000
    9.5323    2.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0682   -2.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.5323    5.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0682   -5.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.0625    3.4758    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    6.9343   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6663    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.5323    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2022   -4.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3984    4.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.6663    4.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.3984    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.3083   -3.4653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1984    3.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.8003   -5.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.0693    2.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5313   -2.1900    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
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  1 45  1  0  0  0  0
  2 11  1  0  0  0  0
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  4 22  1  0  0  0  0
  5 28  1  0  0  0  0
  5 61  1  0  0  0  0
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  6 27  1  0  0  0  0
  6 63  1  0  0  0  0
  6 64  1  0  0  0  0
  7  8  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 11  1  0  0  0  0
  9 37  1  0  0  0  0
  9 38  1  0  0  0  0
 10 12  1  0  0  0  0
 10 39  1  0  0  0  0
 10 40  1  0  0  0  0
 11 43  1  0  0  0  0
 11 44  1  0  0  0  0
 12 41  1  0  0  0  0
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 13 15  2  0  0  0  0
 13 17  1  0  0  0  0
 14 16  2  0  0  0  0
 14 18  1  0  0  0  0
 15 19  1  0  0  0  0
 15 23  1  0  0  0  0
 16 20  1  0  0  0  0
 16 24  1  0  0  0  0
 17 22  2  0  0  0  0
 17 48  1  0  0  0  0
 18 21  2  0  0  0  0
 18 47  1  0  0  0  0
 19 26  1  0  0  0  0
 20 25  1  0  0  0  0
 21 32  1  0  0  0  0
 22 31  1  0  0  0  0
 23 27  2  0  0  0  0
 23 50  1  0  0  0  0
 24 28  2  0  0  0  0
 24 49  1  0  0  0  0
 25 29  2  0  0  0  0
 25 51  1  0  0  0  0
 26 30  2  0  0  0  0
 26 52  1  0  0  0  0
 27 30  1  0  0  0  0
 28 29  1  0  0  0  0
 29 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
 31 60  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

$$$$
D00GIW
  -OEChem-10101305022D

 22 23  0     0  0  0  0  0  0999 V2000
    5.4641   -2.3512    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.3512    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
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    5.6808    2.3512    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7320   -0.3512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.8512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.8512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5116    0.7420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7026    2.1433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.8512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.8512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.3512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1808    1.4852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5200    1.2314    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1215    0.5411    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -0.5412    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    6.7974    1.4204    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  0  0  0  0
  2 12  1  0  0  0  0
  3  5  1  0  0  0  0
  3  9  1  0  0  0  0
  3 10  1  0  0  0  0
  4 10  2  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
  5 16  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
  7 17  1  0  0  0  0
  8 11  2  0  0  0  0
  8 18  1  0  0  0  0
  9 14  2  0  0  0  0
  9 19  1  0  0  0  0
 10 20  1  0  0  0  0
 11 13  1  0  0  0  0
 12 13  2  0  0  0  0
 13 21  1  0  0  0  0
 14 22  1  0  0  0  0
M  END

$$$$
D00GJZ
  -OEChem-10101305032D

 83 86  0     0  0  0  0  0  0999 V2000
    6.5630   -1.1546    0.0000 Cu  0  2  0  0  0  0  0  0  0  0  0  0
    7.3532    5.1398    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9174   -0.1834    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   11.8684    1.1949    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    8.0237   -1.1284    0.0000 N   0  5  0  0  0  0  0  0  0  0  0  0
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M  CHG  2   1   2   9  -1
M  END

$$$$
D00GLW
          01210517132D 1   1.00000     0.00000     0

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M  END

$$$$
D00GNW
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  1  5  1  0  0  0  0
  1  8  1  0  0  0  0
  1 32  1  0  0  0  0
  2  5  2  0  0  0  0
  2  9  1  0  0  0  0
  3  9  1  0  0  0  0
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  4  5  1  0  0  0  0
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 17 40  1  0  0  0  0
 18 22  2  0  0  0  0
 18 41  1  0  0  0  0
 19 24  1  0  0  0  0
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 21 23  2  0  0  0  0
 21 44  1  0  0  0  0
 22 23  1  0  0  0  0
 22 45  1  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
 25 48  1  0  0  0  0
 26 49  1  0  0  0  0
M  END

$$$$
D00GOC
  -OEChem-04152109212D

 31 32  0     1  0  0  0  0  0999 V2000
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    3.5398   -3.7614    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    4.7208    2.0388    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.2208    0.5000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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 10  2  1  1  0  0  0
  2 25  1  0  0  0  0
 11  3  1  1  0  0  0
  3 26  1  0  0  0  0
  4 15  1  0  0  0  0
  4 28  1  0  0  0  0
  5 16  1  0  0  0  0
  5 29  1  0  0  0  0
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  7  8  1  0  0  0  0
  7 14  2  0  0  0  0
  8 17  1  0  0  0  0
  8 27  1  0  0  0  0
  9 18  1  0  0  0  0
  9 30  1  0  0  0  0
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 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
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 11 13  1  0  0  0  0
 11 20  1  0  0  0  0
 12 14  1  0  0  0  0
 12 21  1  1  0  0  0
 13 15  1  6  0  0  0
 13 22  1  0  0  0  0
 14 16  1  0  0  0  0
 15 23  1  0  0  0  0
 15 24  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
M  END

$$$$
D00GOD
  -OEChem-10101305022D

 29 29  0     1  0  0  0  0  0999 V2000
    6.2633    1.5201    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1 12  1  0  0  0  0
  1 29  1  0  0  0  0
  2 12  2  0  0  0  0
  3 10  1  0  0  0  0
  3 14  1  0  0  0  0
  3 24  1  0  0  0  0
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 10 13  2  0  0  0  0
 11 22  1  0  0  0  0
 11 23  1  0  0  0  0
 13 25  1  0  0  0  0
 14 26  1  0  0  0  0
M  END

$$$$
D00GOQ
  -OEChem-10101305022D

 49 53  0     1  0  0  0  0  0999 V2000
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 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 15  2  0  0  0  0
 13 17  1  0  0  0  0
 14 16  2  0  0  0  0
 14 18  1  0  0  0  0
 15 20  1  0  0  0  0
 15 37  1  0  0  0  0
 16 21  1  0  0  0  0
 16 38  1  0  0  0  0
 17 22  2  0  0  0  0
 17 39  1  0  0  0  0
 18 23  2  0  0  0  0
 18 40  1  0  0  0  0
 19 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
 21 25  2  0  0  0  0
 22 24  1  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
 26 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
M  END

$$$$
D00GOY
  -OEChem-10111523342D

 29 30  0     1  0  0  0  0  0999 V2000
    2.0000   -0.1867    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    5.5443   -0.3820    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    7.1441    1.7253    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1279   -1.1867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5443   -1.9915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.6867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8550    0.5685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.6867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8335    0.7747    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.7320   -0.1867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.1867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5013    0.0304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.6867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.6867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5888   -1.6015    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5888   -0.7720    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2933   -2.5584    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0817   -2.3007    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8344    1.1882    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2411    0.6559    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4194    1.2362    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.4333    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.8067    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0398   -0.3836    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9154   -0.4310    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9628    0.4445    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -1.9967    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7508    1.8531    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7301    2.1867    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  1  0  0  0  0
  2  4  1  0  0  0  0
  2  6  1  0  0  0  0
  2  7  1  0  0  0  0
  9  3  1  1  0  0  0
  3 28  1  0  0  0  0
  3 29  1  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  8  1  0  0  0  0
  5 17  1  0  0  0  0
  5 18  1  0  0  0  0
  6  8  2  0  0  0  0
  6 10  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
  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 14  2  0  0  0  0
 11 23  1  0  0  0  0
 12 24  1  0  0  0  0
 12 25  1  0  0  0  0
 12 26  1  0  0  0  0
 13 14  1  0  0  0  0
 14 27  1  0  0  0  0
M  END

$$$$
D00GQC
  -OEChem-10101305022D

 55 55  0     0  0  0  0  0  0999 V2000
   15.8660    3.2811    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.3660    4.1471    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0000   -0.6830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8660   -0.1830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0000    0.3170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5000   -1.5490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8660   -0.1830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5000   -1.5490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3660    0.6830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0000   -2.4151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3660    0.6830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000   -2.4151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8660    1.5490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5000   -3.2811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8660    1.5490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000   -3.2811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3660    2.4151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -4.1471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3660    2.4151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -4.1471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8660    3.2811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2120    0.8996    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3894    0.4246    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3923   -2.1596    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0826   -1.7611    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7584   -0.7936    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4486   -0.3951    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6077   -0.9385    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9174   -1.3370    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4737    1.2936    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7834    0.8951    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8923   -3.0256    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5826   -2.6271    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2584    0.0724    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9486    0.4710    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1077   -1.8045    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4174   -2.2030    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9737    2.1596    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2834    1.7611    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3923   -3.8917    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0826   -3.4931    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.7584    0.9385    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.4486    1.3370    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6077   -2.6705    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9174   -3.0690    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.4737    3.0256    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.7834    2.6271    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8923   -4.7577    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5826   -4.3592    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.2584    1.8045    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.9486    2.2030    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.5271    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3800   -4.1471    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -4.7671    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.1760    3.8180    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 21  1  0  0  0  0
  1 55  1  0  0  0  0
  2 21  2  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  3  6  1  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  5 22  1  0  0  0  0
  5 23  1  0  0  0  0
  6  8  1  0  0  0  0
  6 24  1  0  0  0  0
  6 25  1  0  0  0  0
  7  9  1  0  0  0  0
  7 26  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 13  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 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
 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 18  1  0  0  0  0
 16 44  1  0  0  0  0
 16 45  1  0  0  0  0
 17 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
 18 48  1  0  0  0  0
 18 49  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 52  1  0  0  0  0
 20 53  1  0  0  0  0
 20 54  1  0  0  0  0
M  END

$$$$
D00GQI
  -OEChem-10101305022D

 43 45  0     0  0  0  0  0  0999 V2000
    3.7320   -0.2500    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
    6.3301   -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   -1.7500    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
    5.4641   -1.2500    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
    2.0000   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.7500    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   -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
    8.0622   -1.7500    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
    5.4641    1.7500    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
    8.9282   -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
    5.4641    2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282   -3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942   -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
    9.7942   -2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.1300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   -0.7131    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2460   -2.7500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4860   -2.7500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -0.9400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -1.7869    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9272    0.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    1.4400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9272    1.4400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5252   -3.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282   -0.6300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    3.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9272    3.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282   -3.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3312   -1.4400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    3.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3312   -3.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  2  0  0  0  0
  2  6  1  0  0  0  0
  2  7  1  0  0  0  0
  2 32  1  0  0  0  0
  3  7  2  0  0  0  0
  3 12  1  0  0  0  0
  4  8  1  0  0  0  0
  4 12  2  0  0  0  0
  5  6  1  0  0  0  0
  5  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 25  1  0  0  0  0
  7 11  1  0  0  0  0
  8 11  2  0  0  0  0
  8 13  1  0  0  0  0
  9 26  1  0  0  0  0
  9 30  1  0  0  0  0
  9 31  1  0  0  0  0
 10 27  1  0  0  0  0
 10 28  1  0  0  0  0
 10 29  1  0  0  0  0
 11 33  1  0  0  0  0
 12 14  1  0  0  0  0
 13 15  2  0  0  0  0
 13 16  1  0  0  0  0
 14 17  2  0  0  0  0
 14 18  1  0  0  0  0
 15 19  1  0  0  0  0
 15 34  1  0  0  0  0
 16 20  2  0  0  0  0
 16 35  1  0  0  0  0
 17 21  1  0  0  0  0
 17 36  1  0  0  0  0
 18 22  2  0  0  0  0
 18 37  1  0  0  0  0
 19 23  2  0  0  0  0
 19 38  1  0  0  0  0
 20 23  1  0  0  0  0
 20 39  1  0  0  0  0
 21 24  2  0  0  0  0
 21 40  1  0  0  0  0
 22 24  1  0  0  0  0
 22 41  1  0  0  0  0
 23 42  1  0  0  0  0
 24 43  1  0  0  0  0
M  END

$$$$
D00GQM
  -OEChem-10101305022D

 40 43  0     0  0  0  0  0  0999 V2000
    6.8671    3.9050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -3.5950    0.0000 O   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
    6.0010    0.4050    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.6793    0.7097    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -1.0950    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.6793   -0.8997    0.0000 N   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
    7.7331    2.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1 10  1  0  0  0  0
  1 11  1  0  0  0  0
  2 23  1  0  0  0  0
  2 40  1  0  0  0  0
  3  8  1  0  0  0  0
  3  9  1  0  0  0  0
  3 12  1  0  0  0  0
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  5 32  1  0  0  0  0
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 10 28  1  0  0  0  0
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 11 30  1  0  0  0  0
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 13 14  2  0  0  0  0
 15 16  1  0  0  0  0
 16 18  2  0  0  0  0
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 17 33  1  0  0  0  0
 18 21  1  0  0  0  0
 18 34  1  0  0  0  0
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 19 35  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 20 23  1  0  0  0  0
 21 36  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
M  END

$$$$
D00GQP
  -OEChem-10101305032D

 65 64  0     0  0  0  0  0  0999 V2000
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   13.2583   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.1244    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.0588    0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2617    0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8626    0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0656    0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1278   -0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9248   -0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1996   -0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9966   -0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.7908    0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9938    0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1306    0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3335    0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   16.3239   -0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   21.5895   -0.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 20  2  0  0  0  0
  2 21  2  0  0  0  0
  3 25  2  0  0  0  0
  4 26  1  0  0  0  0
  4 65  1  0  0  0  0
  5 21  1  0  0  0  0
  5 22  1  0  0  0  0
  5 60  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 29  1  0  0  0  0
  7 30  1  0  0  0  0
  8 10  1  0  0  0  0
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  9 11  1  0  0  0  0
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 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
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 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 17  1  0  0  0  0
 15 45  1  0  0  0  0
 15 46  1  0  0  0  0
 16 18  1  0  0  0  0
 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
 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
 19 55  1  0  0  0  0
 20 21  1  0  0  0  0
 22 23  1  0  0  0  0
 22 56  1  0  0  0  0
 22 57  1  0  0  0  0
 23 24  1  0  0  0  0
 23 58  1  0  0  0  0
 23 59  1  0  0  0  0
 24 25  1  0  0  0  0
 24 61  1  0  0  0  0
 24 62  1  0  0  0  0
 25 26  1  0  0  0  0
 26 63  1  0  0  0  0
 26 64  1  0  0  0  0
M  END

$$$$
D00GRN
  -OEChem-10101305032D

 31 31  0     0  0  0  0  0  0999 V2000
    6.0010    0.2500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -2.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -3.7500    0.0000 O   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
    6.8671    1.7500    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    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991    3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -0.7500    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
    5.1350   -2.2500    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   -2.2500    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
    7.9451    1.6674    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3437    2.3577    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6550    2.3326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    7.5210    3.8326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1  8  1  0  0  0  0
  1 10  1  0  0  0  0
  2 11  1  0  0  0  0
  2 15  1  0  0  0  0
  3 14  1  0  0  0  0
  3 31  1  0  0  0  0
  4 13  2  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 16  1  0  0  0  0
  5 17  1  0  0  0  0
  6  8  1  0  0  0  0
  6 18  1  0  0  0  0
  6 19  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 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
  9 26  1  0  0  0  0
 10 11  1  0  0  0  0
 10 27  1  0  0  0  0
 10 28  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 12 29  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 30  1  0  0  0  0
M  END

$$$$
D00GSD
  -OEChem-10191522202D

 69 72  0     0  0  0  0  0  0999 V2000
    8.9282    1.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    8.9282    8.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    6.3301   -4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.4641   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.4641   -6.0000    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
    7.1962    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -6.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 33 34  1  0  0  0  0
 33 69  1  0  0  0  0
 34 35  1  0  0  0  0
M  END

$$$$
D00GTC
  -OEChem-10191521402D

 32 33  0     0  0  0  0  0  0999 V2000
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 16 30  1  0  0  0  0
 17 18  1  0  0  0  0
 17 31  1  0  0  0  0
M  END

$$$$
D00GTU
  -OEChem-10191522432D

 59 60  0     1  0  0  0  0  0999 V2000
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 18 20  1  0  0  0  0
 18 43  1  0  0  0  0
 18 44  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 23  1  0  0  0  0
 20 48  1  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
 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
 24 58  1  0  0  0  0
M  END

$$$$
D00GUE
  -OEChem-10101305032D

 47 50  0     0  0  0  0  0  0999 V2000
    6.3776   -0.6283    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    9.4426   -1.0077    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8602   -1.7122    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5686    0.7730    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.7215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.2215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.7215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.2215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5468    0.9809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0468    0.1149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.2215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.7785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -2.2215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.7215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9535    1.8944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0413    0.0103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.2215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.2785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -3.2215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.2215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -3.7215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.7785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9480    1.9990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3657    2.7035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4480   -0.9032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3548    2.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7725    3.6170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7670    3.7215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.1015    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    1.0885    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951   -1.9115    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.3415    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -1.9115    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6429    0.1603    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9980    0.6288    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.8985    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951   -3.5315    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -0.5315    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -3.5315    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3125    1.4974    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7491    2.6386    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -4.3415    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    1.0885    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9714    2.9773    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4080    4.1186    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0192    4.2879    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6947   -1.5741    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1 10  1  0  0  0  0
  2 25  1  0  0  0  0
  2 47  1  0  0  0  0
  3 25  2  0  0  0  0
  4  6  2  0  0  0  0
  4  9  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 29  1  0  0  0  0
  7 11  2  0  0  0  0
  7 13  1  0  0  0  0
  8 12  2  0  0  0  0
  8 14  1  0  0  0  0
  9 10  2  0  0  0  0
  9 15  1  0  0  0  0
 10 16  1  0  0  0  0
 11 17  1  0  0  0  0
 11 31  1  0  0  0  0
 12 18  1  0  0  0  0
 12 30  1  0  0  0  0
 13 19  2  0  0  0  0
 13 33  1  0  0  0  0
 14 20  2  0  0  0  0
 14 32  1  0  0  0  0
 15 23  2  0  0  0  0
 15 24  1  0  0  0  0
 16 25  1  0  0  0  0
 16 34  1  0  0  0  0
 16 35  1  0  0  0  0
 17 21  2  0  0  0  0
 17 37  1  0  0  0  0
 18 22  2  0  0  0  0
 18 36  1  0  0  0  0
 19 21  1  0  0  0  0
 19 39  1  0  0  0  0
 20 22  1  0  0  0  0
 20 38  1  0  0  0  0
 21 42  1  0  0  0  0
 22 43  1  0  0  0  0
 23 26  1  0  0  0  0
 23 40  1  0  0  0  0
 24 27  2  0  0  0  0
 24 41  1  0  0  0  0
 26 28  2  0  0  0  0
 26 44  1  0  0  0  0
 27 28  1  0  0  0  0
 27 45  1  0  0  0  0
 28 46  1  0  0  0  0
M  END

$$$$
D00GUG
  -OEChem-10101305022D

 49 53  0     0  0  0  0  0  0999 V2000
    3.8396    4.7909    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    5.5716    4.7708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5022   -3.2981    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6998    4.2809    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    6.3961   -1.7634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2622   -1.2634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3961   -2.7634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5022   -1.2287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1282   -1.7634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5961   -2.7842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5961   -1.7426    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2622   -3.2634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1282   -2.7634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2461   -0.2219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0382   -1.2566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5138   -0.2288    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.2876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1441    0.3059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0462   -0.2150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6536    0.2812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7359   -4.2876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8641   -2.7909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6651    1.2811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8718   -4.7909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.2942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5369    1.7710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8050    1.7911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0038   -4.2942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5484    2.7710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8165    2.7910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6883    3.2810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0604   -1.4305    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.2740   -4.5955    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8617   -2.1709    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8742   -5.4109    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4619   -2.9863    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0702    1.4549    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    3.2832    3.1072    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  2  4  2  0  0  0  0
  3  7  1  0  0  0  0
  3 10  2  0  0  0  0
  4 31  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  2  0  0  0  0
  5  8  1  0  0  0  0
  6  9  1  0  0  0  0
  6 14  2  0  0  0  0
  7 12  1  0  0  0  0
  8 11  2  0  0  0  0
  8 16  1  0  0  0  0
  9 13  1  0  0  0  0
  9 15  2  0  0  0  0
 10 11  1  0  0  0  0
 10 17  1  0  0  0  0
 11 32  1  0  0  0  0
 12 13  2  0  0  0  0
 12 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
 15 19  1  0  0  0  0
 15 37  1  0  0  0  0
 16 20  2  3  0  0  0
 16 36  1  0  0  0  0
 17 21  2  0  0  0  0
 17 22  1  0  0  0  0
 18 19  2  0  0  0  0
 18 38  1  0  0  0  0
 19 39  1  0  0  0  0
 20 23  1  0  0  0  0
 20 40  1  0  0  0  0
 21 24  1  0  0  0  0
 21 41  1  0  0  0  0
 22 25  2  0  0  0  0
 22 42  1  0  0  0  0
 23 26  2  0  0  0  0
 23 27  1  0  0  0  0
 24 28  2  0  0  0  0
 24 43  1  0  0  0  0
 25 28  1  0  0  0  0
 25 44  1  0  0  0  0
 26 29  1  0  0  0  0
 26 45  1  0  0  0  0
 27 30  2  0  0  0  0
 27 46  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 31  1  0  0  0  0
 30 49  1  0  0  0  0
M  CHG  2   1  -1   4   1
M  END

$$$$
D00GUM
  -OEChem-10121500272D

 87 89  0     1  0  0  0  0  0999 V2000
    5.4043   -4.6260    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4311    4.0191    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    4.9948    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    7.1363   -8.6260    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    5.2505    8.2250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6722   -1.6260    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    3.1722    0.5647    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    2.5487   -0.2172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7713   -1.1921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5732   -1.1921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1722    0.5647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7957   -0.2172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6722   -2.6260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.5382   -3.1260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.5382   -4.1260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8678    3.1928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9972    4.9200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.2703   -6.1260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5605    5.7463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2703   -7.1260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5577    5.6716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1363   -5.6260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1266    6.6473    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0023   -6.1260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6900    7.4735    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1363   -7.6260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1210    6.4978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6872    7.3988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.8684   -4.6260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2589    8.4492    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 31 68  1  0  0  0  0
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 35 36  2  0  0  0  0
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 39 70  1  0  0  0  0
 39 71  1  0  0  0  0
 39 72  1  0  0  0  0
 40 79  1  0  0  0  0
 40 80  1  0  0  0  0
 40 81  1  0  0  0  0
 41 76  1  0  0  0  0
 41 77  1  0  0  0  0
 41 78  1  0  0  0  0
 42 85  1  0  0  0  0
 42 86  1  0  0  0  0
 42 87  1  0  0  0  0
 43 82  1  0  0  0  0
 43 83  1  0  0  0  0
 43 84  1  0  0  0  0
M  END

$$$$
D00GVA
  -OEChem-10101305022D

 33 34  0     0  0  0  0  0  0999 V2000
    5.4641    3.0950    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.4641    3.0950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4641    3.0950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.9050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.9050    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0000   -3.9050    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    5.4641    2.0950    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
    6.3301    0.5950    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
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    4.5981    1.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8660   -2.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.2690   -4.2150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  1  3  2  0  0  0  0
  1  6  1  0  0  0  0
  1  9  1  0  0  0  0
  4 16  2  0  0  0  0
  5  8  1  0  0  0  0
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  5 27  1  0  0  0  0
  6 30  1  0  0  0  0
  6 31  1  0  0  0  0
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 10 15  1  0  0  0  0
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 10 21  1  0  0  0  0
 10 22  1  0  0  0  0
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 13 25  1  0  0  0  0
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 15 17  2  0  0  0  0
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 17 19  1  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 32  1  0  0  0  0
 20 33  1  0  0  0  0
M  END

$$$$
D00GVV
  -OEChem-10191522482D

 36 39  0     0  0  0  0  0  0999 V2000
    2.0000   -0.0200    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    7.1279   -1.0200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2386    1.8493    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5443   -1.8247    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.2273    1.7462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4335    0.7677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9716    2.4140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3840    0.4570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9221    2.1034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1283    1.1249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5705    0.2744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8335    0.9415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.1279   -1.0200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.0200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 10 28  1  0  0  0  0
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 13 32  1  0  0  0  0
 14 15  1  0  0  0  0
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 18 20  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
 21 36  1  0  0  0  0
M  END

$$$$
D00GYE
  -OEChem-10101305022D

 28 28  0     0  0  0  0  0  0999 V2000
    9.4651   -1.1900    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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    5.1350    0.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991   -0.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 13 24  1  0  0  0  0
 13 25  1  0  0  0  0
 13 26  1  0  0  0  0
M  END

$$$$
D00GYX
  -OEChem-10101305032D

 16 16  0     0  0  0  0  0  0999 V2000
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  7 14  1  0  0  0  0
  8 15  1  0  0  0  0
M  END

$$$$
D00HAJ
  -OEChem-04152110252D

132136  0     1  0  0  0  0  0999 V2000
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 51114  1  0  0  0  0
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 52116  1  0  0  0  0
 52117  1  0  0  0  0
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 53118  1  0  0  0  0
 54 62  2  0  0  0  0
 54119  1  0  0  0  0
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 56120  1  0  0  0  0
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 57121  1  0  0  0  0
 60122  1  0  0  0  0
 61 64  2  0  0  0  0
 61124  1  0  0  0  0
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 62125  1  0  0  0  0
 63 65  2  0  0  0  0
 63 66  1  0  0  0  0
 65 67  1  0  0  0  0
 65126  1  0  0  0  0
 66 68  2  0  0  0  0
 66127  1  0  0  0  0
 67 69  2  0  0  0  0
 67130  1  0  0  0  0
 68 69  1  0  0  0  0
 68131  1  0  0  0  0
 69132  1  0  0  0  0
M  END

$$$$
D00HAZ
  -OEChem-10101305032D

 32 35  0     0  0  0  0  0  0999 V2000
    2.0000   -0.6544    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4409    0.1776    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6671    0.0827    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3069    1.6776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4409    1.1776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3069    2.6776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5749   -0.3224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4718   -1.3112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5749    1.6776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4933   -1.5174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2009    1.1429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  3  1  0  0  0  0
  1 10  1  0  0  0  0
  2  5  1  0  0  0  0
  2  7  1  0  0  0  0
  2 21  1  0  0  0  0
  3  7  2  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4 11  2  0  0  0  0
  5  9  2  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
  8 10  1  0  0  0  0
  8 15  2  0  0  0  0
  9 14  1  0  0  0  0
  9 22  1  0  0  0  0
 10 18  2  0  0  0  0
 11 16  1  0  0  0  0
 11 23  1  0  0  0  0
 12 14  2  0  0  0  0
 12 24  1  0  0  0  0
 13 17  1  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 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
 18 20  1  0  0  0  0
 18 30  1  0  0  0  0
 19 20  2  0  0  0  0
 19 31  1  0  0  0  0
 20 32  1  0  0  0  0
M  END

$$$$
D00HCC
  -OEChem-10101305022D

 37 39  0     0  0  0  0  0  0999 V2000
    4.5981   -0.8100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.1900    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    2.1900    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.6900    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
    5.4641    1.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    1.6900    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
    5.4641   -1.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -1.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -2.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
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  3  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3 28  1  0  0  0  0
  4  6  1  0  0  0  0
  4 22  1  0  0  0  0
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  5  7  1  0  0  0  0
  5 20  1  0  0  0  0
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  6 24  1  0  0  0  0
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  7 26  1  0  0  0  0
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  8  9  1  0  0  0  0
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 10 12  1  0  0  0  0
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 13 32  1  0  0  0  0
 14 15  2  0  0  0  0
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 15 17  1  0  0  0  0
 15 33  1  0  0  0  0
 16 18  2  0  0  0  0
 16 34  1  0  0  0  0
 17 19  2  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
 19 37  1  0  0  0  0
M  END

$$$$
D00HCI
  -OEChem-10191521302D

 33 34  0     0  0  0  0  0  0999 V2000
    3.4030    0.3450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    2.8450    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
    5.1350    0.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    1.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -1.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -0.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -1.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    1.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    1.8450    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
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    6.0010    1.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  5  1  0  0  0  0
  1 17  1  0  0  0  0
  2 10  1  0  0  0  0
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 10 24  1  0  0  0  0
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 13 15  1  0  0  0  0
 13 28  1  0  0  0  0
 14 16  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
M  END

$$$$
D00HDH
          04081100432D 1   1.00000     0.00000     0

 27 30  0     1  0            999 V2000
  -11.5266    0.5860    0.0000 C   0  0  0  0  0  0           0  0  0
  -11.5020   -0.2453    0.0000 C   0  0  0  0  0  0           0  0  0
  -10.0944    0.6272    0.0000 C   0  0  0  0  0  0           0  0  0
  -10.8216    1.0226    0.0000 C   0  0  0  0  0  0           0  0  0
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  -10.7669   -0.6361    0.0000 N   0  0  3  0  0  0           0  0  0
  -10.5778   -1.4392    0.0000 N   0  0  0  0  0  0           0  0  0
   -9.7576   -1.5044    0.0000 C   0  0  0  0  0  0           0  0  0
   -9.4338   -0.7358    0.0000 C   0  0  0  0  0  0           0  0  0
   -8.6231   -0.5725    0.0000 C   0  0  0  0  0  0           0  0  0
   -8.0402   -1.1627    0.0000 N   0  0  0  0  0  0           0  0  0
   -7.3018   -0.7931    0.0000 C   0  0  0  0  0  0           0  0  0
   -7.4274    0.0239    0.0000 S   0  0  0  0  0  0           0  0  0
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   -8.6151    0.9064    0.0000 Cl  0  0  0  0  0  0           0  0  0
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   -6.5368   -1.9979    0.0000 O   0  0  0  0  0  0           0  0  0
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 12 13  1  0     0  0
 13 14  1  0     0  0
 14 10  2  0     0  0
  9 10  1  0     0  0
  2  6  1  0     0  0
 14 15  1  0     0  0
  5  3  1  0     0  0
 12 16  1  0     0  0
  6  7  1  0     0  0
 16 17  1  0     0  0
  7  8  2  0     0  0
 16 18  2  0     0  0
  8  9  1  0     0  0
 19 17  1  1     0  0
 19 20  1  0     0  0
  9  5  2  0     0  0
 10 11  1  0     0  0
  3  4  2  0     0  0
  5  6  1  0     0  0
 19 24  1  0     0  0
 20 21  1  0     0  0
 21 22  1  0     0  0
 22 23  1  0     0  0
 23 24  1  0     0  0
  1  2  2  0     0  0
 24 25  1  0     0  0
  1  4  1  0     0  0
 24 26  1  0     0  0
 11 12  2  0     0  0
 20 27  1  6     0  0
M  END

$$$$
D00HET
  -OEChem-10101305032D

 43 46  0     0  0  0  0  0  0999 V2000
    9.9939   -1.9961    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    2.4680    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    7.9939    1.4680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9939    1.4680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 25 43  1  0  0  0  0
M  END

$$$$
D00HFS
  -OEChem-10101305032D

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M  END

$$$$
D00HFT
  -OEChem-10101305032D

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 41 75  1  0  0  0  0
 42 76  1  0  0  0  0
 42 77  1  0  0  0  0
 42 78  1  0  0  0  0
M  END

$$$$
D00HFV
  -OEChem-10101305022D

 31 32  0     0  0  0  0  0  0999 V2000
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 17 27  1  0  0  0  0
 18 28  1  0  0  0  0
M  END

$$$$
D00HHK
  -OEChem-10101305022D

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 24 49  1  0  0  0  0
M  END

$$$$
D00HIG
  -OEChem-10101305032D

 53 55  0     1  0  0  0  0  0999 V2000
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 24 25  2  0  0  0  0
 24 52  1  0  0  0  0
 25 53  1  0  0  0  0
M  END

$$$$
D00HIH
  -OEChem-10191522202D

 45 48  0     1  0  0  0  0  0999 V2000
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 24 45  1  0  0  0  0
M  END

$$$$
D00HKQ
  -OEChem-10191521582D

 48 50  0     0  0  0  0  0  0999 V2000
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M  END

$$$$
D00HLW
  -OEChem-10191522512D

 64 67  0     0  0  0  0  0  0999 V2000
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 35 62  1  0  0  0  0
 35 63  1  0  0  0  0
 35 64  1  0  0  0  0
M  END

$$$$
D00HNG
  -OEChem-10191521482D

 73 76  0     0  0  0  0  0  0999 V2000
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 36 71  1  0  0  0  0
 36 72  1  0  0  0  0
 36 73  1  0  0  0  0
M  END

$$$$
D00HSG
  -OEChem-10101305022D

 26 27  0     0  0  0  0  0  0999 V2000
    6.8671    0.5000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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    5.1350   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.4030   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -2.0000    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
    4.2690    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 10 14  1  0  0  0  0
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 13 15  1  0  0  0  0
 13 22  1  0  0  0  0
 14 15  2  0  0  0  0
 14 23  1  0  0  0  0
 15 24  1  0  0  0  0
M  END

$$$$
D00HSJ
  -OEChem-10191522362D

 41 43  0     1  0  0  0  0  0999 V2000
    2.0000   -1.5880    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
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    3.7320   -4.2080    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -3.3980    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 26  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  2  0  0  0  0
  2  7  1  0  0  0  0
  2 12  1  0  0  0  0
  5 11  1  0  0  0  0
  6 11  2  0  0  0  0
  7  9  1  0  0  0  0
  7 21  1  0  0  0  0
  8 16  1  0  0  0  0
  8 18  1  0  0  0  0
  8 24  1  0  0  0  0
  9 22  2  0  0  0  0
 10 18  2  0  0  0  0
 10 23  1  0  0  0  0
 11 17  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 13 15  1  0  0  0  0
 13 19  1  0  0  0  0
 14 17  2  0  0  0  0
 14 28  1  0  0  0  0
 15 20  2  0  0  0  0
 15 29  1  0  0  0  0
 16 22  1  0  0  0  0
 16 23  2  0  0  0  0
 17 20  1  0  0  0  0
 18 25  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
 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
 22 37  1  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 27  2  0  0  0  0
 25 40  1  0  0  0  0
 26 27  1  0  0  0  0
 27 41  1  0  0  0  0
M  CHG  2   5  -1  11   1
M  END

$$$$
D00HUB
  BIDD-NUS20110812001D

 21 23  0     0  0            999 V2000
    0.5792    0.7583    0.0000 C   0  0  0  0  0  0           0  0  0
    1.3000    0.3458    0.0000 C   0  0  0  0  0  0           0  0  0
    1.3000   -0.4792    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.1333    0.3458    0.0000 C   0  0  0  0  0  0           0  0  0
    0.5792    1.5833    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.5583   -0.4792    0.0000 N   0  0  0  0  0  0           0  0  0
    2.0042    0.7625    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.1333   -0.4792    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.8458   -0.8917    0.0000 C   0  0  0  0  0  0           0  0  0
    0.5792   -0.8917    0.0000 C   0  0  0  0  0  0           0  0  0
   -2.2750   -0.8917    0.0000 O   0  0  0  0  0  0           0  0  0
    1.2917    1.9958    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.1333    1.9875    0.0000 C   0  0  0  0  0  0           0  0  0
    2.0042    1.5833    0.0000 C   0  0  0  0  0  0           0  0  0
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    3.4375    0.7625    0.0000 C   0  0  0  0  0  0           0  0  0
    2.7125    2.0000    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.1458    2.8083    0.0000 C   0  0  0  0  0  0           0  0  0
    1.2917    2.8208    0.0000 C   0  0  0  0  0  0           0  0  0
    3.4292    1.5958    0.0000 C   0  0  0  0  0  0           0  0  0
    0.5750    3.2333    0.0000 C   0  0  0  0  0  0           0  0  0
  2  1  2  0     0  0
  3  2  1  0     0  0
  4  1  1  0     0  0
  5  1  1  0     0  0
  6  9  2  0     0  0
  7  2  1  0     0  0
  8  4  2  0     0  0
  9  8  1  0     0  0
 10  8  1  0     0  0
 11  6  1  0     0  0
 12  5  2  0     0  0
 13  5  1  0     0  0
 14  7  1  0     0  0
 15  7  2  0     0  0
 16 15  1  0     0  0
 17 14  2  0     0  0
 18 13  2  0     0  0
 19 12  1  0     0  0
 20 16  2  0     0  0
 21 18  1  0     0  0
  3 10  2  0     0  0
 21 19  2  0     0  0
 20 17  1  0     0  0
M  ENDM  END

$$$$
D00HUP
  -OEChem-10101305032D

 35 38  0     0  0  0  0  0  0999 V2000
    6.4103   -0.6953    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4103   -2.3047    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.5000    0.0000 N   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
    3.7320   -1.0000    0.0000 N   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
    6.9939   -1.5000    0.0000 C   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
    4.5981   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9939   -1.5000    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
    8.4939   -2.3660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4939   -0.6340    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
    3.7320    2.0000    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
    9.4939   -2.3660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4939   -0.6340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9939   -1.5000    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
    2.0000    1.0000    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
    6.6029   -0.1059    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    3.1951   -2.3100    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
    2.8660   -0.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8039   -2.9030    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8039   -0.0970    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6139   -1.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    3.1200    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
    1.4631    2.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  7  1  0  0  0  0
  1 23  1  0  0  0  0
  2  7  2  0  0  0  0
  2  8  1  0  0  0  0
  3  9  1  0  0  0  0
  3 11  1  0  0  0  0
  3 24  1  0  0  0  0
  4  8  1  0  0  0  0
  4 14  2  0  0  0  0
  5  9  2  0  0  0  0
  5 14  1  0  0  0  0
  6  8  2  0  0  0  0
  6  9  1  0  0  0  0
  7 10  1  0  0  0  0
 10 12  2  0  0  0  0
 10 13  1  0  0  0  0
 11 15  2  0  0  0  0
 11 16  1  0  0  0  0
 12 17  1  0  0  0  0
 12 25  1  0  0  0  0
 13 18  2  0  0  0  0
 13 26  1  0  0  0  0
 14 27  1  0  0  0  0
 15 20  1  0  0  0  0
 15 28  1  0  0  0  0
 16 21  2  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 19  1  0  0  0  0
 18 31  1  0  0  0  0
 19 32  1  0  0  0  0
 20 22  2  0  0  0  0
 20 33  1  0  0  0  0
 21 22  1  0  0  0  0
 21 34  1  0  0  0  0
 22 35  1  0  0  0  0
M  END

$$$$
D00HUV
  -OEChem-10101305032D

 37 39  0     0  0  0  0  0  0999 V2000
    6.3301   -0.8030    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.1970    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.1424   -3.6077    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.1424   -1.9982    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.6970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.3030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.1970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -2.3030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -1.8030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -3.3030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.6970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8660    2.1970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8660    4.1970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  6  1  0  0  0  0
  1  9  1  0  0  0  0
  2  5  1  0  0  0  0
  2  7  1  0  0  0  0
  2 27  1  0  0  0  0
  3 10  1  0  0  0  0
  3 17  1  0  0  0  0
  3 30  1  0  0  0  0
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  5 22  1  0  0  0  0
  6 23  1  0  0  0  0
  6 24  1  0  0  0  0
  7 11  1  0  0  0  0
  7 25  1  0  0  0  0
  7 26  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  2  0  0  0  0
  9 12  2  0  0  0  0
 10 13  1  0  0  0  0
 11 15  2  0  0  0  0
 11 16  1  0  0  0  0
 12 14  1  0  0  0  0
 12 28  1  0  0  0  0
 13 14  2  0  0  0  0
 13 29  1  0  0  0  0
 14 31  1  0  0  0  0
 15 18  1  0  0  0  0
 15 32  1  0  0  0  0
 16 19  2  0  0  0  0
 16 33  1  0  0  0  0
 17 34  1  0  0  0  0
 18 20  2  0  0  0  0
 18 35  1  0  0  0  0
 19 20  1  0  0  0  0
 19 36  1  0  0  0  0
 20 37  1  0  0  0  0
M  END

$$$$
D00HUY
  -OEChem-10101305022D

 51 53  0     1  0  0  0  0  0999 V2000
    7.6138    0.0861    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3246   -1.0707    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7320   -0.8373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.8373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2619   -1.3373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9065   -0.9901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5493    0.7047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2171   -0.0396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.5743   -1.7344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8600    1.6552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.8238    0.0883    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   11.1129   -2.1485    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9884   -2.1959    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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 26 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

$$$$
D00HVA
  -OEChem-10191522162D

 46 47  0     0  0  0  0  0  0999 V2000
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 25 44  1  0  0  0  0
 25 45  1  0  0  0  0
 25 46  1  0  0  0  0
M  END

$$$$
D00HVP
  -OEChem-10101305022D

 56 60  0     0  0  0  0  0  0999 V2000
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 28 29  2  0  0  0  0
 28 30  1  0  0  0  0
 29 51  1  0  0  0  0
 30 52  1  0  0  0  0
 31 32  1  0  0  0  0
 32 53  1  0  0  0  0
M  END

$$$$
D00HVX
  -OEChem-10101305022D

 20 22  0     0  0  0  0  0  0999 V2000
    4.3958   -2.2846    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  9  2  0  0  0  0
  2  4  1  0  0  0  0
  2  6  1  0  0  0  0
  2  8  1  0  0  0  0
  3  7  1  0  0  0  0
  3  9  1  0  0  0  0
  3 15  1  0  0  0  0
  4 14  2  0  0  0  0
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  7 11  2  0  0  0  0
  8  9  1  0  0  0  0
 10 12  1  0  0  0  0
 10 16  1  0  0  0  0
 11 13  1  0  0  0  0
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 12 13  2  0  0  0  0
 12 18  1  0  0  0  0
 13 19  1  0  0  0  0
 14 20  1  0  0  0  0
M  END

$$$$
D00HVZ
  -OEChem-10101305032D

 37 39  0     1  0  0  0  0  0999 V2000
    7.1962   -0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 21 35  1  0  0  0  0
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 21 37  1  0  0  0  0
M  END

$$$$
D00HWD
  -OEChem-04152110382D

 14 13  0     0  0  0  0  0  0999 V2000
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  1  6  1  0  0  0  0
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  7  8  1  0  0  0  0
  7 10  1  0  0  0  0
  7 11  1  0  0  0  0
M  END

$$$$
D00HWF
  -OEChem-10111523252D

 32 33  0     0  0  0  0  0  0999 V2000
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M  END

$$$$
D00HWJ
  -OEChem-10191521592D

 66 70  0     1  0  0  0  0  0999 V2000
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 36 60  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

$$$$
D00HXX
  -OEChem-10191522382D

 46 48  0     0  0  0  0  0  0999 V2000
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 26 43  1  0  0  0  0
 27 44  1  0  0  0  0
M  END

$$$$
D00HXZ
  -OEChem-10101305022D

 50 55  0     0  0  0  0  0  0999 V2000
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 29 31  1  0  0  0  0
 29 48  1  0  0  0  0
 30 31  2  0  0  0  0
 30 49  1  0  0  0  0
 31 50  1  0  0  0  0
M  END

$$$$
D00HYL
  -OEChem-04152110202D

261262  0     1  0  0  0  0  0999 V2000
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M  END

$$$$
D00HYO
  -OEChem-10101305022D

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M  END

$$$$
D00HYS
  -OEChem-10101305022D

 33 35  0     0  0  0  0  0  0999 V2000
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  1  5  2  0  0  0  0
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  2  6  1  0  0  0  0
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 10 15  1  0  0  0  0
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 13 25  1  0  0  0  0
 15 19  2  0  0  0  0
 15 26  1  0  0  0  0
 16 19  1  0  0  0  0
 16 27  1  0  0  0  0
 17 20  2  0  0  0  0
 17 28  1  0  0  0  0
 18 20  1  0  0  0  0
 18 29  1  0  0  0  0
 19 30  1  0  0  0  0
 20 31  1  0  0  0  0
M  END

$$$$
D00HZT
  -OEChem-04152110232D

 32 35  0     0  0  0  0  0  0999 V2000
    5.5918   -0.5411    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9570    2.4718    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6200   -2.4823    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.5609    0.9477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.6949    0.4477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.4952    2.1639    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.4823    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  1 12  1  0  0  0  0
  2 17  1  0  0  0  0
  2 31  1  0  0  0  0
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  4  9  2  0  0  0  0
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  5  8  2  0  0  0  0
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 10 11  2  0  0  0  0
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 18 28  1  0  0  0  0
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 20 21  1  0  0  0  0
 21 30  1  0  0  0  0
M  END

$$$$
D00IAE
  -OEChem-10101305022D

 25 25  0     0  0  0  0  0  0999 V2000
    5.1350    2.7500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.1350    2.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1350    2.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -1.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -1.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    5.1350   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  1  3  2  0  0  0  0
  1  6  1  0  0  0  0
  1  7  1  0  0  0  0
  4 13  1  0  0  0  0
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 10 12  2  0  0  0  0
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 11 19  1  0  0  0  0
 12 20  1  0  0  0  0
 14 15  1  0  0  0  0
 14 23  1  0  0  0  0
 14 24  1  0  0  0  0
 15 16  3  0  0  0  0
 16 25  1  0  0  0  0
M  END

$$$$
D00IAK
  -OEChem-10101305022D

 37 36  0     0  0  0  0  0  0999 V2000
    8.9282   -0.1830    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   12.3923    0.8170    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   12.0263   -0.5490    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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   10.6603   -1.1830    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 10 12  1  0  0  0  0
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 13 15  1  0  0  0  0
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 16 18  1  0  0  0  0
 17 35  1  0  0  0  0
 17 36  1  0  0  0  0
 17 37  1  0  0  0  0
M  END

$$$$
D00IBG
  -OEChem-10191522092D

 52 54  0     1  0  0  0  0  0999 V2000
    3.3100    3.6123    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
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 15  2  1  6  0  0  0
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 16  3  1  1  0  0  0
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 18  4  1  6  0  0  0
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 11 17  1  0  0  0  0
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 17 35  1  0  0  0  0
 18 22  1  0  0  0  0
 18 36  1  0  0  0  0
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 20 24  1  0  0  0  0
 21 26  1  0  0  0  0
 22 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
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 27 30  1  0  0  0  0
 29 44  1  0  0  0  0
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 29 46  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
M  END

$$$$
D00ICA
  -OEChem-10191521392D

 48 50  0     1  0  0  0  0  0999 V2000
    5.9819    2.1961    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
    4.6968    3.3573    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
    3.4116    4.5185    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    6.9853   -0.7247    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3312   -1.8166    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3350    0.3590    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2893    1.2445    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6746    3.1477    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0304    1.8887    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9335    2.5034    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.3632    4.8258    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.3148   -2.7900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.5827   -2.7900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4252   -1.8396    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    8.0093   -1.9739    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9623    0.1813    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8812    1.1201    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4646   -3.2900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0458   -2.4800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.9118   -5.6000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    3.3033    3.1068    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4980    5.6000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    4.6267    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
  1  9  1  0  0  0  0
  1 10  2  0  0  0  0
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  2 21  1  0  0  0  0
  3 13  1  0  0  0  0
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  3 21  1  0  0  0  0
  4 24  1  0  0  0  0
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 22  5  1  1  0  0  0
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 23  6  1  1  0  0  0
  6 39  1  0  0  0  0
  7 26  1  0  0  0  0
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 11 46  1  0  0  0  0
 13 47  1  0  0  0  0
 14 48  1  0  0  0  0
 24 16  1  6  0  0  0
 16 27  1  0  0  0  0
 16 28  1  0  0  0  0
 17 28  2  0  0  0  0
 17 29  1  0  0  0  0
 18 27  2  0  0  0  0
 18 31  1  0  0  0  0
 19 30  1  0  0  0  0
 19 31  2  0  0  0  0
 20 30  1  0  0  0  0
 20 43  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  1  0  0  0  0
 22 32  1  0  0  0  0
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 25 26  1  6  0  0  0
 25 35  1  0  0  0  0
 26 36  1  0  0  0  0
 26 37  1  0  0  0  0
 27 29  1  0  0  0  0
 28 40  1  0  0  0  0
 29 30  2  0  0  0  0
 31 41  1  0  0  0  0
M  END

$$$$
D00IFJ
  -OEChem-10101305022D

 28 30  0     0  0  0  0  0  0999 V2000
    2.0000   -1.7914    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6641   -0.2673    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6641   -1.2673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5301   -1.7673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3961   -1.2673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7702    0.2674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5301    0.2327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3961   -0.2673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8641   -0.2465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7702   -1.8020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8641   -1.2881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5141    1.2742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3062    0.2395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4121    1.8020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3142    1.2812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1316   -2.2422    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9286   -2.2422    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6082   -1.8499    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0067   -1.1596    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1748    0.7371    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3765    0.7464    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6550    0.3372    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7773   -2.4219    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9736    1.5780    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    6.4097    2.4220    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8523    1.5891    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  2  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
  3  4  1  0  0  0  0
  3 10  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  8  1  0  0  0  0
  5 18  1  0  0  0  0
  5 19  1  0  0  0  0
  6  9  1  0  0  0  0
  6 20  1  0  0  0  0
  6 21  1  0  0  0  0
  7  8  1  0  0  0  0
  7 12  2  0  0  0  0
  8 13  2  0  0  0  0
  9 11  1  0  0  0  0
  9 22  1  0  0  0  0
  9 23  1  0  0  0  0
 10 11  1  0  0  0  0
 10 24  1  0  0  0  0
 12 14  1  0  0  0  0
 12 25  1  0  0  0  0
 13 15  1  0  0  0  0
 13 26  1  0  0  0  0
 14 15  2  0  0  0  0
 14 27  1  0  0  0  0
 15 28  1  0  0  0  0
M  END

$$$$
D00IGI
  -OEChem-10101305022D

 21 20  0     1  0  0  0  0  0999 V2000
    3.4030   -0.4050    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -0.9050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9030    0.4610    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9030   -1.2710    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    0.0950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -1.4050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    1.0950    0.0000 N   0  0  0  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
    4.2690    0.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    0.0950    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.8671   -0.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7365   -0.8799    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.6675    0.5699    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8705    0.5699    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5380    0.4050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5380    1.4050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.4050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    3.2130    0.9980    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2700   -0.2150    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 19  1  0  0  0  0
  3 20  1  0  0  0  0
  5 11  1  0  0  0  0
  5 21  1  0  0  0  0
  6 11  2  0  0  0  0
  7 10  1  0  0  0  0
  7 17  1  0  0  0  0
  7 18  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 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  1  0  0  0  0
M  END

$$$$
D00IIQ
  -OEChem-10101305022D

 35 36  0     1  0  0  0  0  0999 V2000
    5.4921    3.7694    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.7601    3.7694    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7601   -2.2306    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    4.6261    3.2694    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    2.9511   -2.8184    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.2601   -3.7694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5691   -2.8184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2601   -3.7694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7601   -1.2306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.5094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6261   -0.7306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6261    0.2694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4921    0.7694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7601    0.7694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4921    1.7694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7601    1.7694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6261    2.2694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8541   -2.2060    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6536   -3.8983    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3249   -4.3860    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8791   -2.2814    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    1.4103   -2.3178    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0291    0.4594    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2231    0.4594    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    3.2231    2.0794    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  2  4  2  0  0  0  0
  3  5  1  0  0  0  0
  3  7  1  0  0  0  0
  3  9  1  0  0  0  0
  4 17  1  0  0  0  0
  5  6  1  0  0  0  0
  5 10  1  6  0  0  0
  5 18  1  0  0  0  0
  6  8  1  0  0  0  0
  6 19  1  0  0  0  0
  6 20  1  0  0  0  0
  7  8  1  0  0  0  0
  7 21  1  0  0  0  0
  7 22  1  0  0  0  0
  8 23  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 27  1  0  0  0  0
 10 28  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 13  2  0  0  0  0
 12 14  1  0  0  0  0
 13 15  1  0  0  0  0
 13 32  1  0  0  0  0
 14 16  2  0  0  0  0
 14 33  1  0  0  0  0
 15 17  2  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
M  CHG  2   1  -1   4   1
M  END

$$$$
D00IKQ
  -OEChem-10101305032D

 20 20  0     0  0  0  0  0  0999 V2000
    4.5981    0.8450    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.1550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5981    0.8450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5981    0.8450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.8450    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.6550    0.0000 N   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   -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
    3.7320   -1.6550    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
    2.0000   -0.6550    0.0000 C   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
    3.1951   -1.9650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    5.1350    2.1550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0611    2.1550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -0.1181    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -0.9650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   -1.1919    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  5  1  0  0  0  0
  1  7  1  0  0  0  0
  2  8  1  0  0  0  0
  2 12  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 11  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  8 10  1  0  0  0  0
  9 13  1  0  0  0  0
 10 11  2  0  0  0  0
 10 14  1  0  0  0  0
 11 15  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
M  END

$$$$
D00IMW
  -OEChem-10121500332D

 86 91  0     1  0  0  0  0  0999 V2000
    8.0197    1.4757    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
    8.8857   -0.0243    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
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    9.7517   -4.5242    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4838   -2.5242    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8857   -1.0243    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5197    2.3418    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8857   -3.0242    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    9.8857   -0.0243    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.2322   -8.5588    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.0139   -5.5001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   11.4838   -5.5242    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   11.4838   -7.5242    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.2437   -5.4896    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.1498   -7.0451    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7229    6.7923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6178   -4.0242    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.6178   -3.0242    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.4838   -4.5242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8100    7.2006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6178   -6.0242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.3498   -6.0242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1028    5.6195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6178   -7.0242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.3498   -7.0242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.8178   -7.0451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2437   -7.5589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.1498   -6.0034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4828    3.2333    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   10.0808   -3.7142    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1547   -3.3342    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.0944   -4.6319    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.6958   -3.9416    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7517   -3.1442    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3623   -1.6319    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9638   -0.9416    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6006    5.2559    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7310   -4.8696    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   11.4838   -1.9042    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7310   -8.1789    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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 36  9  1  1  0  0  0
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 26 50  1  0  0  0  0
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 27 28  1  0  0  0  0
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 28 30  1  0  0  0  0
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 30 31  1  6  0  0  0
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 31 59  1  0  0  0  0
 32 34  1  0  0  0  0
 33 62  1  0  0  0  0
 34 39  2  0  0  0  0
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 35 63  1  0  0  0  0
 36 38  1  0  0  0  0
 36 64  1  0  0  0  0
 37 65  1  0  0  0  0
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 38 41  1  0  0  0  0
 38 67  1  0  0  0  0
 40 44  2  0  0  0  0
 40 45  1  0  0  0  0
 41 68  1  0  0  0  0
 41 69  1  0  0  0  0
 42 46  1  0  0  0  0
 43 70  1  0  0  0  0
 44 48  1  0  0  0  0
 45 47  2  0  0  0  0
 45 71  1  0  0  0  0
 46 50  1  0  0  0  0
 47 49  1  0  0  0  0
 47 51  1  0  0  0  0
 48 49  2  0  0  0  0
 48 74  1  0  0  0  0
 49 52  1  0  0  0  0
 51 79  1  0  0  0  0
 51 80  1  0  0  0  0
 51 81  1  0  0  0  0
 52 82  1  0  0  0  0
 52 83  1  0  0  0  0
 52 84  1  0  0  0  0
M  END

$$$$
D00IOF
  -OEChem-10191522372D

 58 62  0     1  0  0  0  0  0999 V2000
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    5.4092   -3.6437    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    7.3536    0.5059    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6117    2.6065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8027    3.1942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1117    4.1453    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.3080    1.6627    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.4207    3.1942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.7658   -0.3031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1835   -1.0076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3481    0.4014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5902   -1.9212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.1561   -1.5303    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.3509   -0.4667    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   10.7225   -1.2781    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0447   -4.1453    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 20  2  0  0  0  0
  2 21  2  0  0  0  0
  3 26  1  0  0  0  0
  3 58  1  0  0  0  0
  4 17  1  0  0  0  0
  4 18  1  0  0  0  0
  4 42  1  0  0  0  0
  5 17  2  0  0  0  0
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  6 19  1  0  0  0  0
  6 21  1  0  0  0  0
  6 22  1  0  0  0  0
  7 20  1  0  0  0  0
  7 21  1  0  0  0  0
  7 23  1  0  0  0  0
  8  9  1  0  0  0  0
  8 12  1  0  0  0  0
  8 13  1  0  0  0  0
  8 17  1  0  0  0  0
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  9 29  1  0  0  0  0
 10 12  1  0  0  0  0
 10 14  1  0  0  0  0
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 10 30  1  0  0  0  0
 11 13  1  0  0  0  0
 11 15  1  0  0  0  0
 11 16  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 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
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 22 24  1  0  0  0  0
 22 43  1  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
 23 46  1  0  0  0  0
 24 26  1  0  0  0  0
 24 47  1  0  0  0  0
 24 48  1  0  0  0  0
 25 27  1  0  0  0  0
 25 49  1  0  0  0  0
 25 50  1  0  0  0  0
 26 51  1  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
 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

$$$$
D00IPO
  -OEChem-10101305022D

 30 30  0     1  0  0  0  0  0999 V2000
    5.4641    2.5950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    1.0950    0.0000 O   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
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    4.5981    0.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.0950    0.0000 C   0  0  3  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
    4.5981   -1.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.4050    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
    5.4641   -1.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.2850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.7150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.5981   -2.5250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    1.4631   -1.0950    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -1.9419    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4860   -2.9050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.0420    2.1319    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    3.4220    1.0581    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1 14  1  0  0  0  0
  1 30  1  0  0  0  0
  2 14  2  0  0  0  0
  3  4  1  0  0  0  0
  3  9  1  0  0  0  0
  3 10  1  0  0  0  0
  3 15  1  0  0  0  0
  4  7  2  0  0  0  0
  4  8  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 11  2  0  0  0  0
  6 13  1  0  0  0  0
  6 14  1  0  0  0  0
  6 16  1  0  0  0  0
  7 17  1  0  0  0  0
  8 12  2  0  0  0  0
  8 18  1  0  0  0  0
  9 19  1  0  0  0  0
  9 20  1  0  0  0  0
  9 24  1  0  0  0  0
 10 21  1  0  0  0  0
 10 22  1  0  0  0  0
 10 23  1  0  0  0  0
 11 12  1  0  0  0  0
 11 25  1  0  0  0  0
 12 26  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
M  END

$$$$
D00IPP
  -OEChem-10101305022D

 34 34  0     1  0  0  0  0  0999 V2000
    5.4641   -0.8722    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5661   -0.0716    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.6278    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.8722    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1013    1.5757    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4071    1.2156    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.0981    2.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7891    1.2156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0981    2.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.8722    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.5981   -0.3722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.3722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3582    0.9066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.8722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.6278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5041    0.6032    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7045    2.2956    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0333    2.7833    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2227    1.4678    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.3100   -1.4091    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951   -2.1822    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    7.6910    1.3841    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9724    2.1822    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  2  0  0  0  0
  2 13  2  0  0  0  0
  3  6  1  0  0  0  0
  3  8  1  0  0  0  0
  3 11  1  0  0  0  0
 10  4  1  1  0  0  0
  4 31  1  0  0  0  0
  4 32  1  0  0  0  0
  5 13  1  0  0  0  0
  5 33  1  0  0  0  0
  5 34  1  0  0  0  0
  6  7  1  0  0  0  0
  6 13  1  1  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  9  1  0  0  0  0
  8 19  1  0  0  0  0
  8 20  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 12  1  0  0  0  0
 10 23  1  0  0  0  0
 12 14  1  0  0  0  0
 12 15  1  0  0  0  0
 12 24  1  0  0  0  0
 14 28  1  0  0  0  0
 14 29  1  0  0  0  0
 14 30  1  0  0  0  0
 15 25  1  0  0  0  0
 15 26  1  0  0  0  0
 15 27  1  0  0  0  0
M  END

$$$$
D00IQV
  -OEChem-04152111332D

198201  0     1  0  0  0  0  0999 V2000
    3.4030    5.8100    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   19.3697   -1.1360    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.9660   -0.8781    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.1254   -1.6900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.3604    0.4943    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.5273   -4.1900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.3933    0.3100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9292   -1.6900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.7953   -6.1900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0632   -1.1900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651    1.3100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    4.3100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.4030    6.8100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4030    5.8100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    1.8100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.9050   -2.7833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   21.7617    1.5124    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   21.2718   -0.5180    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   17.2594   -3.1900    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   19.1849    2.1123    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.6613   -2.6900    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   25.1955   -2.8855    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   22.9819    4.2530    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.0632   -3.1900    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   18.1254    0.3100    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.3312   -1.1900    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   24.3832    5.2711    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   22.8008    5.9756    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.5273   -6.1900    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   18.9914   -3.1900    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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 82172  1  0  0  0  0
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 87181  1  0  0  0  0
 87182  1  0  0  0  0
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 89184  1  0  0  0  0
 90185  1  0  0  0  0
 90186  1  0  0  0  0
 90187  1  0  0  0  0
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 93 96  1  0  0  0  0
 93189  1  0  0  0  0
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 95191  1  0  0  0  0
 95192  1  0  0  0  0
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 97 98  1  0  0  0  0
 97195  1  0  0  0  0
 98198  1  0  0  0  0
M  END

$$$$
D00IRL
  -OEChem-10101305022D

 38 40  0     0  0  0  0  0  0999 V2000
   10.6603   -1.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    2.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.2500    0.0000 O   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
    9.7942   -0.2500    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
   10.6603   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    0.7500    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
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    2.0000   -1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1928    0.2249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   11.2708   -0.8577    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8723   -0.1674    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   10.1928   -2.7250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1  8  1  0  0  0  0
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  2 10  1  0  0  0  0
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  3 14  2  0  0  0  0
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  5 10  1  0  0  0  0
  6  8  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 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
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 10 11  2  0  0  0  0
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 11 30  1  0  0  0  0
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 16 32  1  0  0  0  0
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 18 20  2  0  0  0  0
 18 34  1  0  0  0  0
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 19 35  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
M  END

$$$$
D00IUB
  -OEChem-10101305032D

 28 28  0     0  0  0  0  0  0999 V2000
    6.2089    5.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    5.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.4030    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    1.4030    4.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.2089    2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2690    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0749    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  5  1  0  0  0  0
  1 28  1  0  0  0  0
  2  6  1  0  0  0  0
  2 27  1  0  0  0  0
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 10 13  1  0  0  0  0
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 13 24  1  0  0  0  0
 14 23  1  0  0  0  0
 15 26  1  0  0  0  0
 16 25  1  0  0  0  0
M  END

$$$$
D00IUN
  -OEChem-10101305022D

 32 34  0     1  0  0  0  0  0999 V2000
    3.3660   -3.6206    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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 10 25  1  0  0  0  0
 11 26  1  0  0  0  0
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 13 28  1  0  0  0  0
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 14 17  2  0  0  0  0
 15 29  1  0  0  0  0
 16 18  2  0  0  0  0
 16 30  1  0  0  0  0
 17 31  1  0  0  0  0
 18 32  1  0  0  0  0
M  END

$$$$
D00IWH
  -OEChem-10191522362D

 32 32  0     1  0  0  0  0  0999 V2000
    4.5981    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0010    3.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1541    4.0369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7741    2.9631    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291    0.3100    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
    4.2690   -1.1900    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
    4.2690   -2.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  2  0  0  0  0
  2 13  1  0  0  0  0
  3 13  2  0  0  0  0
  4  8  1  0  0  0  0
  5  8  2  0  0  0  0
 10  6  1  1  0  0  0
  6 25  1  0  0  0  0
  6 26  1  0  0  0  0
  6 27  1  0  0  0  0
  7 12  1  0  0  0  0
  7 14  1  0  0  0  0
  7 28  1  0  0  0  0
  8 17  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 20  1  0  0  0  0
  9 21  1  0  0  0  0
 10 13  1  0  0  0  0
 10 22  1  0  0  0  0
 11 12  1  0  0  0  0
 11 23  1  0  0  0  0
 11 24  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
 15 29  1  0  0  0  0
 16 19  2  0  0  0  0
 16 30  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 18 31  1  0  0  0  0
 19 32  1  0  0  0  0
M  CHG  4   2  -1   4  -1   6   1   8   1
M  END

$$$$
D00IXB
  -OEChem-10101305022D

 38 40  0     1  0  0  0  0  0999 V2000
    6.9343   -0.8326    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5381   -1.3567    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7202    2.2125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0682   -1.3325    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.2022   -0.8326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2022    0.1674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0682    0.6674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0682   -2.3326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9343    0.1674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3083   -1.3672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3083    0.7021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8443    0.6743    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4022   -0.8534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0522    1.7090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9343   -2.8326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4022    0.1883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3198   -2.3671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8523    1.7159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9502    2.2367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7045    0.1643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6052   -1.6426    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4577   -2.2249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8562   -2.9152    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3154    1.3221    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5117    2.0127    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6243   -3.3695    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4712   -3.1426    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2443   -2.2956    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8665    0.5003    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6999   -2.3743    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3270   -2.9871    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9398   -2.3600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9478    2.8567    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3883   -0.3690    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2378   -0.1519    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0206    0.6976    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.0488    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7226    2.8326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  1  9  1  0  0  0  0
  2 13  1  0  0  0  0
  2 37  1  0  0  0  0
  3 18  1  0  0  0  0
  3 38  1  0  0  0  0
  4  5  1  0  0  0  0
  4  8  1  0  0  0  0
  4 21  1  0  0  0  0
  5  6  2  0  0  0  0
  5 10  1  0  0  0  0
  6  7  1  0  0  0  0
  6 11  1  0  0  0  0
  7  9  2  0  0  0  0
  7 14  1  0  0  0  0
  8 15  1  0  0  0  0
  8 22  1  0  0  0  0
  8 23  1  0  0  0  0
  9 12  1  0  0  0  0
 10 13  2  0  0  0  0
 10 17  1  0  0  0  0
 11 16  2  0  0  0  0
 11 24  1  0  0  0  0
 12 18  2  0  0  0  0
 12 20  1  0  0  0  0
 13 16  1  0  0  0  0
 14 19  2  0  0  0  0
 14 25  1  0  0  0  0
 15 26  1  0  0  0  0
 15 27  1  0  0  0  0
 15 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
 18 19  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

$$$$
D00JAT
  -OEChem-10101305032D

 49 53  0     1  0  0  0  0  0999 V2000
    2.5381   -1.2841    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5124    0.2309    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    6.0682   -1.2600    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.9343   -0.7600    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.9343    0.2400    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.8652   -0.8901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0522   -2.3015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8443   -1.2668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7815   -0.0945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2022   -0.7600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0682    0.7400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7203    1.2091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9771    1.8782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9502   -2.8293    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8523   -2.3084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2022    0.2400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6681    2.8293    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9990    2.0861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3083   -1.2947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3083    0.7747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4022   -0.7808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4022    0.2608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6704   -0.3350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3593    0.9761    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2704   -0.7149    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4568   -0.7048    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4431   -2.1860    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8342   -2.8819    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4559   -1.3682    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0488   -0.6816    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5899    0.4952    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1751   -0.2234    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4668    1.2150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6697    1.2150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2951    0.9768    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0488    1.7349    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4971    2.2159    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5493   -3.3022    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3475   -3.3052    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0659   -2.8905    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4623   -2.1976    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2156    3.1203    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2864    3.3178    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4732    2.4147    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7667    1.5113    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3154   -1.9146    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3154    1.3946    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8665    0.5729    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.9762    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 21  1  0  0  0  0
  1 49  1  0  0  0  0
  2  5  1  0  0  0  0
  2  9  1  0  0  0  0
  2 12  1  0  0  0  0
  3  4  1  0  0  0  0
  3  6  1  0  0  0  0
  3  7  1  1  0  0  0
  3 10  1  0  0  0  0
  4  5  1  0  0  0  0
  4  8  1  0  0  0  0
  4 23  1  1  0  0  0
  5 11  1  0  0  0  0
  5 24  1  1  0  0  0
  6  9  1  0  0  0  0
  6 25  1  0  0  0  0
  6 26  1  0  0  0  0
  7 14  1  0  0  0  0
  7 27  1  0  0  0  0
  7 28  1  0  0  0  0
  8 15  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 16  2  0  0  0  0
 10 19  1  0  0  0  0
 11 16  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 17  1  0  0  0  0
 13 18  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 20  1  0  0  0  0
 17 18  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
 19 21  2  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 22  1  0  0  0  0
 22 48  1  0  0  0  0
M  END

$$$$
D00JBC
  -OEChem-10101305022D

 30 31  0     0  0  0  0  0  0999 V2000
    6.3301    2.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.0000    0.0000 O   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
    6.3301   -1.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.1424    0.8047    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.1424   -0.8047    0.0000 N   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
    3.7320    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
    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
    7.1962   -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
    6.3301   -2.0000    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
    8.7260    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9966    1.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1996    1.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3335    0.0251    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1306    0.0251    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2646    1.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4675    1.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3350    1.3940    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7101   -2.0000    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
    6.9501   -2.0000    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
    1.4631    0.1900    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
    9.3460    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  2  0  0  0  0
  2 11  2  0  0  0  0
  3  7  1  0  0  0  0
  3 10  1  0  0  0  0
  3 11  1  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  9  1  0  0  0  0
  5 16  1  0  0  0  0
  5 23  1  0  0  0  0
  6 12  1  0  0  0  0
  6 16  2  0  0  0  0
  7  8  1  0  0  0  0
  7 17  1  0  0  0  0
  7 18  1  0  0  0  0
  8 13  1  0  0  0  0
  8 19  1  0  0  0  0
  8 20  1  0  0  0  0
  9 10  1  0  0  0  0
  9 12  2  0  0  0  0
 13 15  1  0  0  0  0
 13 21  1  0  0  0  0
 13 22  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 27  1  0  0  0  0
 15 28  1  0  0  0  0
 15 29  1  0  0  0  0
 16 30  1  0  0  0  0
M  END

$$$$
D00JEO
  -OEChem-04152110182D

481484  0     1  0  0  0  0  0999 V2000
   50.1122    7.9189    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   62.6552   14.5275    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   16.0223    0.3904    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.3416    3.3180    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.1167    0.4807    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.5419   -0.1096    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.1435   -3.5211    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3564  -11.8585    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4040  -13.2198    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5748  -10.7347    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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239478  1  0  0  0  0
M  END

$$$$
D00JFN
          06101100542D 1   1.00000     0.00000     0

 28 28  0     0  0            999 V2000
   -2.4847   -0.9458    0.0000 C   0  0  0  0  0  0           0  0  0
   -2.4859   -1.7690    0.0000 C   0  0  0  0  0  0           0  0  0
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 13 14  1  0     0  0
  6  7  1  0     0  0
 14 15  1  0     0  0
  3  4  2  0     0  0
 15 16  1  0     0  0
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 16 17  1  0     0  0
 17 18  2  0     0  0
  7  9  1  0     0  0
 17 19  1  0     0  0
  4  5  1  0     0  0
 19 20  1  0     0  0
  9 10  1  0     0  0
 20 21  1  0     0  0
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 17 22  1  0     0  0
  9 11  2  0     0  0
 22 23  1  0     0  0
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 23 24  1  0     0  0
 10 12  1  0     0  0
  3 25  1  0     0  0
  6  1  1  0     0  0
 25 26  1  0     0  0
 12 13  1  0     0  0
 26 27  1  0     0  0
  1  2  2  0     0  0
 26 28  1  0     0  0
M  END

$$$$
D00JHN
  -OEChem-10191522332D

 42 43  0     0  0  0  0  0  0999 V2000
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 11 15  2  0  0  0  0
 11 30  1  0  0  0  0
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 14 16  2  0  0  0  0
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 15 34  1  0  0  0  0
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 18 20  2  0  0  0  0
 18 35  1  0  0  0  0
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 21 39  1  0  0  0  0
 22 40  1  0  0  0  0
 22 41  1  0  0  0  0
 22 42  1  0  0  0  0
M  END

$$$$
D00JID
  -OEChem-10101305022D

121123  0     1  0  0  0  0  0999 V2000
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 46101  1  0  0  0  0
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 55 57  2  0  0  0  0
 55110  1  0  0  0  0
 56 57  1  0  0  0  0
 56111  1  0  0  0  0
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 58112  1  0  0  0  0
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 61 63  2  0  0  0  0
 61118  1  0  0  0  0
 62 63  1  0  0  0  0
 62119  1  0  0  0  0
M  END

$$$$
D00JIV
          04151101012D 1   1.00000     0.00000     0

 27 30  0     0  0            999 V2000
    0.6154    1.5272    0.0000 C   0  0  0  0  0  0           0  0  0
    0.0395    1.1148    0.0000 N   0  0  0  0  0  0           0  0  0
    0.2538    0.4396    0.0000 C   0  0  0  0  0  0           0  0  0
    0.9622    0.4347    0.0000 N   0  0  0  0  0  0           0  0  0
    1.1856    1.1069    0.0000 N   0  0  0  0  0  0           0  0  0
   -2.9332   -1.8626    0.0000 O   0  0  0  0  0  0           0  0  0
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   -1.7070   -1.8607    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.7096   -1.1536    0.0000 N   0  0  3  0  0  0           0  0  0
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   -2.9357   -1.1555    0.0000 C   0  0  0  0  0  0           0  0  0
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   -0.5099   -2.6332    0.0000 N   0  0  0  0  0  0           0  0  0
  2  3  2  0     0  0
 14 13  2  0     0  0
 13 15  1  0     0  0
 15 12  1  0     0  0
 16 12  2  0     0  0
  3  4  1  0     0  0
  4  5  1  0     0  0
 16 17  1  0     0  0
  5  1  2  0     0  0
  6 11  1  0     0  0
 18 19  2  0     0  0
  7  8  1  0     0  0
 19 20  1  0     0  0
  8  9  1  0     0  0
 20 21  2  0     0  0
  9 10  1  0     0  0
 21 22  1  0     0  0
 10 11  1  0     0  0
 22 23  2  0     0  0
 23 18  1  0     0  0
 14 18  1  0     0  0
  6  7  1  0     0  0
 19 24  1  0     0  0
  9 12  1  0     0  0
 21 25  1  0     0  0
  1  2  1  0     0  0
 25 26  3  0     0  0
 16 14  1  0     0  0
 17 27  3  0     0  0
 13  3  1  0     0  0
M  END

$$$$
D00JJO
  -OEChem-10101305022D

 46 48  0     0  0  0  0  0  0999 V2000
    7.1962   -0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    8.0622   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.4142    3.7500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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 24 44  1  0  0  0  0
 24 45  1  0  0  0  0
 24 46  1  0  0  0  0
M  END

$$$$
D00JJP
  -OEChem-04152122272D

 58 60  0     1  0  0  0  0  0999 V2000
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 20 24  1  0  0  0  0
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 25 51  1  0  0  0  0
 26 52  1  0  0  0  0
 28 30  2  0  0  0  0
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 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

$$$$
D00JKB
  -OEChem-04152111192D

 38 39  0     1  0  0  0  0  0999 V2000
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    5.7240   -1.3783    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 18 36  1  0  0  0  0
M  END

$$$$
D00JKJ
  -OEChem-02061504242D

 76 78  0     1  0  0  0  0  0999 V2000
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    8.2464    6.9784    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8499    7.6713    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5433    7.6624    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1522    6.9665    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0682    5.7914    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5537    5.5044    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3333    4.6557    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1820    4.4353    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6867    0.8495    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9038    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7533    0.2171    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6426    1.8430    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1314    1.1307    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8438    0.6195    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0682   10.1173    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6305    8.0187    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2998    8.5090    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8148    9.3272    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5492    8.9080    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1541    8.1252    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9369    7.7301    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5656    9.3378    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3062   10.1259    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6000   10.6348    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7703   10.6316    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  3  5  1  0  0  0  0
  3 16  1  0  0  0  0
  3 24  1  0  0  0  0
  3 25  1  0  0  0  0
  4 17  1  0  0  0  0
  4 26  1  0  0  0  0
  4 27  1  0  0  0  0
  4 28  1  0  0  0  0
  5  6  1  0  0  0  0
  5 10  1  0  0  0  0
  5 19  1  6  0  0  0
  6  8  1  0  0  0  0
  6 12  1  0  0  0  0
  6 31  1  1  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 32  1  1  0  0  0
  8 13  1  0  0  0  0
  8 33  1  6  0  0  0
  9 14  1  0  0  0  0
  9 15  1  0  0  0  0
  9 23  1  6  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 18  1  0  0  0  0
 12 38  1  0  0  0  0
 12 39  1  0  0  0  0
 13 22  1  0  0  0  0
 13 40  1  0  0  0  0
 13 41  1  0  0  0  0
 14 20  1  0  0  0  0
 14 22  2  0  0  0  0
 15 21  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 44  1  0  0  0  0
 16 45  1  0  0  0  0
 17 20  1  0  0  0  0
 17 21  1  0  0  0  0
 17 46  1  1  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
 19 51  1  0  0  0  0
 20 52  1  0  0  0  0
 20 53  1  0  0  0  0
 21 54  1  0  0  0  0
 21 55  1  0  0  0  0
 22 56  1  0  0  0  0
 23 57  1  0  0  0  0
 23 58  1  0  0  0  0
 23 59  1  0  0  0  0
 24 60  1  0  0  0  0
 24 61  1  0  0  0  0
 24 62  1  0  0  0  0
 25 63  1  0  0  0  0
 25 64  1  0  0  0  0
 25 65  1  0  0  0  0
 26 29  1  0  0  0  0
 26 67  1  0  0  0  0
 26 68  1  0  0  0  0
 27 30  1  0  0  0  0
 27 66  1  0  0  0  0
 27 69  1  0  0  0  0
 28 70  1  0  0  0  0
 28 71  1  0  0  0  0
 28 72  1  0  0  0  0
 29 30  1  0  0  0  0
 29 73  1  0  0  0  0
 29 74  1  0  0  0  0
 30 75  1  0  0  0  0
 30 76  1  0  0  0  0
M  CHG  4   1  -1   2  -1   3   1   4   1
M  END

$$$$
D00JMT
  -OEChem-10101305022D

 56 60  0     0  0  0  0  0  0999 V2000
    2.8660   -5.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4103    2.3047    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4103    0.6953    0.0000 N   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
    3.7320    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    3.5000    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
    2.0000    4.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    5.0000    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
    5.4641    2.0000    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
    2.0000   -4.0000    0.0000 C   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
    2.0000   -5.0000    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
    5.4641    1.0000    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
    2.8660   -0.5000    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
    3.7320   -2.0000    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   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9939    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    3.3800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4675    3.0250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2646    3.0250    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
    3.9441    5.5826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3894    4.1077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7880    3.4174    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2646    5.9750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4675    5.9750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7880    5.5826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3894    4.8923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    3.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7880   -3.4174    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3894   -4.1077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3426   -4.1077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9441   -3.4174    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3894   -4.8923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7880   -5.5826    0.0000 H   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
    6.6029    2.8940    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
    4.2690   -2.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291    0.8100    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   -0.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6139    1.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 19  1  0  0  0  0
  1 20  1  0  0  0  0
  2  9  1  0  0  0  0
  2 15  1  0  0  0  0
  2 41  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 15  2  0  0  0  0
  4 23  1  0  0  0  0
  5 16  1  0  0  0  0
  5 29  1  0  0  0  0
  5 50  1  0  0  0  0
  6 23  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 23  2  0  0  0  0
  8 22  1  0  0  0  0
  8 29  2  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
 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 31  1  0  0  0  0
 11 32  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 14  1  0  0  0  0
 13 35  1  0  0  0  0
 13 36  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
 16 22  2  0  0  0  0
 17 19  1  0  0  0  0
 17 44  1  0  0  0  0
 17 45  1  0  0  0  0
 18 20  1  0  0  0  0
 18 42  1  0  0  0  0
 18 43  1  0  0  0  0
 19 48  1  0  0  0  0
 19 49  1  0  0  0  0
 20 46  1  0  0  0  0
 20 47  1  0  0  0  0
 21 25  2  0  0  0  0
 21 26  1  0  0  0  0
 24 27  2  0  0  0  0
 24 28  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 54  1  0  0  0  0
 28 55  1  0  0  0  0
 29 56  1  0  0  0  0
M  END

$$$$
D00JPB
  -OEChem-10101305022D

 47 49  0     0  0  0  0  0  0999 V2000
    6.8671    1.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -1.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1972    0.2500    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
    2.5369    0.2500    0.0000 N   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
   12.9292    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
    9.4651    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7953   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651    1.2500    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
   14.6613    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7953   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991    1.7500    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
   15.5273   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6613   -1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5273   -1.2500    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
    5.1350    1.7500    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
    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
    3.4030   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6647   -0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.4617   -0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.3278    0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.5307    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
   11.1972    0.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0021    1.5600    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
   14.6613    0.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.2583   -1.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991    2.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -0.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.0643    0.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.6613   -2.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.0643   -1.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    2.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5380   -0.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.5600    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
    2.5369    0.8700    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 26  2  0  0  0  0
  3  6  1  0  0  0  0
  3  8  1  0  0  0  0
  3 33  1  0  0  0  0
  4 23  1  0  0  0  0
  4 25  2  0  0  0  0
  5 26  1  0  0  0  0
  5 46  1  0  0  0  0
  5 47  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 10  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 31  1  0  0  0  0
  8 32  1  0  0  0  0
  9 11  2  0  0  0  0
  9 12  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 34  1  0  0  0  0
 12 17  2  0  0  0  0
 12 35  1  0  0  0  0
 13 18  1  0  0  0  0
 13 36  1  0  0  0  0
 14 19  2  0  0  0  0
 14 37  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 16 38  1  0  0  0  0
 17 39  1  0  0  0  0
 18 20  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 42  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 43  1  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 26  1  0  0  0  0
M  END

$$$$
D00JPH
  -OEChem-10101305022D

 34 35  0     1  0  0  0  0  0999 V2000
    2.0000    0.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.5000    0.0000 C   0  0  1  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
    2.8660    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
    3.7320    2.5000    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
    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    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
    2.0000   -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
    2.0000   -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
    2.8660   -4.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8101    0.4174    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.2690   -0.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.6200    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
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    4.5981    4.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -2.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -2.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8660   -4.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  2  0  0  0  0
  2 10  2  0  0  0  0
  4  3  1  6  0  0  0
  3 10  1  0  0  0  0
  3 23  1  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  4 20  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  8  2  0  0  0  0
  6  9  1  0  0  0  0
  7 24  1  0  0  0  0
  8 12  1  0  0  0  0
  8 25  1  0  0  0  0
  9 13  2  0  0  0  0
  9 26  1  0  0  0  0
 10 11  1  0  0  0  0
 11 15  2  0  0  0  0
 11 16  1  0  0  0  0
 12 14  2  0  0  0  0
 12 27  1  0  0  0  0
 13 14  1  0  0  0  0
 13 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
 16 18  2  0  0  0  0
 16 31  1  0  0  0  0
 17 19  2  0  0  0  0
 17 32  1  0  0  0  0
 18 19  1  0  0  0  0
 18 33  1  0  0  0  0
 19 34  1  0  0  0  0
M  END

$$$$
D00JPV
  -OEChem-10101305022D

 26 28  0     0  0  0  0  0  0999 V2000
    4.6783    1.6038    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2619    0.7990    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783   -0.0057    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2619    0.7990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7619   -0.0670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.7990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.2010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2619   -0.9330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7619   -0.0670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7619   -1.7990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2619   -0.9330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7619   -1.7990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5719    1.3360    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    2.4190    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.8210    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    1.6090    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -0.0110    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6419   -0.9330    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0719    0.4699    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4519   -2.3360    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8819   -0.9330    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0719   -2.3360    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  6  1  0  0  0  0
  2  7  1  0  0  0  0
  2 17  1  0  0  0  0
  3  5  1  0  0  0  0
  3  6  2  0  0  0  0
  4  5  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  2  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
  8 18  1  0  0  0  0
  9 11  1  0  0  0  0
  9 19  1  0  0  0  0
 10 11  2  0  0  0  0
 10 20  1  0  0  0  0
 11 21  1  0  0  0  0
 12 14  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 16  2  0  0  0  0
 14 24  1  0  0  0  0
 15 16  1  0  0  0  0
 15 25  1  0  0  0  0
 16 26  1  0  0  0  0
M  END

$$$$
D00JTE
  -OEChem-10101305032D

 51 54  0     1  0  0  0  0  0999 V2000
    5.0981    0.3396    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3010    2.2585    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.0376    1.2759    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.7788    0.3100    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.3301   -0.5264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4347    0.4681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2437   -0.9332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8696    0.5171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6108   -0.4489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.0264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8010    3.1245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.5264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.0264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0981   -1.3925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.9736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0981   -1.3925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.5264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.2585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.4736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5981   -2.2585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.0264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0981   -3.1245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.9736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0981   -3.1245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5588   -0.5111    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2576    2.0969    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8102   -0.1888    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3324    1.0796    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8149    0.4492    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9060   -1.4532    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7044   -1.3480    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4609    0.3306    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0817    1.0997    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3987   -1.0315    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2021   -0.6353    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0656   -1.5014    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8626   -1.5014    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    7.4910    3.6615    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641    2.8145    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7881    0.8765    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    1.2836    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7881   -0.8555    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.1464    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8660    2.0936    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 41  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2 11  1  0  0  0  0
  3  6  1  0  0  0  0
  3  8  1  0  0  0  0
  3 26  1  1  0  0  0
  4  7  1  0  0  0  0
  4  9  1  0  0  0  0
  4 25  1  1  0  0  0
  5  6  1  0  0  0  0
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  5 10  1  0  0  0  0
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  6 28  1  0  0  0  0
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  8  9  1  0  0  0  0
  8 32  1  0  0  0  0
  8 33  1  0  0  0  0
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  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 38  1  0  0  0  0
 11 39  1  0  0  0  0
 11 40  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 13 15  2  0  0  0  0
 13 17  1  0  0  0  0
 14 16  2  0  0  0  0
 14 18  1  0  0  0  0
 15 19  1  0  0  0  0
 15 42  1  0  0  0  0
 16 20  1  0  0  0  0
 16 43  1  0  0  0  0
 17 21  2  0  0  0  0
 17 44  1  0  0  0  0
 18 22  2  0  0  0  0
 18 45  1  0  0  0  0
 19 23  2  0  0  0  0
 19 46  1  0  0  0  0
 20 24  2  0  0  0  0
 20 47  1  0  0  0  0
 21 23  1  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
 23 50  1  0  0  0  0
 24 51  1  0  0  0  0
M  END

$$$$
D00JUD
  -OEChem-10101305022D

 29 32  0     0  0  0  0  0  0999 V2000
    4.5124    1.9003    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9808    1.0151    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6610    0.4581    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0091    0.3671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3181    1.3181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0150    0.3696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6564   -0.1682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6782   -0.3761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9654    0.7829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7086    1.3153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2962    1.5260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3413   -0.9529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.6994    1.5471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.0213   -1.9003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0000    0.7835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.5152    2.1391    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1  5  1  0  0  0  0
  1 10  1  0  0  0  0
  2  9  1  0  0  0  0
  2 19  1  0  0  0  0
  3 19  2  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  4  8  1  0  0  0  0
  5 11  1  0  0  0  0
  6 10  1  0  0  0  0
  6 13  2  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 20  1  0  0  0  0
  9 11  2  0  0  0  0
 10 14  2  0  0  0  0
 11 21  1  0  0  0  0
 12 15  2  0  0  0  0
 12 16  1  0  0  0  0
 13 17  1  0  0  0  0
 13 22  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 24  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
 17 18  2  0  0  0  0
 17 28  1  0  0  0  0
 18 29  1  0  0  0  0
M  END

$$$$
D00JUO
  -OEChem-10191521562D

 44 47  0     1  0  0  0  0  0999 V2000
    2.0000   -4.1746    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.2134    2.5654    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.7000    1.1260    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.9230    2.4132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7320    0.8254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4921    2.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.3254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.3254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0000    0.8254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2353    2.7733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.1746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7320   -4.1746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4894    1.4395    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    5.1350   -3.9846    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -4.7946    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 24  1  0  0  0  0
  2 17  1  0  0  0  0
  2 22  1  0  0  0  0
  3 12  2  0  0  0  0
  4  7  1  0  0  0  0
  4 10  1  0  0  0  0
  4 12  1  0  0  0  0
  5 14  1  0  0  0  0
  5 18  2  0  0  0  0
  6 17  2  0  0  0  0
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  7  8  1  0  0  0  0
  7 11  1  0  0  0  0
  7 27  1  6  0  0  0
  8  9  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 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 13  1  0  0  0  0
 11 14  2  0  0  0  0
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 13 15  2  0  0  0  0
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 14 34  1  0  0  0  0
 15 18  1  0  0  0  0
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 16 36  1  0  0  0  0
 16 37  1  0  0  0  0
 16 38  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 20 24  1  0  0  0  0
 20 39  1  0  0  0  0
 21 25  2  0  0  0  0
 21 40  1  0  0  0  0
 22 23  2  0  0  0  0
 22 41  1  0  0  0  0
 23 42  1  0  0  0  0
 24 26  2  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

$$$$
D00JVC
          05030700252D 1   1.00000     0.00000     0

 23 25  0     0  0            999 V2000
   -0.7389    0.0834    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.7401   -0.6273    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.1253   -0.9819    0.0000 C   0  0  0  0  0  0           0  0  0
    0.4870   -0.6269    0.0000 C   0  0  0  0  0  0           0  0  0
    0.4841    0.0870    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.1271    0.4378    0.0000 C   0  0  0  0  0  0           0  0  0
    1.0964    0.4432    0.0000 C   0  0  0  0  0  0           0  0  0
    1.7110    0.0910    0.0000 O   0  0  0  0  0  0           0  0  0
    1.0941    1.1515    0.0000 O   0  0  0  0  0  0           0  0  0
    1.1015   -0.9792    0.0000 O   0  0  0  0  0  0           0  0  0
   -1.3523    0.4376    0.0000 N   0  0  0  0  0  0           0  0  0
    2.3233    0.4472    0.0000 C   0  0  0  0  0  0           0  0  0
    2.9344    0.0919    0.0000 C   0  0  0  0  0  0           0  0  0
    3.5462    0.4475    0.0000 C   0  0  0  0  0  0           0  0  0
    3.5443    1.1566    0.0000 C   0  0  0  0  0  0           0  0  0
    2.9254    1.5086    0.0000 C   0  0  0  0  0  0           0  0  0
    2.3161    1.1510    0.0000 C   0  0  0  0  0  0           0  0  0
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    5.0875    2.1833    0.0000 C   0  0  0  0  0  0           0  0  0
    4.3791    2.1833    0.0000 C   0  0  0  0  0  0           0  0  0
    4.7333    1.0932    0.0000 S   0  0  0  0  0  0           0  0  0
    5.3063    1.5096    0.0000 S   0  0  0  0  0  0           0  0  0
    5.5038    2.7563    0.0000 S   0  0  0  0  0  0           0  0  0
  1 11  1  0     0  0
  4  5  1  0     0  0
  8 12  1  0     0  0
  1  2  2  0     0  0
 12 13  2  0     0  0
  5  6  2  0     0  0
 13 14  1  0     0  0
  6  1  1  0     0  0
 14 15  2  0     0  0
 15 16  1  0     0  0
  5  7  1  0     0  0
 16 17  2  0     0  0
 17 12  1  0     0  0
  2  3  1  0     0  0
 15 18  1  0     0  0
 19 20  1  0     0  0
  7  8  1  0     0  0
  7  9  2  0     0  0
  3  4  2  0     0  0
 20 18  2  0     0  0
 18 21  1  0     0  0
 21 22  1  0     0  0
 22 19  1  0     0  0
  4 10  1  0     0  0
 19 23  2  0     0  0
M  END

$$$$
D00JWA
  -OEChem-10101305032D

 34 36  0     0  0  0  0  0  0999 V2000
    4.6551    2.0684    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -3.0194    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.0194    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -1.5194    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.4806    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.0194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.4806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.4806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.0194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.4806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -1.0194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.5194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.0194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.4806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2731    2.0684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9641    3.0194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9641    3.0194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.4806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.9806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1 10  1  0  0  0  0
  1 17  1  0  0  0  0
  2 20  2  0  0  0  0
  3  7  1  0  0  0  0
  3 11  2  0  0  0  0
  4 11  1  0  0  0  0
  4 20  1  0  0  0  0
  4 27  1  0  0  0  0
  5 18  2  0  0  0  0
  5 19  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  6  9  1  0  0  0  0
  7 10  1  0  0  0  0
  8 13  2  0  0  0  0
  8 14  1  0  0  0  0
  9 12  2  0  0  0  0
  9 22  1  0  0  0  0
 10 15  2  0  0  0  0
 11 12  1  0  0  0  0
 12 23  1  0  0  0  0
 13 18  1  0  0  0  0
 13 24  1  0  0  0  0
 14 19  2  0  0  0  0
 14 25  1  0  0  0  0
 15 16  1  0  0  0  0
 15 26  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
 18 30  1  0  0  0  0
 19 31  1  0  0  0  0
 20 21  1  0  0  0  0
 21 32  1  0  0  0  0
 21 33  1  0  0  0  0
 21 34  1  0  0  0  0
M  END

$$$$
D00JWB
  -OEChem-10191522422D

 40 42  0     0  0  0  0  0  0999 V2000
    4.4487   -1.5173    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0468    0.9827    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5827   -0.0173    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1808   -0.5173    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.9128   -0.5173    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.3109    1.0035    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5000    1.1851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.3191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4782    0.9772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6691   -0.4241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4487   -0.5173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3147   -0.0173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.7788   -0.0173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5109   -0.0173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5109    0.9827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.4048   -0.5520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.3109   -0.0381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.6448   -1.1373    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   11.3977   -1.1720    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3977    2.1373    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1 11  2  0  0  0  0
  2 13  2  0  0  0  0
  3  9  1  0  0  0  0
  3 10  1  0  0  0  0
  3 11  1  0  0  0  0
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  6 21  2  0  0  0  0
  6 22  1  0  0  0  0
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  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
 12 31  1  0  0  0  0
 12 32  1  0  0  0  0
 14 17  2  0  0  0  0
 14 18  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 19  1  0  0  0  0
 16 21  1  0  0  0  0
 17 35  1  0  0  0  0
 18 19  2  0  0  0  0
 18 36  1  0  0  0  0
 19 37  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 40  1  0  0  0  0
M  END

$$$$
D00JWR
  -OEChem-10101305022D

 30 31  0     0  0  0  0  0  0999 V2000
    6.9535    4.3080    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.5686    3.1865    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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  1 17  1  0  0  0  0
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  2 17  1  0  0  0  0
  3 12  2  0  0  0  0
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  4 23  1  0  0  0  0
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  5 29  1  0  0  0  0
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  6 18  1  0  0  0  0
  7  8  1  0  0  0  0
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  7 19  1  0  0  0  0
  7 20  1  0  0  0  0
  8 21  1  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
 10 13  1  0  0  0  0
 10 24  1  0  0  0  0
 11 14  2  0  0  0  0
 11 25  1  0  0  0  0
 13 15  2  0  0  0  0
 13 26  1  0  0  0  0
 14 15  1  0  0  0  0
 14 27  1  0  0  0  0
 15 28  1  0  0  0  0
 17 18  2  0  0  0  0
 18 30  1  0  0  0  0
M  END

$$$$
D00JXL
  -OEChem-10101305032D

 32 34  0     0  0  0  0  0  0999 V2000
    2.3660    0.1424    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.5526    1.9694    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0000   -2.8965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  3  7  1  0  0  0  0
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 10 14  2  0  0  0  0
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 13 17  2  0  0  0  0
 13 25  1  0  0  0  0
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 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
 20 32  1  0  0  0  0
M  END

$$$$
D00JXV
          03301101152D 1   1.00000     0.00000     0

 36 39  0     1  0            999 V2000
   10.9414   -7.6136    0.0000 F   0  0  0  0  0  0           0  0  0
   10.6379   -8.2542    0.0000 C   0  0  3  0  0  0           0  0  0
   11.3458   -8.2259    0.0000 F   0  0  0  0  0  0           0  0  0
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   10.0091   -7.9231    0.0000 C   0  0  0  0  0  0           0  0  0
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    9.3500   -6.8854    0.0000 C   0  0  0  0  0  0           0  0  0
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   10.6638   -8.9607    0.0000 F   0  0  0  0  0  0           0  0  0
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  3  2  1  0     0  0
  2  1  1  0     0  0
  4  5  1  0     0  0
  5  6  2  0     0  0
  6  7  1  0     0  0
  7  8  2  0     0  0
  8  9  1  0     0  0
  9 10  2  0     0  0
 10  5  1  0     0  0
  7  2  1  0     0  0
  2 11  1  0     0  0
 23 24  1  0     0  0
 24 25  1  0     0  0
 25 26  1  0     0  0
 16 17  1  0     0  0
 22 27  1  1     0  0
 13 14  1  0     0  0
 27 28  1  0     0  0
 29 30  1  0     0  0
 16 18  2  0     0  0
 12 13  1  0     0  0
 13 15  1  0     0  0
 30 14  1  0     0  0
 14 31  1  0     0  0
 31 21  1  0     0  0
 21 29  1  0     0  0
 17 32  1  0     0  0
 19 20  1  1     0  0
 21 20  1  0     0  0
 19 22  1  0     0  0
 17 35  1  0     0  0
 32 33  1  0     0  0
 33  4  1  0     0  0
  4 34  1  0     0  0
 34 35  1  0     0  0
 14 16  1  1     0  0
 19 26  1  0     0  0
 22 23  1  0     0  0
 21 36  1  6     0  0
M  END

$$$$
D00JYL
  -OEChem-10101305022D

210216  0     1  0  0  0  0  0999 V2000
    2.0000    4.2823    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   14.1244   -1.7177    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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   11.5263   -1.2177    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6751   -9.3158    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.9904   -0.2177    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.1244    3.2823    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603    4.2823    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603    1.2823    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   19.3205    1.2823    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   16.7224    4.7823    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603   -4.7177    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   11.8341   -8.0286    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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   12.7852   -7.7196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2583   -1.2177    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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   15.8564    1.2823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   16.7224    1.7823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.2583    4.7823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603    3.2823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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103200  1  0  0  0  0
104110  1  0  0  0  0
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108109  2  0  0  0  0
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109207  1  0  0  0  0
110208  1  0  0  0  0
110209  1  0  0  0  0
110210  1  0  0  0  0
M  END

$$$$
D00KCB
  -OEChem-04152109072D

 30 32  0     1  0  0  0  0  0999 V2000
    2.0000   -0.5052    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.5301    1.5189    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2902   -0.7598    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4423   -2.8289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1282    1.0189    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2622    2.5189    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5301   -0.4811    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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  9  6  1  1  0  0  0
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  7 15  1  0  0  0  0
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 10 12  1  0  0  0  0
 10 21  1  0  0  0  0
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 11 14  2  0  0  0  0
 11 16  1  0  0  0  0
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 14 18  1  0  0  0  0
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 18 20  2  0  0  0  0
 18 27  1  0  0  0  0
 19 20  1  0  0  0  0
 20 28  1  0  0  0  0
M  END

$$$$
D00KDF
  -OEChem-10191522412D

 45 52  0     1  0  0  0  0  0999 V2000
    7.7141    2.8707    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7888   -3.1081    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.0099    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    5.3258    0.4222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8258   -0.4438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0238    0.1634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2826    1.1293    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 21 27  1  0  0  0  0
 21 38  1  0  0  0  0
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 22 37  1  0  0  0  0
 25 29  1  0  0  0  0
 25 40  1  0  0  0  0
 26 30  1  0  0  0  0
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 27 29  2  0  0  0  0
 27 43  1  0  0  0  0
 28 30  2  0  0  0  0
 28 42  1  0  0  0  0
 29 44  1  0  0  0  0
 30 45  1  0  0  0  0
M  END

$$$$
D00KDZ
  -OEChem-10101305022D

 34 36  0     1  0  0  0  0  0999 V2000
    6.7619   -0.6970    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    4.6783    0.9737    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    6.2619    0.1690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.6690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.3310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.7619   -0.6970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.1690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0000    0.6690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.3819   -0.6970    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
  1 11  1  0  0  0  0
  2  3  1  0  0  0  0
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  3  7  2  0  0  0  0
  4 19  1  0  0  0  0
  4 20  1  0  0  0  0
  5  6  1  0  0  0  0
  5  9  2  0  0  0  0
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  6 10  2  0  0  0  0
  7 22  1  0  0  0  0
  8 14  2  0  0  0  0
  8 15  1  0  0  0  0
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  9 23  1  0  0  0  0
 10 13  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
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 12 13  2  0  0  0  0
 12 28  1  0  0  0  0
 13 29  1  0  0  0  0
 14 16  1  0  0  0  0
 14 30  1  0  0  0  0
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 15 31  1  0  0  0  0
 16 18  2  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
 18 34  1  0  0  0  0
M  END

$$$$
D00KEP
  -OEChem-10101305032D

 36 35  0     0  0  0  0  0  0999 V2000
    2.5369   -1.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 10 11  1  0  0  0  0
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 11 23  1  0  0  0  0
 11 24  1  0  0  0  0
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 13 25  1  0  0  0  0
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 15 30  1  0  0  0  0
 16 17  1  0  0  0  0
 16 31  1  0  0  0  0
 16 32  1  0  0  0  0
M  END

$$$$
D00KFF
  -OEChem-10101305032D

 39 39  0     0  0  0  0  0  0999 V2000
    8.0622    4.8170    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.6962    5.1830    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.6962    3.4510    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.1830    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    4.3170    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.1830    0.0000 N   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    1.3170    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    2.3170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.6830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1 15  1  0  0  0  0
  2 15  1  0  0  0  0
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 10 12  1  0  0  0  0
 10 28  1  0  0  0  0
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 14 15  1  0  0  0  0
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 17 35  1  0  0  0  0
 18 20  2  0  0  0  0
 18 36  1  0  0  0  0
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 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

$$$$
D00KGK
  -OEChem-10101305022D

 19 20  0     0  0  0  0  0  0999 V2000
    4.2690   -1.8100    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -0.8100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    1.1900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    1.1900    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -0.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0290   -0.8447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.4030   -0.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0000   -0.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  2 10  1  0  0  0  0
  2 19  1  0  0  0  0
  3 11  2  0  0  0  0
  4  6  1  0  0  0  0
  4 11  1  0  0  0  0
  4 14  1  0  0  0  0
  5  6  1  0  0  0  0
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  6  9  2  0  0  0  0
  7 10  2  0  0  0  0
  8 12  1  0  0  0  0
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 10 11  1  0  0  0  0
 12 13  2  0  0  0  0
 12 17  1  0  0  0  0
 13 18  1  0  0  0  0
M  END

$$$$
D00KIK
  -OEChem-10101305022D

 49 52  0     0  0  0  0  0  0999 V2000
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    5.2619   -0.8645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 21 22  2  0  0  0  0
 21 48  1  0  0  0  0
 22 49  1  0  0  0  0
M  END

$$$$
D00KIV
  -OEChem-04152109442D

 25 25  0     0  0  0  0  0  0999 V2000
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  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1 10  1  0  0  0  0
  2 24  1  0  0  0  0
  3 25  1  0  0  0  0
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  4 23  1  0  0  0  0
  5  6  1  0  0  0  0
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  5 14  1  0  0  0  0
  5 15  1  0  0  0  0
  6 10  1  0  0  0  0
  6 16  1  0  0  0  0
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  7  9  1  0  0  0  0
  8 11  1  0  0  0  0
  8 18  1  0  0  0  0
  9 12  2  0  0  0  0
  9 19  1  0  0  0  0
 11 13  2  0  0  0  0
 11 20  1  0  0  0  0
 12 13  1  0  0  0  0
 12 21  1  0  0  0  0
 13 22  1  0  0  0  0
M  END

$$$$
D00KJP
  -OEChem-10101305022D

 56 59  0     1  0  0  0  0  0999 V2000
   10.4899   -1.0970    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.0929    1.4828    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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   13.0880   -0.5970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.9819   -1.1316    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.8880   -0.6178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8880    0.4238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3328    1.2040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6200   -0.6245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7134   -1.9458    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   10.2439   -2.5970    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.2220   -1.7170    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   12.2220    1.5230    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1  4  2  0  0  0  0
  1  5  2  0  0  0  0
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  3 14  2  0  0  0  0
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 10 31  2  0  0  0  0
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 13 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
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 16 41  1  0  0  0  0
 16 42  1  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 22  2  0  0  0  0
 19 23  1  0  0  0  0
 19 43  1  0  0  0  0
 20 25  2  0  0  0  0
 20 44  1  0  0  0  0
 21 26  2  0  0  0  0
 21 45  1  0  0  0  0
 22 46  1  0  0  0  0
 23 24  2  0  0  0  0
 23 27  1  0  0  0  0
 24 25  1  0  0  0  0
 24 28  1  0  0  0  0
 25 47  1  0  0  0  0
 26 31  1  0  0  0  0
 27 29  2  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 30  1  0  0  0  0
 30 50  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
M  END

$$$$
D00KJV
  BIDD-NUS20110812001D

 16 16  0  0  0  0  0  0  0  0999 V2000
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   -3.7811  -10.1209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8150  -10.9452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.5462  -11.3271    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4781   -9.6795    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0145   -8.9116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7126   -8.4718    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6152   -9.7913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.2527  -11.4965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6846  -11.4478    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0 
  3  8  1  1  0  0  0 
  1  6  1  0  0  0  0 
  2  9  1  1  0  0  0 
  2  3  1  0  0  0  0 
  1 10  1  1  0  0  0 
  3  4  1  0  0  0  0 
 10 11  1  0  0  0  0 
  4  5  1  0  0  0  0 
  6 12  1  0  0  0  0 
  5  6  1  0  0  0  0 
 12 13  1  0  0  0  0 
 13 14  1  0  0  0  0 
  4  7  1  6  0  0  0 
 14 15  1  0  0  0  0 
  5 16  1  1  0  0  0 
M  ENDM  END

$$$$
D00KKN
  -OEChem-10101305022D

 46 48  0     1  0  0  0  0  0999 V2000
    9.7942    1.7500    0.0000 I   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
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  1 18  1  0  0  0  0
  2  6  1  0  0  0  0
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 10 31  1  0  0  0  0
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 16 37  1  0  0  0  0
 17 20  2  0  0  0  0
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 23 24  1  0  0  0  0
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 23 43  1  0  0  0  0
 24 44  1  0  0  0  0
 24 45  1  0  0  0  0
 24 46  1  0  0  0  0
M  END

$$$$
D00KMC
  -OEChem-10191521562D

 44 46  0     1  0  0  0  0  0999 V2000
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    3.7320   -0.6830    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
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   13.3385   -0.9877    0.0000 O   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
    3.7320    0.3170    0.0000 C   0  0  3  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
    6.3301    0.8170    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
    8.0622    0.8170    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
    8.9282    0.3170    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
    8.9282   -0.6830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603    0.3170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3923    0.3170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5263    0.8170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3923   -0.6830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603   -0.6830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5263   -1.1830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3385    0.6217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9221   -0.1830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9966    1.2919    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1996    1.2919    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
    5.0656   -0.1580    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8626   -0.1580    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7287    1.2919    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9316    1.2919    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    1.4370    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6592   -0.9930    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -1.8030    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651   -0.9930    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5263    1.4370    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1233   -0.9930    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5263   -1.8030    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.5311    1.2110    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.5421   -0.1830    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  1  5  2  0  0  0  0
  1 12  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
  2 12  1  0  0  0  0
  9 18  1  0  0  0  0
  9 21  1  0  0  0  0
 10 24  1  0  0  0  0
 10 28  1  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
 11 30  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 15  1  0  0  0  0
 14 34  1  0  0  0  0
 14 35  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
 16 36  1  0  0  0  0
 17 19  2  0  0  0  0
 17 37  1  0  0  0  0
 18 20  2  0  0  0  0
 19 20  1  0  0  0  0
 19 38  1  0  0  0  0
 20 39  1  0  0  0  0
 21 23  2  0  0  0  0
 21 25  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  2  0  0  0  0
 22 27  1  0  0  0  0
 23 40  1  0  0  0  0
 24 26  1  0  0  0  0
 25 26  2  0  0  0  0
 25 41  1  0  0  0  0
 26 42  1  0  0  0  0
 27 28  2  0  0  0  0
 27 43  1  0  0  0  0
 28 44  1  0  0  0  0
M  CHG  3   3  -1   6  -1   7  -1
M  END

$$$$
D00KMP
  -OEChem-10101305022D

 47 49  0     1  0  0  0  0  0999 V2000
    6.3301    0.1377    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    6.3301   -2.8623    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.3623    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.3301   -1.8623    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.4641   -0.3623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -1.3623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.8623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -0.3623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.3623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    1.1377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.8623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    1.6377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.6377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    2.6377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.3623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    2.6377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0901    1.1030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    3.1377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0901    3.1723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9962    1.6168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9962    2.6585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.9823    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -2.1723    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2520    0.2203    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8535   -0.4700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4082   -1.9449    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8067   -1.2547    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1996   -2.3373    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9966   -2.3373    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8067   -0.4700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4082    0.2203    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1306   -0.8874    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3335   -0.8874    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -3.1723    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7932   -3.1723    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4675   -2.3373    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2646   -2.3373    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9272    1.3277    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   -0.8254    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -1.0523    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -1.8993    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9272    2.9477    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0829    0.4830    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    3.7577    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0829    3.7923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5319    1.3048    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5319    2.9705    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1  8  1  0  0  0  0
  1 10  1  0  0  0  0
  2  4  1  0  0  0  0
  2 34  1  0  0  0  0
  2 35  1  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
  3 22  1  0  0  0  0
  4  6  1  0  0  0  0
  4 23  1  0  0  0  0
  5 24  1  0  0  0  0
  5 25  1  0  0  0  0
  6  8  1  0  0  0  0
  6 26  1  0  0  0  0
  6 27  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 11  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  2  0  0  0  0
 11 15  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 17  2  0  0  0  0
 13 16  1  0  0  0  0
 13 38  1  0  0  0  0
 14 18  1  0  0  0  0
 14 19  2  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 18  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
 18 44  1  0  0  0  0
 19 21  1  0  0  0  0
 19 45  1  0  0  0  0
 20 21  2  0  0  0  0
 20 46  1  0  0  0  0
 21 47  1  0  0  0  0
M  END

$$$$
D00KOE
  -OEChem-10101305022D

 23 23  0     1  0  0  0  0  0999 V2000
    4.0823   -1.4669    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8424   -1.1881    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5823    0.0720    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.9945    0.8810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5823    0.0720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2733   -0.8791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8913   -0.8791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.7765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4013    1.7945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9699   -0.0250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7424    0.3146    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1888    0.2009    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5175    0.6886    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7069   -0.6269    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9633   -1.4160    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9352    1.3931    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3834    0.7117    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0648    0.1599    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9677    1.5424    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6534    2.3609    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8349    2.0467    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9713   -1.7945    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3031   -0.7732    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  7  2  0  0  0  0
  2  7  1  0  0  0  0
  2 22  1  0  0  0  0
  2 23  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3  6  1  0  0  0  0
  3 10  1  0  0  0  0
  4  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 11  1  0  0  0  0
  5  7  1  0  0  0  0
  5 12  1  0  0  0  0
  5 13  1  0  0  0  0
  6 14  1  0  0  0  0
  6 15  1  0  0  0  0
  8 16  1  0  0  0  0
  8 17  1  0  0  0  0
  8 18  1  0  0  0  0
  9 19  1  0  0  0  0
  9 20  1  0  0  0  0
  9 21  1  0  0  0  0
M  END

$$$$
D00KPR
  -OEChem-10191521522D

 24 23  0     1  0  0  0  0  0999 V2000
    6.8671   -0.4330    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    0.0670    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -0.9330    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    0.0670    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -0.4330    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.2690    0.0670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9030    0.4330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9030   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -0.4330    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
    4.6675    0.5419    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8705    0.5419    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4280    0.8315    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4280    0.0345    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3660   -1.6090    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2130   -1.8360    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4399   -0.9890    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7365   -0.9080    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5335   -0.9080    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9399    0.9890    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7130    1.8360    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.6090    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.6230    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2700   -0.2430    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  4  1  0  0  0  0
  2 24  1  0  0  0  0
  3  5  1  0  0  0  0
  3 23  1  0  0  0  0
  4  9  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
  6  9  1  0  0  0  0
  6 11  1  0  0  0  0
  6 12  1  0  0  0  0
  7 10  1  0  0  0  0
  7 13  1  0  0  0  0
  7 14  1  0  0  0  0
  8 15  1  0  0  0  0
  8 16  1  0  0  0  0
  8 17  1  0  0  0  0
  9 18  1  0  0  0  0
  9 19  1  0  0  0  0
 10 20  1  0  0  0  0
 10 21  1  0  0  0  0
 10 22  1  0  0  0  0
M  END

$$$$
D00KQB
  -OEChem-10101305022D

 36 36  0     1  0  0  0  0  0999 V2000
    3.7320   -1.4050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    4.0950    0.0000 N   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
    4.5981    3.0950    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.7320    1.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.9050    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
    2.8660   -1.9050    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
    4.5981    1.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.4050    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    0.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 14 31  1  0  0  0  0
 15 34  1  0  0  0  0
 15 35  1  0  0  0  0
 15 36  1  0  0  0  0
M  END

$$$$
D00KRL
  -OEChem-10101305022D

 47 50  0     0  0  0  0  0  0999 V2000
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 27 45  1  0  0  0  0
 27 46  1  0  0  0  0
 27 47  1  0  0  0  0
M  END

$$$$
D00KRQ
  -OEChem-10101305022D

 38 40  0     0  0  0  0  0  0999 V2000
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    5.4641   -1.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 18 37  1  0  0  0  0
 19 38  1  0  0  0  0
M  END

$$$$
D00KSS
  -OEChem-10101305022D

 29 29  0     0  0  0  0  0  0999 V2000
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 15 28  1  0  0  0  0
 15 29  1  0  0  0  0
M  END

$$$$
D00KTE
  -OEChem-10101305022D

 43 43  0     1  0  0  0  0  0999 V2000
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    3.7320   -1.9291    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    4.0981    2.1098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7891    1.1587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.4291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3582    0.8497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.9291    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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   10.4897    2.2391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 12  5  1  1  0  0  0
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  7  8  1  0  0  0  0
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  7 21  1  0  0  0  0
  8  9  1  0  0  0  0
  8 22  1  0  0  0  0
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  9 25  1  0  0  0  0
 10 12  1  0  0  0  0
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 12 26  1  0  0  0  0
 13 16  1  0  0  0  0
 13 28  1  0  0  0  0
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 17 18  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
M  END

$$$$
D00KTT
  -OEChem-10101305022D

 35 37  0     0  0  0  0  0  0999 V2000
    4.6660   -2.4827    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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    3.8000    1.0173    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.6660    0.5173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 20 30  1  0  0  0  0
 20 31  1  0  0  0  0
 20 35  1  0  0  0  0
M  END

$$$$
D00KWL
  -OEChem-10101305022D

 64 67  0     0  0  0  0  0  0999 V2000
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 34 64  1  0  0  0  0
M  END

$$$$
D00KXZ
  -OEChem-10191521472D

 53 54  0     1  0  0  0  0  0999 V2000
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  1 23  1  0  0  0  0
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 16  6  1  1  0  0  0
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 18  7  1  6  0  0  0
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 11 32  1  0  0  0  0
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 17 43  1  0  0  0  0
 18 19  1  0  0  0  0
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 18 46  1  0  0  0  0
 19 21  2  0  0  0  0
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 20 48  1  0  0  0  0
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 21 23  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 25  2  0  0  0  0
 24 25  1  0  0  0  0
 24 53  1  0  0  0  0
M  END

$$$$
D00KZO
  -OEChem-10101305022D

 57 60  0     1  0  0  0  0  0999 V2000
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 28 54  1  0  0  0  0
 29 55  1  0  0  0  0
 29 56  1  0  0  0  0
 29 57  1  0  0  0  0
M  END

$$$$
D00LAR
  -OEChem-10101305022D

 68 71  0     1  0  0  0  0  0999 V2000
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   11.2639   -1.4817    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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 27 51  1  0  0  0  0
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 28 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
 29 57  1  0  0  0  0
 30 58  1  0  0  0  0
 30 59  1  0  0  0  0
 30 60  1  0  0  0  0
 31 35  1  0  0  0  0
 31 61  1  0  0  0  0
 32 62  1  0  0  0  0
 33 63  1  0  0  0  0
 33 64  1  0  0  0  0
 33 65  1  0  0  0  0
 35 37  2  0  0  0  0
 35 66  1  0  0  0  0
 36 37  1  0  0  0  0
 36 67  1  0  0  0  0
 37 68  1  0  0  0  0
M  END

$$$$
D00LBX
  -OEChem-10111523442D

 44 49  0     1  0  0  0  0  0999 V2000
    5.4110    0.2615    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1603   -1.5426    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1603   -3.1521    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5786    2.9664    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.6528    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 20 22  2  0  0  0  0
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 26 42  1  0  0  0  0
 27 43  1  0  0  0  0
 27 44  1  0  0  0  0
M  END

$$$$
D00LCE
  -OEChem-04152108372D

 30 30  0     1  0  0  0  0  0999 V2000
    4.5981    4.1550    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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 11 14  2  0  0  0  0
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 15 27  1  0  0  0  0
 16 28  1  0  0  0  0
 17 29  1  0  0  0  0
M  END

$$$$
D00LEQ
  -OEChem-10101305032D

 37 37  0     1  0  0  0  0  0999 V2000
    7.7331    3.8100    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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 10 22  1  0  0  0  0
 10 37  1  0  0  0  0
 11 22  2  0  0  0  0
 14 12  1  6  0  0  0
 12 21  1  0  0  0  0
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 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 13 24  1  0  0  0  0
 14 16  1  0  0  0  0
 14 25  1  0  0  0  0
 15 17  1  0  0  0  0
 15 26  1  0  0  0  0
 16 18  1  0  0  0  0
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 17 20  1  0  0  0  0
 17 28  1  0  0  0  0
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 18 30  1  0  0  0  0
 19 22  1  0  0  0  0
 20 31  1  0  0  0  0
 20 32  1  0  0  0  0
 21 23  1  0  0  0  0
M  END

$$$$
D00LFX
  -OEChem-10101305022D

 49 52  0     1  0  0  0  0  0999 V2000
   10.1642    1.7906    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    9.1857    1.5844    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.5357   -2.7232    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1427    1.9968    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    7.0628   -1.1709    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    5.2868   -1.1778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.4037   -2.2266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.8022   -1.5902    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   11.3353    2.5861    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5568    1.5353    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.4112    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  2  0  0  0  0
  1  6  1  0  0  0  0
 11  2  1  1  0  0  0
  5 24  1  0  0  0  0
  5 49  1  0  0  0  0
  6 47  1  0  0  0  0
  6 48  1  0  0  0  0
  7  8  1  0  0  0  0
  7 11  1  0  0  0  0
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  7 17  1  1  0  0  0
  8  9  1  0  0  0  0
  8 13  1  0  0  0  0
  8 25  1  6  0  0  0
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 10 14  1  0  0  0  0
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 13 15  1  0  0  0  0
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 13 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
 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
 17 40  1  0  0  0  0
 17 41  1  0  0  0  0
 18 20  2  0  0  0  0
 18 21  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
 21 23  2  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
M  END

$$$$
D00LHS
  -OEChem-10101305022D

 76 79  0     0  0  0  0  0  0999 V2000
    4.8356    3.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.8356    3.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
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 29 37  1  0  0  0  0
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 30 38  1  0  0  0  0
 30 67  1  0  0  0  0
 31 33  2  0  0  0  0
 31 34  1  0  0  0  0
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 35 39  2  0  0  0  0
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 36 40  2  0  0  0  0
 37 38  2  0  0  0  0
 37 71  1  0  0  0  0
 38 72  1  0  0  0  0
 39 40  1  0  0  0  0
M  END

$$$$
D00LLO
  -OEChem-10101305022D

 83 86  0     1  0  0  0  0  0999 V2000
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    4.8672   -6.4821    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   10.3312   -0.0179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 41 42  1  0  0  0  0
 41 82  1  0  0  0  0
 42 83  1  0  0  0  0
M  END

$$$$
D00LMG
  -OEChem-10101305032D

 31 33  0     0  0  0  0  0  0999 V2000
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 10 13  1  0  0  0  0
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 19 26  1  0  0  0  0
 20 21  1  0  0  0  0
 20 27  1  0  0  0  0
M  END

$$$$
D00LMT
  -OEChem-10101305022D

 48 50  0     0  0  0  0  0  0999 V2000
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 10 12  1  0  0  0  0
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 10 35  1  0  0  0  0
 11 12  1  0  0  0  0
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 13 14  1  0  0  0  0
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 14 15  2  0  0  0  0
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 15 17  1  0  0  0  0
 15 42  1  0  0  0  0
 16 18  2  0  0  0  0
 16 43  1  0  0  0  0
 17 19  2  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 20  1  0  0  0  0
 20 46  1  0  0  0  0
 20 47  1  0  0  0  0
 20 48  1  0  0  0  0
M  END

$$$$
D00LMY
          03251000412D 1   1.00000     0.00000     0

 35 38  0     0  0            999 V2000
    2.2833   -7.0500    0.0000 O   0  0  0  0  0  0           0  0  0
    2.9000   -6.7000    0.0000 S   0  0  3  0  0  0           0  0  0
    2.2886   -6.3410    0.0000 O   0  0  0  0  0  0           0  0  0
    6.2913   -5.5142    0.0000 N   0  0  3  0  0  0           0  0  0
    5.7178   -5.9343    0.0000 C   0  0  0  0  0  0           0  0  0
    5.1445   -5.5142    0.0000 C   0  0  0  0  0  0           0  0  0
    9.5671   -7.6021    0.0000 C   0  0  0  0  0  0           0  0  0
    9.9365   -6.9920    0.0000 C   0  0  3  0  0  0           0  0  0
   10.2760   -7.6159    0.0000 C   0  0  0  0  0  0           0  0  0
    7.5178   -5.5363    0.0000 C   0  0  1  0  0  0           0  0  0
    6.8982   -5.8795    0.0000 C   0  0  2  0  0  0           0  0  0
    6.8850   -6.5865    0.0000 C   0  0  0  0  0  0           0  0  0
    7.4914   -6.9502    0.0000 C   0  0  0  0  0  0           0  0  0
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    7.5300   -4.8280    0.0000 C   0  0  0  0  0  0           0  0  0
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   10.5572   -6.6481    0.0000 C   0  0  0  0  0  0           0  0  0
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    3.2566   -7.3120    0.0000 C   0  0  0  0  0  0           0  0  0
  3  2  2  0     0  0
 17 18  1  0     0  0
 10 11  1  0     0  0
 17 19  2  0     0  0
 18  8  1  0     0  0
 22  4  1  0     0  0
  8 20  1  0     0  0
  4  5  1  0     0  0
  5  6  2  0     0  0
 21 22  2  0     0  0
  6 21  1  0     0  0
 22 23  1  0     0  0
  8  7  1  0     0  0
 23 24  2  0     0  0
  9  8  1  0     0  0
 24 25  1  0     0  0
 10 15  1  0     0  0
 25 26  2  0     0  0
 26 21  1  0     0  0
 11 12  1  0     0  0
 26 27  1  0     0  0
 12 13  1  0     0  0
 27 28  1  0     0  0
 13 14  1  0     0  0
 28 29  2  0     0  0
 14 15  1  0     0  0
 29 30  1  0     0  0
 30 31  2  0     0  0
 10 16  1  6     0  0
 31 32  1  0     0  0
 11  4  1  6     0  0
 32 33  2  0     0  0
 33 28  1  0     0  0
  2  1  2  0     0  0
 29 34  1  0     0  0
 31  2  1  0     0  0
 14 17  1  0     0  0
  2 35  1  0     0  0
M  END

$$$$
D00LNK
  -OEChem-10191522332D

 46 47  0     1  0  0  0  0  0999 V2000
    8.5991    4.2500    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    9.5991    3.2500    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.5991    3.2500    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991   -0.7500    0.0000 O   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
    3.4030    0.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -0.7500    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    6.8671   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331   -1.2500    0.0000 C   0  0  2  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   -2.2500    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    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.4030   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.0021    0.4400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   10.0021    2.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    2.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.9400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 26  1  0  0  0  0
  2 26  1  0  0  0  0
  3 26  1  0  0  0  0
  9  4  1  1  0  0  0
  4 16  1  0  0  0  0
  5 22  1  0  0  0  0
  5 46  1  0  0  0  0
  6 22  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  9  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
 10 30  1  0  0  0  0
 10 31  1  0  0  0  0
 11 14  2  0  0  0  0
 11 15  1  0  0  0  0
 12 22  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
 13 36  1  0  0  0  0
 14 17  1  0  0  0  0
 14 37  1  0  0  0  0
 15 18  2  0  0  0  0
 15 38  1  0  0  0  0
 16 19  2  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 21  1  0  0  0  0
 18 40  1  0  0  0  0
 19 24  1  0  0  0  0
 19 41  1  0  0  0  0
 20 25  2  0  0  0  0
 20 42  1  0  0  0  0
 21 43  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
 23 26  1  0  0  0  0
 24 44  1  0  0  0  0
 25 45  1  0  0  0  0
M  END

$$$$
D00LOL
  -OEChem-10191521562D

 34 36  0     0  0  0  0  0  0999 V2000
    2.0000    1.1150    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.1150    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6456    0.7082    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8147    2.3174    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0934    2.7786    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.8916    2.0513    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  1  8  2  0  0  0  0
  2  3  1  0  0  0  0
  2  8  1  0  0  0  0
  2 10  1  0  0  0  0
  3  9  2  0  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  5 10  1  0  0  0  0
  5 31  1  0  0  0  0
  5 32  1  0  0  0  0
  6 19  1  0  0  0  0
  6 21  2  0  0  0  0
  7  8  1  0  0  0  0
  7 12  2  0  0  0  0
  7 13  1  0  0  0  0
  9 14  1  0  0  0  0
 11 15  2  0  0  0  0
 11 16  1  0  0  0  0
 11 17  1  0  0  0  0
 12 15  1  0  0  0  0
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 13 16  2  0  0  0  0
 13 23  1  0  0  0  0
 14 18  1  0  0  0  0
 14 19  2  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
 17 27  1  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 30  1  0  0  0  0
 20 21  1  0  0  0  0
 20 33  1  0  0  0  0
 21 34  1  0  0  0  0
M  END

$$$$
D00LPZ
          03280900062D 1   1.00000     0.00000     0

 22 24  0     0  0            999 V2000
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    4.0267   -1.7818    0.0000 C   0  0  0  0  0  0           0  0  0
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    0.6461    0.3107    0.0000 C   0  0  0  0  0  0           0  0  0
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    1.0438   -1.4330    0.0000 C   0  0  0  0  0  0           0  0  0
  5  6  1  0     0  0
 11 12  2  0     0  0
  9 10  2  0     0  0
 12 13  1  0     0  0
  1  2  1  0     0  0
 13 14  2  0     0  0
  1  8  2  0     0  0
 14 15  1  0     0  0
  3  4  1  0     0  0
 15 16  2  0     0  0
 16 11  1  0     0  0
 14  9  1  0     0  0
  4  5  2  0     0  0
 17 18  2  0     0  0
  7  1  1  0     0  0
 18 19  1  0     0  0
  8  9  1  0     0  0
 19 20  2  0     0  0
 10  7  1  0     0  0
 20 21  1  0     0  0
  2  3  1  0     0  0
 21 22  2  0     0  0
 22 17  1  0     0  0
 21 10  1  0     0  0
M  END

$$$$
D00LRC
  -OEChem-10101305022D

 38 40  0     0  0  0  0  0  0999 V2000
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  2 17  1  0  0  0  0
  2 19  1  0  0  0  0
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  3 13  2  0  0  0  0
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  4  6  1  0  0  0  0
  4  9  1  0  0  0  0
  4 20  1  0  0  0  0
  5  7  1  0  0  0  0
  5 21  1  0  0  0  0
  5 22  1  0  0  0  0
  6  8  1  0  0  0  0
  6 23  1  0  0  0  0
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  7  8  1  0  0  0  0
  7 25  1  0  0  0  0
  7 26  1  0  0  0  0
  8 27  1  0  0  0  0
  8 28  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  2  0  0  0  0
 10 12  2  0  0  0  0
 10 29  1  0  0  0  0
 11 30  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 13 15  1  0  0  0  0
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 14 31  1  0  0  0  0
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 15 32  1  0  0  0  0
 16 17  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
 19 36  1  0  0  0  0
 19 37  1  0  0  0  0
 19 38  1  0  0  0  0
M  END

$$$$
D00LSZ
  -OEChem-10101305022D

 45 46  0     1  0  0  0  0  0999 V2000
   10.3312   -1.3623    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   10.3312   -0.3623    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
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  1  8  1  0  0  0  0
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  3  4  1  0  0  0  0
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 21 22  2  0  0  0  0
 21 42  1  0  0  0  0
 22 43  1  0  0  0  0
M  END

$$$$
D00LVW
  -OEChem-10101305022D

157161  0     1  0  0  0  0  0999 V2000
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M  END

$$$$
D00LWG
  -OEChem-10101305032D

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M  END

$$$$
D00LWQ
  -OEChem-10101305032D

 33 34  0     0  0  0  0  0  0999 V2000
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M  END

$$$$
D00LXH
  -OEChem-10101305022D

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 12 24  1  0  0  0  0
 13 14  1  0  0  0  0
 13 27  1  0  0  0  0
M  END

$$$$
D00LYI
  -OEChem-04152109522D

 52 55  0     1  0  0  0  0  0999 V2000
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 29 30  1  0  0  0  0
 29 50  1  0  0  0  0
 30 51  1  0  0  0  0
M  END

$$$$
D00LZJ
  -OEChem-10101305022D

 59 60  0     1  0  0  0  0  0999 V2000
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 23 58  1  0  0  0  0
 23 59  1  0  0  0  0
M  END

$$$$
D00LZS
  -OEChem-10101305022D

106108  0     1  0  0  0  0  0999 V2000
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    6.3301   -2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.4641   -4.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942    5.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.5981   -5.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942    6.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.5981   -6.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5263    5.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    8.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    8.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5263    6.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    8.5000    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
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    3.7320   -8.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -8.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    8.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8660   -8.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.1928    0.0251    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1972    1.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   11.2163   -0.0369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.0632    0.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2803    2.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603    2.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   11.8363    1.0369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5252    2.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    6.9501    0.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    1.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    9.1403    3.4174    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5388    4.1077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -3.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2520   -3.4174    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    7.7331   -3.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    5.7932    5.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -5.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2573    6.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603    4.3800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9272    6.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    6.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603    7.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.0632    5.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    8.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.0632    6.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    9.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951   -6.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.5981   -9.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1 32  1  0  0  0  0
  1 37  1  0  0  0  0
  2 24  2  0  0  0  0
  3 25  2  0  0  0  0
 31  4  1  1  0  0  0
  4 86  1  0  0  0  0
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 10 57  1  0  0  0  0
 10106  1  0  0  0  0
 11 57  2  0  0  0  0
 19 12  1  6  0  0  0
 12 24  1  0  0  0  0
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 13 25  1  0  0  0  0
 26 13  1  6  0  0  0
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 22 14  1  1  0  0  0
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 34 15  1  1  0  0  0
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 19 25  1  0  0  0  0
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 20 21  1  0  0  0  0
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 20 60  1  0  0  0  0
 21 27  1  0  0  0  0
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 21 61  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
 22 62  1  0  0  0  0
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 26 31  1  0  0  0  0
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 28 68  1  0  0  0  0
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 28 70  1  0  0  0  0
 29 77  1  0  0  0  0
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 30 74  1  0  0  0  0
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 30 76  1  0  0  0  0
 31 35  1  0  0  0  0
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 33 34  1  0  0  0  0
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 36 84  1  0  0  0  0
 36 85  1  0  0  0  0
 37 40  2  0  0  0  0
 37 41  1  0  0  0  0
 38 42  1  0  0  0  0
 38 43  2  0  0  0  0
 39 44  1  0  0  0  0
 40 45  1  0  0  0  0
 40 91  1  0  0  0  0
 41 46  2  0  0  0  0
 41 92  1  0  0  0  0
 42 47  2  0  0  0  0
 42 93  1  0  0  0  0
 43 48  1  0  0  0  0
 43 94  1  0  0  0  0
 44 51  2  0  0  0  0
 44 52  1  0  0  0  0
 45 49  2  0  0  0  0
 45 95  1  0  0  0  0
 46 49  1  0  0  0  0
 46 96  1  0  0  0  0
 47 50  1  0  0  0  0
 47 55  1  0  0  0  0
 48 50  2  0  0  0  0
 48 97  1  0  0  0  0
 49 98  1  0  0  0  0
 50 99  1  0  0  0  0
 51 53  1  0  0  0  0
 51100  1  0  0  0  0
 52 54  2  0  0  0  0
 52101  1  0  0  0  0
 53 56  2  0  0  0  0
 53 57  1  0  0  0  0
 54 56  1  0  0  0  0
 56102  1  0  0  0  0
M  END

$$$$
D00MBG
  -OEChem-10191521442D

 28 28  0     0  0  0  0  0  0999 V2000
    3.7320    1.2500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.7320    1.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7320    1.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.3301   -1.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    5.4641   -1.7500    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    3.7320    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.2500    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
    2.8660   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7320   -1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.6900   -0.2869    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9081    2.2131    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7320   -2.3700    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  8  1  0  0  0  0
  4  7  1  0  0  0  0
  5  7  2  0  0  0  0
  6 14  1  0  0  0  0
  6 15  1  0  0  0  0
  7 12  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 13  1  0  0  0  0
 10 12  2  0  0  0  0
 10 17  1  0  0  0  0
 11 16  2  0  0  0  0
 11 18  1  0  0  0  0
 12 16  1  0  0  0  0
 13 19  1  0  0  0  0
 13 20  1  0  0  0  0
 13 21  1  0  0  0  0
 14 22  1  0  0  0  0
 14 23  1  0  0  0  0
 14 24  1  0  0  0  0
 15 25  1  0  0  0  0
 15 26  1  0  0  0  0
 15 27  1  0  0  0  0
 16 28  1  0  0  0  0
M  CHG  2   4  -1   7   1
M  END

$$$$
D00MCG
  -OEChem-10101305022D

 38 41  0     0  0  0  0  0  0999 V2000
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    8.1424    2.8577    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8660   -1.9470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.9470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.9470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.4470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.0530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.5530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.0530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    1.5530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    2.5530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    1.0530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.5530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.0530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.3301    3.0530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 20 35  1  0  0  0  0
 21 22  2  0  0  0  0
 21 36  1  0  0  0  0
 22 38  1  0  0  0  0
M  END

$$$$
D00MCJ
  -OEChem-10101305032D

 33 36  0     0  0  0  0  0  0999 V2000
    3.6143   -1.7106    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 10 13  1  0  0  0  0
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 20 21  2  0  0  0  0
 20 32  1  0  0  0  0
 21 33  1  0  0  0  0
M  END

$$$$
D00MCY
  -OEChem-10101305022D

 71 73  0     0  0  0  0  0  0999 V2000
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 37 68  1  0  0  0  0
 37 69  1  0  0  0  0
 37 70  1  0  0  0  0
M  END

$$$$
D00MEM
  -OEChem-04152109422D

 75 79  0     1  0  0  0  0  0999 V2000
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 39 73  1  0  0  0  0
 40 41  2  0  0  0  0
 40 74  1  0  0  0  0
 41 75  1  0  0  0  0
M  END

$$$$
D00MFA
  -OEChem-04152109352D

 39 39  0     1  0  0  0  0  0999 V2000
    5.4641   -0.8100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.1900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.3100    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
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 10  7  1  1  0  0  0
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 10 12  1  0  0  0  0
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 18 20  1  0  0  0  0
 18 34  1  0  0  0  0
 20 35  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
M  END

$$$$
D00MFR
  -OEChem-10101305022D

 32 34  0     0  0  0  0  0  0999 V2000
    2.9789   -1.7403    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    8.3780   -0.0039    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
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  2  4  1  0  0  0  0
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 10 14  2  0  0  0  0
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 11 21  1  0  0  0  0
 12 15  2  0  0  0  0
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 13 23  1  0  0  0  0
 13 24  1  0  0  0  0
 13 25  1  0  0  0  0
 14 15  1  0  0  0  0
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 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  CHG  1   3   1
M  END

$$$$
D00MFV
  -OEChem-10101305022D

 27 28  0     1  0  0  0  0  0999 V2000
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  1  6  1  0  0  0  0
  1  8  1  0  0  0  0
  1 10  1  0  0  0  0
  2 10  2  0  0  0  0
  2 11  1  0  0  0  0
  3  8  2  0  0  0  0
  3 14  1  0  0  0  0
  4 13  1  0  0  0  0
  4 14  2  0  0  0  0
  5 13  1  0  0  0  0
  5 26  1  0  0  0  0
  5 27  1  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
  7 12  1  0  0  0  0
  7 16  1  0  0  0  0
  7 17  1  0  0  0  0
  8 11  1  0  0  0  0
  9 18  1  0  0  0  0
  9 19  1  0  0  0  0
  9 20  1  0  0  0  0
 10 21  1  0  0  0  0
 11 13  2  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
 14 25  1  0  0  0  0
M  END

$$$$
D00MFZ
  -OEChem-10101305022D

 23 23  0     1  0  0  0  0  0999 V2000
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    2.0000   -0.3450    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4040   -0.4650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  6  1  1  6  0  0  0
  1 21  1  0  0  0  0
  7  2  1  1  0  0  0
  2 22  1  0  0  0  0
  3 10  1  0  0  0  0
  3 23  1  0  0  0  0
  4  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 18  1  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  5 10  1  1  0  0  0
  5 11  1  0  0  0  0
  6  7  1  0  0  0  0
  6 12  1  0  0  0  0
  7  9  1  0  0  0  0
  7 13  1  0  0  0  0
  8 14  1  0  0  0  0
  8 15  1  0  0  0  0
  9 16  1  0  0  0  0
  9 17  1  0  0  0  0
 10 19  1  0  0  0  0
 10 20  1  0  0  0  0
M  END

$$$$
D00MGT
  -OEChem-10191522432D

 66 70  0     1  0  0  0  0  0999 V2000
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    5.5255   -1.8039    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    7.5411    0.6506    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  7 28  1  0  0  0  0
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  9 35  1  1  0  0  0
 10 15  1  0  0  0  0
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 11 12  1  0  0  0  0
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 23 24  1  0  0  0  0
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 26 27  1  0  0  0  0
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 27 59  1  0  0  0  0
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 29 60  1  0  0  0  0
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 31 33  2  0  0  0  0
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 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
M  CHG  2   3  -1   8   1
M  END

$$$$
D00MIG
  -OEChem-04152111012D

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  8  2  1  6  0  0  0
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 15 20  1  0  0  0  0
 16 31  1  0  0  0  0
 16 32  1  0  0  0  0
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 19 21  2  0  0  0  0
 19 39  1  0  0  0  0
 20 22  2  0  0  0  0
 20 41  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  1  0  0  0  0
 22 42  1  0  0  0  0
M  END

$$$$
D00MJG
  -OEChem-10191521512D

 80 82  0     1  0  0  0  0  0999 V2000
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 30 35  1  0  0  0  0
 30 65  1  0  0  0  0
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 31 34  2  0  0  0  0
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 33 38  2  0  0  0  0
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 34 36  1  0  0  0  0
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 35 72  1  0  0  0  0
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 39 76  1  0  0  0  0
 40 77  1  0  0  0  0
 40 78  1  0  0  0  0
 40 79  1  0  0  0  0
M  END

$$$$
D00MLE
  -OEChem-10101305022D

 38 41  0     0  0  0  0  0  0999 V2000
   10.6648    0.4890    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0812   -0.3157    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  1 15  1  0  0  0  0
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 22 37  1  0  0  0  0
 23 38  1  0  0  0  0
M  END

$$$$
D00MLN
  -OEChem-04152110292D

 85 91  0     1  0  0  0  0  0999 V2000
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    4.5989    1.4521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 38 40  1  0  0  0  0
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 45 84  1  0  0  0  0
 45 85  1  0  0  0  0
M  END

$$$$
D00MNE
  -OEChem-10101305022D

 57 59  0     1  0  0  0  0  0999 V2000
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 29 51  1  0  0  0  0
 29 52  1  0  0  0  0
 29 56  1  0  0  0  0
M  END

$$$$
D00MPA
  -OEChem-10101305032D

 22 24  0     0  0  0  0  0  0999 V2000
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  3  8  1  0  0  0  0
  3 13  2  0  0  0  0
  4  9  1  0  0  0  0
  4 11  2  0  0  0  0
  5  9  2  0  0  0  0
  5 13  1  0  0  0  0
  6 13  1  0  0  0  0
  6 21  1  0  0  0  0
  6 22  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  8 10  1  0  0  0  0
 10 12  2  0  0  0  0
 11 17  1  0  0  0  0
 12 14  1  0  0  0  0
 12 18  1  0  0  0  0
 14 15  2  0  0  0  0
 14 19  1  0  0  0  0
 15 20  1  0  0  0  0
M  END

$$$$
D00MPM
  BIDD-NUS20110812001D

 23 24  0  0  0  0  0  0  0  0999 V2000
    9.4486   -6.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4474   -7.4773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1622   -7.8902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8787   -7.4769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8758   -6.6463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1604   -6.2372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5938   -7.8882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3076   -7.4746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0227   -7.8860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7365   -7.4724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4504   -7.8851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1637   -7.4722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.7323   -6.6504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   15.1509   -4.9940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   15.8590   -3.7528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4301   -3.7601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8761   -6.2317    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5887   -6.2311    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7340   -6.2376    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  5  6  2  0  0  0  0 
 11 12  1  0  0  0  0 
  6  1  1  0  0  0  0 
 12 13  2  0  0  0  0 
  1  2  2  0  0  0  0 
 13 14  1  0  0  0  0 
  4  7  1  0  0  0  0 
 14 15  2  0  0  0  0 
 15 10  1  0  0  0  0 
  3  4  2  0  0  0  0 
 14 16  1  0  0  0  0 
  7  8  1  0  0  0  0 
 16 17  1  0  0  0  0 
 17 18  2  0  0  0  0 
  8  9  1  0  0  0  0 
 18 19  1  0  0  0  0 
  4  5  1  0  0  0  0 
 18 20  1  0  0  0  0 
  9 10  1  0  0  0  0 
 13 21  1  0  0  0  0 
  2  3  1  0  0  0  0 
  5 22  1  0  0  0  0 
 10 11  2  0  0  0  0 
  1 23  1  0  0  0  0 
M  ENDM  END

$$$$
D00MRH
          06300900072D 1   1.00000     0.00000     0

 28 30  0     0  0            999 V2000
    3.6777   -4.0041    0.0000 C   0  0  0  0  0  0           0  0  0
    3.6766   -4.7148    0.0000 C   0  0  0  0  0  0           0  0  0
    4.2914   -5.0694    0.0000 C   0  0  0  0  0  0           0  0  0
    4.2896   -3.6497    0.0000 C   0  0  0  0  0  0           0  0  0
    4.9008   -4.0005    0.0000 C   0  0  0  0  0  0           0  0  0
    4.9054   -4.7108    0.0000 C   0  0  0  0  0  0           0  0  0
    5.5824   -4.9260    0.0000 C   0  0  3  0  0  0           0  0  0
    5.9963   -4.3487    0.0000 C   0  0  3  0  0  0           0  0  0
    5.5750   -3.7767    0.0000 O   0  0  0  0  0  0           0  0  0
    6.7046   -4.3441    0.0000 C   0  0  0  0  0  0           0  0  0
    7.0598   -4.9556    0.0000 C   0  0  0  0  0  0           0  0  0
    7.7674   -4.9513    0.0000 C   0  0  0  0  0  0           0  0  0
    8.1183   -4.3352    0.0000 C   0  0  0  0  0  0           0  0  0
    7.7564   -3.7220    0.0000 C   0  0  0  0  0  0           0  0  0
    7.0499   -3.7293    0.0000 C   0  0  0  0  0  0           0  0  0
    5.5750   -5.6333    0.0000 C   0  0  0  0  0  0           0  0  0
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    6.1847   -5.9939    0.0000 O   0  0  0  0  0  0           0  0  0
    8.1044   -3.1051    0.0000 O   0  0  0  0  0  0           0  0  0
    8.8266   -4.3297    0.0000 O   0  0  0  0  0  0           0  0  0
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    4.2882   -2.9414    0.0000 O   0  0  0  0  0  0           0  0  0
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    2.4497   -4.7141    0.0000 C   0  0  0  0  0  0           0  0  0
    1.8361   -5.0680    0.0000 C   0  0  0  0  0  0           0  0  0
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    0.6092   -5.0673    0.0000 C   0  0  0  0  0  0           0  0  0
    1.8357   -5.7763    0.0000 O   0  0  0  0  0  0           0  0  0
  3  6  2  0     0  0
 13 14  1  0     0  0
  1  2  2  0     0  0
 14 15  2  0     0  0
 15 10  1  0     0  0
  5  4  2  0     0  0
  7 16  1  0     0  0
  6  7  1  0     0  0
 16 17  2  0     0  0
  7  8  1  0     0  0
 16 18  1  0     0  0
  8  9  1  0     0  0
 14 19  1  0     0  0
  9  5  1  0     0  0
 13 20  1  0     0  0
  4  1  1  0     0  0
 18 21  1  0     0  0
  8 10  1  0     0  0
  4 22  1  0     0  0
  5  6  1  0     0  0
  2 23  1  0     0  0
 10 11  2  0     0  0
 23 24  2  0     0  0
 24 25  1  0     0  0
 11 12  1  0     0  0
 25 26  1  0     0  0
  2  3  1  0     0  0
 26 27  1  0     0  0
 12 13  2  0     0  0
 25 28  2  0     0  0
M  END

$$$$
D00MSU
  -OEChem-10101305022D

 33 35  0     0  0  0  0  0  0999 V2000
    6.0174   -0.0888    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.9458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    0.9458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.7262   -2.1087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7261   -2.1203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2162   -2.9804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8660   -1.5987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8776   -0.5988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0290    0.9111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    1.4458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    2.4458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9350    1.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0290    2.9804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9350    2.4666    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    2.9458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    1.4458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    2.4458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8936   -1.5117    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0218    3.6004    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0000    1.2558    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    0.3258    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 16  2  0  0  0  0
  3 16  1  0  0  0  0
  3 32  1  0  0  0  0
  3 33  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4  7  1  0  0  0  0
  4 18  1  0  0  0  0
  5  6  1  0  0  0  0
  5 19  1  0  0  0  0
  5 20  1  0  0  0  0
  6 21  1  0  0  0  0
  6 22  1  0  0  0  0
  7  8  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 12  2  0  0  0  0
 10 11  2  0  0  0  0
 11 13  1  0  0  0  0
 11 15  1  0  0  0  0
 12 14  1  0  0  0  0
 12 27  1  0  0  0  0
 13 14  2  0  0  0  0
 13 28  1  0  0  0  0
 14 29  1  0  0  0  0
 15 17  2  0  0  0  0
 15 30  1  0  0  0  0
 16 17  1  0  0  0  0
 17 31  1  0  0  0  0
M  END

$$$$
D00MUJ
  -OEChem-10101305022D

 39 40  0     0  0  0  0  0  0999 V2000
    6.0010    2.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.5010    2.8660    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5010    1.1340    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    1.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    1.5000    0.0000 N   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
    5.1350   -2.5000    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
    6.0010   -3.0000    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
    4.2690   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.4030    0.5000    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
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    8.5991    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  1  3  2  0  0  0  0
  1  6  1  0  0  0  0
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 10 16  1  0  0  0  0
 10 25  1  0  0  0  0
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 11 12  1  0  0  0  0
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 13 14  2  0  0  0  0
 13 28  1  0  0  0  0
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 15 18  2  0  0  0  0
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 16 31  1  0  0  0  0
 16 32  1  0  0  0  0
 16 33  1  0  0  0  0
 18 20  1  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 22  2  0  0  0  0
 20 36  1  0  0  0  0
 21 22  1  0  0  0  0
 21 37  1  0  0  0  0
 22 38  1  0  0  0  0
M  END

$$$$
D00MXS
  -OEChem-10101305032D

 33 35  0     0  0  0  0  0  0999 V2000
    6.0290   -0.9259    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -1.8913    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    2.1087    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0174    2.1433    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.9350   -0.4121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -0.8913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 10 12  1  0  0  0  0
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 14 15  1  0  0  0  0
 15 23  1  0  0  0  0
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 18 26  1  0  0  0  0
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 21 31  1  0  0  0  0
 21 32  1  0  0  0  0
 21 33  1  0  0  0  0
M  END

$$$$
D00MXW
  -OEChem-10101305022D

 45 48  0     0  0  0  0  0  0999 V2000
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 18 20  1  0  0  0  0
 18 37  1  0  0  0  0
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 21 39  1  0  0  0  0
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 23 25  2  0  0  0  0
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 25 42  1  0  0  0  0
 26 43  1  0  0  0  0
 26 44  1  0  0  0  0
 26 45  1  0  0  0  0
M  END

$$$$
D00MZD
  -OEChem-04152108562D

 48 50  0     1  0  0  0  0  0999 V2000
    9.8781    2.1170    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
   11.6010    2.2950    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8055    0.8569    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0873    2.6148    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   10.6882    2.7034    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4645    1.3069    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   12.5138    1.8867    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   11.1927    1.3822    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 20  4  1  6  0  0  0
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 21  5  1  6  0  0  0
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 22 24  1  1  0  0  0
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 25 26  2  0  0  0  0
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 27 40  1  0  0  0  0
 27 41  1  0  0  0  0
 27 42  1  0  0  0  0
M  END

$$$$
D00MZS
  -OEChem-10101305022D

 27 28  0     0  0  0  0  0  0999 V2000
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    3.4030   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1 11  1  0  0  0  0
  2 13  1  0  0  0  0
  3 14  1  0  0  0  0
  4 15  1  0  0  0  0
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  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
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 11 14  2  0  0  0  0
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 13 15  2  0  0  0  0
 14 15  1  0  0  0  0
 16 18  1  0  0  0  0
 16 22  1  0  0  0  0
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 17 23  1  0  0  0  0
 18 20  2  0  0  0  0
 18 24  1  0  0  0  0
 19 20  1  0  0  0  0
 19 25  1  0  0  0  0
 20 26  1  0  0  0  0
M  END

$$$$
D00NCL
  -OEChem-10191521542D

 33 36  0     0  0  0  0  0  0999 V2000
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M  END

$$$$
D00NEE
  -OEChem-10101305022D

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 65 66  1  0  0  0  0
 65125  1  0  0  0  0
M  END

$$$$
D00NEK
  -OEChem-10101305022D

 37 40  0     0  0  0  0  0  0999 V2000
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M  END

$$$$
D00NFW
  -OEChem-10101305022D

 40 43  0     0  0  0  0  0  0999 V2000
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 22 39  1  0  0  0  0
 23 40  1  0  0  0  0
M  END

$$$$
D00NIT
  -OEChem-10191522512D

 86 91  0     0  0  0  0  0  0999 V2000
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 46 84  1  0  0  0  0
 47 48  1  0  0  0  0
 47 85  1  0  0  0  0
 48 86  1  0  0  0  0
M  END

$$$$
D00NIX
  -OEChem-04152110342D

 61 66  0     0  0  0  0  0  0999 V2000
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   10.2735   -0.2393    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   11.3516   -1.3219    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1843   -2.4049    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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 25 26  1  0  0  0  0
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 25 48  1  0  0  0  0
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 28 54  1  0  0  0  0
 28 55  1  0  0  0  0
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 29 30  2  0  0  0  0
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 30 32  1  0  0  0  0
 30 57  1  0  0  0  0
 31 33  2  0  0  0  0
 31 58  1  0  0  0  0
 32 34  2  0  0  0  0
 32 59  1  0  0  0  0
 33 34  1  0  0  0  0
 33 60  1  0  0  0  0
 34 61  1  0  0  0  0
M  CHG  1   5   1
M  END

$$$$
D00NJE
  -OEChem-04152122302D

114117  0     1  0  0  0  0  0999 V2000
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 61110  1  0  0  0  0
 61111  1  0  0  0  0
 61112  1  0  0  0  0
M  END

$$$$
D00NNP
  -OEChem-10101305022D

 35 36  0     0  0  0  0  0  0999 V2000
   10.6603    1.7500    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    1.2500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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  1 18  1  0  0  0  0
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  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 19  1  0  0  0  0
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  8 10  1  0  0  0  0
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  9 23  1  0  0  0  0
  9 24  1  0  0  0  0
 10 25  1  0  0  0  0
 10 26  1  0  0  0  0
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 12 30  1  0  0  0  0
 14 15  1  0  0  0  0
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 15 33  1  0  0  0  0
 16 18  1  0  0  0  0
 16 34  1  0  0  0  0
 17 18  2  0  0  0  0
 17 35  1  0  0  0  0
M  END

$$$$
D00NOG
  -OEChem-10101305032D

164165  0     0  0  0  0  0  0999 V2000
   40.9711   -2.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END

$$$$
D00NOH
  -OEChem-10191521292D

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  1 40  1  0  0  0  0
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 18 20  1  0  0  0  0
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 20 22  1  0  0  0  0
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 27 57  1  0  0  0  0
 27 58  1  0  0  0  0
 27 59  1  0  0  0  0
M  END

$$$$
D00NOL
          02161001082D 1   1.00000     0.00000     0

 30 32  0     0  0            999 V2000
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  5  6  2  0     0  0
  9 12  1  0     0  0
 10 14  1  0     0  0
 10 21  2  0     0  0
 13 11  1  0     0  0
 11 12  1  0     0  0
 13 14  1  0     0  0
  6  1  1  0     0  0
  1  2  2  0     0  0
  1  7  1  0     0  0
  3  4  2  0     0  0
  4  8  1  0     0  0
 13 18  2  0     0  0
 14 15  2  0     0  0
 15 16  1  0     0  0
 16 17  1  0     0  0
 17 22  1  0     0  0
 17 18  1  0     0  0
  8  9  1  0     0  0
 15 19  1  0     0  0
 23 24  1  0     0  0
 23 25  2  0     0  0
 18 23  1  0     0  0
  9 10  1  0     0  0
 24 26  1  0     0  0
 16 20  2  0     0  0
 24 27  1  0     0  0
  2 28  1  0     0  0
 22 29  1  0     0  0
  4  5  1  0     0  0
 22 30  1  0     0  0
M  END

$$$$
D00NPE
          04141100242D 1   1.00000     0.00000     0

 29 32  0     0  0            999 V2000
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   -0.3292   -4.9583    0.0000 S   0  0  3  0  0  0           0  0  0
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 14 15  1  0     0  0
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 15 16  2  0     0  0
 16 11  1  0     0  0
 17 18  1  0     0  0
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  9 12  1  0     0  0
 11 10  1  0     0  0
 18 19  1  0     0  0
 19 20  2  0     0  0
 20 21  1  0     0  0
 21 17  2  0     0  0
  6 17  1  0     0  0
 15  2  1  0     0  0
 10  8  1  0     0  0
  2 22  1  0     0  0
  3  2  2  0     0  0
 22 23  1  0     0  0
  5  6  1  0     0  0
 23 24  1  0     0  0
 11 12  2  0     0  0
 23 25  1  0     0  0
 25 26  1  0     0  0
 12 13  1  0     0  0
 25 27  1  0     0  0
  6  7  2  0     0  0
 24 28  2  0     0  0
 13 14  2  0     0  0
 24 29  1  0     0  0
M  END

$$$$
D00NQQ
  -OEChem-10101305022D

 48 50  0     1  0  0  0  0  0999 V2000
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 24 37  1  0  0  0  0
 25 27  1  0  0  0  0
 26 39  1  0  0  0  0
 27 29  2  0  0  0  0
 28 40  1  0  0  0  0
 28 41  1  0  0  0  0
 30 43  1  0  0  0  0
M  END

$$$$
D00NQV
  -OEChem-10191522382D

 54 56  0     1  0  0  0  0  0999 V2000
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 22 25  1  0  0  0  0
 22 26  1  0  0  0  0
 22 47  1  0  0  0  0
 23 48  1  0  0  0  0
 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
M  END

$$$$
D00NRB
  -OEChem-10101305032D

 44 47  0     1  0  0  0  0  0999 V2000
    2.5381   -1.3506    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5124    0.1645    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
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 19 42  1  0  0  0  0
 20 21  3  0  0  0  0
 21 44  1  0  0  0  0
M  END

$$$$
D00NRJ
  -OEChem-10191522422D

 56 58  0     1  0  0  0  0  0999 V2000
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  1  2  1  0  0  0  0
  1  5  1  0  0  0  0
  1  6  1  0  0  0  0
  1 16  1  0  0  0  0
  2 51  1  0  0  0  0
  3  9  1  0  0  0  0
  3 10  1  0  0  0  0
  3 17  1  0  0  0  0
  3 18  1  0  0  0  0
  4  6  1  0  0  0  0
  4 11  1  0  0  0  0
  4 12  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 25  1  0  0  0  0
  6 26  1  0  0  0  0
  7 14  1  0  0  0  0
  7 29  1  0  0  0  0
  7 30  1  0  0  0  0
  8 13  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 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 15  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
 14 39  1  0  0  0  0
 14 40  1  0  0  0  0
 15 43  1  0  0  0  0
 15 44  1  0  0  0  0
 16 19  2  0  0  0  0
 16 20  1  0  0  0  0
 17 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
 18 50  1  0  0  0  0
 19 21  1  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 23  2  0  0  0  0
 21 54  1  0  0  0  0
 22 23  1  0  0  0  0
 22 55  1  0  0  0  0
 23 56  1  0  0  0  0
M  CHG  1   3   1
M  END

$$$$
D00NSA
  -OEChem-10101305022D

 29 31  0     0  0  0  0  0  0999 V2000
    5.9983   -1.5701    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1333    1.7009    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6060    0.5767    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6333    0.1621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3243    1.1131    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9483   -0.6227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6333    0.1621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3089    1.3454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9278   -0.4140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9423    1.1131    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3183   -0.6227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9577    1.3454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3388   -0.4140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6607    0.5767    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6588   -2.3209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7220   -1.1999    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4783   -0.9444    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5485    1.9172    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7865    1.6793    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3141   -0.5018    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9094   -1.0337    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1333    2.3209    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.7079    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1425    1.9372    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7519   -0.8763    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2666    0.7079    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1933   -2.7304    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0683   -2.7864    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1243   -1.9114    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  0  0  0  0
  1 15  1  0  0  0  0
  2  5  1  0  0  0  0
  2 10  1  0  0  0  0
  2 22  1  0  0  0  0
  3  8  1  0  0  0  0
  3  9  1  0  0  0  0
  3 23  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  4  7  1  0  0  0  0
  5  8  1  0  0  0  0
  6  9  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
  8 18  1  0  0  0  0
  8 19  1  0  0  0  0
  9 20  1  0  0  0  0
  9 21  1  0  0  0  0
 10 12  1  0  0  0  0
 11 13  2  0  0  0  0
 12 14  2  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
 14 26  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
M  END

$$$$
D00NST
  -OEChem-10101305022D

 29 31  0     1  0  0  0  0  0999 V2000
    2.5836    2.8049    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6051    0.0283    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5938   -0.0747    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5800   -2.4108    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3958    1.0001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9372   -0.7160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2479   -1.6665    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.2619    1.5001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5298    1.5001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5298    2.5001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9989    0.8330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2619    2.5001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2264   -1.8727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3958    3.0001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5836    1.1954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.0001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5547   -0.2281    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3903   -1.0080    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4405   -2.2558    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6056    0.9609    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7988    2.8101    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0985   -2.4794    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8331   -2.0006    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3542   -1.2660    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3958    3.6201    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3910    0.6061    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7726   -3.0001    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9734   -2.2830    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3800    2.0001    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
  1 16  1  0  0  0  0
  2  3  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3 11  2  0  0  0  0
  7  4  1  6  0  0  0
  4 27  1  0  0  0  0
  4 28  1  0  0  0  0
  5  8  2  0  0  0  0
  5  9  1  0  0  0  0
  6  7  1  0  0  0  0
  6 17  1  0  0  0  0
  6 18  1  0  0  0  0
  7 13  1  0  0  0  0
  7 19  1  0  0  0  0
  8 11  1  0  0  0  0
  8 12  1  0  0  0  0
  9 10  2  0  0  0  0
  9 15  1  0  0  0  0
 10 14  1  0  0  0  0
 11 20  1  0  0  0  0
 12 14  2  0  0  0  0
 12 21  1  0  0  0  0
 13 22  1  0  0  0  0
 13 23  1  0  0  0  0
 13 24  1  0  0  0  0
 14 25  1  0  0  0  0
 15 16  2  0  0  0  0
 15 26  1  0  0  0  0
 16 29  1  0  0  0  0
M  END

$$$$
D00NUK
  -OEChem-10101305022D

 25 25  0     0  0  0  0  0  0999 V2000
    2.8660   -2.4720    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.0280    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.3660   -3.3380    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3660   -1.6060    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7320    2.0280    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7320    2.0280    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.9720    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    3.0280    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.9720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.5981   -0.4720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0000   -2.9720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -2.2820    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -0.7820    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -0.7820    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    1.4631   -3.2820    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1  3  2  0  0  0  0
  1  4  2  0  0  0  0
  1  7  1  0  0  0  0
  1 15  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  2  0  0  0  0
  2  8  1  0  0  0  0
  2 10  1  0  0  0  0
  7  9  1  0  0  0  0
  7 16  1  0  0  0  0
  8 24  1  0  0  0  0
  8 25  1  0  0  0  0
  9 11  2  0  0  0  0
  9 12  1  0  0  0  0
 10 13  2  0  0  0  0
 10 14  1  0  0  0  0
 11 13  1  0  0  0  0
 11 17  1  0  0  0  0
 12 14  2  0  0  0  0
 12 18  1  0  0  0  0
 13 19  1  0  0  0  0
 14 20  1  0  0  0  0
 15 21  1  0  0  0  0
 15 22  1  0  0  0  0
 15 23  1  0  0  0  0
M  END

$$$$
D00NVC
  -OEChem-10101305022D

118120  0     1  0  0  0  0  0999 V2000
    6.3301    4.9827    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.1244    2.4827    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   11.5263    4.9827    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.4827    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   13.2583   -1.0173    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603   -3.5173    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942   -2.0173    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    8.0622    3.9827    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.3923    2.4827    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.3923    0.4827    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603    3.4827    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   14.1244    0.4827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.3923    3.4827    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
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   13.2583    3.9827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   15.8564    0.4827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9904    1.9827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.2583    4.9827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 59118  1  0  0  0  0
M  END

$$$$
D00NWF
  -OEChem-10101305032D

 52 54  0     0  0  0  0  0  0999 V2000
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 28 51  1  0  0  0  0
M  END

$$$$
D00NXA
  -OEChem-10101305022D

 19 20  0     0  0  0  0  0  0999 V2000
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  4  8  2  0  0  0  0
  5  9  2  0  0  0  0
  6  7  2  0  0  0  0
  6 13  1  0  0  0  0
  7 12  1  0  0  0  0
  8 10  1  0  0  0  0
  8 14  1  0  0  0  0
  9 11  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
M  END

$$$$
D00NYG
  -OEChem-10101305022D

 33 35  0     0  0  0  0  0  0999 V2000
    5.4641   -0.9050    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.5950    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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 11 15  1  0  0  0  0
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 13 17  1  0  0  0  0
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 18 29  1  0  0  0  0
 19 30  1  0  0  0  0
 20 31  1  0  0  0  0
M  END

$$$$
D00NYT
  -OEChem-10101305022D

 38 40  0     0  0  0  0  0  0999 V2000
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 22 38  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

$$$$
D00NZP
  -OEChem-10101305022D

 87 90  0     1  0  0  0  0  0999 V2000
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 13  9  1  1  0  0  0
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 13 14  1  0  0  0  0
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 13 49  1  0  0  0  0
 14 17  1  0  0  0  0
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 15 24  1  0  0  0  0
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 16 20  1  0  0  0  0
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 16 55  1  0  0  0  0
 17 22  2  0  0  0  0
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 20 27  2  0  0  0  0
 20 28  1  0  0  0  0
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 22 34  1  0  0  0  0
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 27 29  1  0  0  0  0
 27 60  1  0  0  0  0
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 29 33  1  0  0  0  0
 29 40  2  0  0  0  0
 30 36  2  0  0  0  0
 30 64  1  0  0  0  0
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 32 68  1  0  0  0  0
 33 37  1  0  0  0  0
 33 41  2  0  0  0  0
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 34 70  1  0  0  0  0
 34 71  1  0  0  0  0
 35 72  1  0  0  0  0
 35 73  1  0  0  0  0
 35 74  1  0  0  0  0
 37 75  1  0  0  0  0
 38 42  1  0  0  0  0
 38 76  1  0  0  0  0
 39 43  2  0  0  0  0
 39 77  1  0  0  0  0
 40 45  1  0  0  0  0
 40 78  1  0  0  0  0
 41 46  1  0  0  0  0
 41 79  1  0  0  0  0
 42 44  2  0  0  0  0
 42 80  1  0  0  0  0
 43 44  1  0  0  0  0
 43 81  1  0  0  0  0
 44 84  1  0  0  0  0
 45 46  2  0  0  0  0
 45 85  1  0  0  0  0
 46 86  1  0  0  0  0
M  END

$$$$
D00OAN
  -OEChem-10101305022D

 33 35  0     0  0  0  0  0  0999 V2000
    8.3780   -0.9946    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0864   -2.1486    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5274    1.6619    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0547    0.5377    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0274    0.1230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0274    0.1230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3364    1.0741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7183    1.0741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7123   -0.6617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3424   -0.6617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7029    1.3063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3518    1.3063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7328   -0.4530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3219   -0.4530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.5377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3991   -1.1987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0443   -1.7403    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0232   -1.5362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6895   -2.2819    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5274    2.2819    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    3.5408   -1.2491    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5182    1.8982    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5365    1.8982    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9088   -0.9153    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3940    0.6689    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5172   -2.0668    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2743   -2.3160    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5503   -1.2096    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7932   -0.9604    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2272   -2.6950    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1026   -2.7442    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1518   -1.8688    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 16  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  3 20  1  0  0  0  0
  4 12  1  0  0  0  0
  4 13  2  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  1  0  0  0  0
  6 10  2  0  0  0  0
  7 12  2  0  0  0  0
  8 11  2  0  0  0  0
  9 13  1  0  0  0  0
  9 21  1  0  0  0  0
 10 14  1  0  0  0  0
 10 22  1  0  0  0  0
 11 15  1  0  0  0  0
 11 23  1  0  0  0  0
 12 24  1  0  0  0  0
 13 16  1  0  0  0  0
 14 15  2  0  0  0  0
 14 25  1  0  0  0  0
 15 26  1  0  0  0  0
 17 18  1  0  0  0  0
 17 27  1  0  0  0  0
 17 28  1  0  0  0  0
 18 19  1  0  0  0  0
 18 29  1  0  0  0  0
 18 30  1  0  0  0  0
 19 31  1  0  0  0  0
 19 32  1  0  0  0  0
 19 33  1  0  0  0  0
M  END

$$$$
D00OBS
  -OEChem-10101305022D

 47 49  0     1  0  0  0  0  0999 V2000
    2.0000   -3.4558    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    6.4763    1.2005    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1477   -1.7767    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5013   -1.2386    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.1226    0.6624    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5443   -3.2605    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.3688    2.2316    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.6580    3.3884    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.0152    1.6935    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8335   -0.4943    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.7905   -0.0819    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.8550   -0.7005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7690    0.1244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1441    0.4562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4798   -1.0324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5443   -1.6510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0796    1.0749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.9558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1279   -2.4558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.9558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0582    1.2811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.4558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.4558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.9558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.9558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3473    2.4378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6408   -1.0836    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    9.7896   -0.4953    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3828    0.0370    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3087   -1.8279    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   10.0591    1.6945    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   11.6720    1.1938    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.3291   -1.6458    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.2647    3.5162    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.2439    3.8498    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.6218    1.8214    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.8226    1.1042    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 25  1  0  0  0  0
  2 14  2  0  0  0  0
  3 15  2  0  0  0  0
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  6 19  1  0  0  0  0
  6 20  1  0  0  0  0
  6 40  1  0  0  0  0
  7 21  1  0  0  0  0
  7 26  2  0  0  0  0
  8 26  1  0  0  0  0
  8 44  1  0  0  0  0
  8 45  1  0  0  0  0
  9 26  1  0  0  0  0
  9 46  1  0  0  0  0
  9 47  1  0  0  0  0
 10 12  1  1  0  0  0
 10 14  1  0  0  0  0
 10 27  1  0  0  0  0
 11 13  1  1  0  0  0
 11 15  1  0  0  0  0
 11 28  1  0  0  0  0
 12 16  1  0  0  0  0
 12 29  1  0  0  0  0
 12 30  1  0  0  0  0
 13 17  1  0  0  0  0
 13 31  1  0  0  0  0
 13 32  1  0  0  0  0
 16 18  1  0  0  0  0
 16 19  2  0  0  0  0
 17 21  1  0  0  0  0
 17 35  1  0  0  0  0
 17 36  1  0  0  0  0
 18 20  2  0  0  0  0
 18 22  1  0  0  0  0
 19 37  1  0  0  0  0
 20 23  1  0  0  0  0
 21 38  1  0  0  0  0
 21 39  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
M  END

$$$$
D00OCC
  -OEChem-10101305032D

 39 41  0     0  0  0  0  0  0999 V2000
    6.0010    0.7500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.0010    0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0010    0.7500    0.0000 O   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
    2.5369   -3.2500    0.0000 N   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
    4.2690   -3.2500    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
    3.4030   -3.7500    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
    5.1350   -0.7500    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   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -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
    6.0010    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    2.2500    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
    6.8671    3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0010    3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8015   -1.2750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0044   -1.2750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4810   -3.8326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8796   -3.1423    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0044   -4.2250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8015   -4.2250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3249   -1.6674    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9264   -2.3577    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
    4.5981   -0.4400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -2.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4040   -0.4400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4040   -2.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4040    1.9400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.9400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4040    3.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    3.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    4.3700    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 12  1  0  0  0  0
  1 16  1  0  0  0  0
  4  6  1  0  0  0  0
  4  7  1  0  0  0  0
  4 10  1  0  0  0  0
  5  8  1  0  0  0  0
  5  9  1  0  0  0  0
  5 30  1  0  0  0  0
  6  8  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 24  1  0  0  0  0
  7 25  1  0  0  0  0
  8 28  1  0  0  0  0
  8 29  1  0  0  0  0
  9 26  1  0  0  0  0
  9 27  1  0  0  0  0
 10 11  2  0  0  0  0
 10 13  1  0  0  0  0
 11 12  1  0  0  0  0
 11 31  1  0  0  0  0
 12 14  2  0  0  0  0
 13 15  2  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
 15 34  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 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

$$$$
D00OCS
  -OEChem-10101305022D

163165  0     1  0  0  0  0  0999 V2000
    4.4026  -10.1164    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 75144  1  0  0  0  0
 75145  1  0  0  0  0
M  END

$$$$
D00OCV
  -OEChem-10101305022D

 34 35  0     0  0  0  0  0  0999 V2000
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 16 33  1  0  0  0  0
M  END

$$$$
D00ODL
  -OEChem-10191522152D

 79 83  0     1  0  0  0  0  0999 V2000
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 40 78  1  0  0  0  0
 41 79  1  0  0  0  0
M  END

$$$$
D00ODN
  -OEChem-10101305022D

 37 40  0     0  0  0  0  0  0999 V2000
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  2  6  1  0  0  0  0
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  3  9  1  0  0  0  0
  3 10  2  0  0  0  0
  4  7  1  0  0  0  0
  4 16  2  0  0  0  0
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  5 16  1  0  0  0  0
  6  8  1  0  0  0  0
  6 24  1  0  0  0  0
  6 25  1  0  0  0  0
  7  9  2  0  0  0  0
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  9 11  1  0  0  0  0
 10 26  1  0  0  0  0
 12 14  1  0  0  0  0
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 13 15  2  0  0  0  0
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 14 29  1  0  0  0  0
 15 17  1  0  0  0  0
 15 30  1  0  0  0  0
 16 31  1  0  0  0  0
 17 32  1  0  0  0  0
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 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
 19 33  1  0  0  0  0
 20 22  2  0  0  0  0
 20 34  1  0  0  0  0
 21 23  2  0  0  0  0
 21 35  1  0  0  0  0
 22 23  1  0  0  0  0
 22 36  1  0  0  0  0
 23 37  1  0  0  0  0
M  END

$$$$
D00OFN
  -OEChem-10101305022D

 28 29  0     0  0  0  0  0  0999 V2000
    5.4641    1.5000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    7.1962   -1.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8660   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1 10  1  0  0  0  0
  1 13  1  0  0  0  0
  2  7  1  0  0  0  0
  2 10  2  0  0  0  0
  3  7  2  0  0  0  0
  3 15  1  0  0  0  0
  4 10  1  0  0  0  0
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  5 15  1  0  0  0  0
  5 27  1  0  0  0  0
  5 28  1  0  0  0  0
  6  7  1  0  0  0  0
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  6  9  1  0  0  0  0
  8 11  1  0  0  0  0
  8 17  1  0  0  0  0
  9 12  2  0  0  0  0
  9 18  1  0  0  0  0
 11 14  2  0  0  0  0
 11 21  1  0  0  0  0
 12 14  1  0  0  0  0
 12 22  1  0  0  0  0
 13 16  1  0  0  0  0
 13 19  1  0  0  0  0
 13 20  1  0  0  0  0
 14 23  1  0  0  0  0
 16 24  1  0  0  0  0
 16 25  1  0  0  0  0
 16 26  1  0  0  0  0
M  END

$$$$
D00OFV
  -OEChem-10101305022D

 69 75  0     1  0  0  0  0  0999 V2000
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   10.9693    0.5732    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    9.4914   -0.4122    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    8.0621   -0.6435    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   10.4868    2.8258    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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 11  1  1  1  0  0  0
  1 49  1  0  0  0  0
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 27 29  1  0  0  0  0
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 28 33  2  0  0  0  0
 29 34  2  0  0  0  0
 30 32  1  0  0  0  0
 31 32  1  0  0  0  0
 31 35  2  0  0  0  0
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 33 37  1  0  0  0  0
 33 62  1  0  0  0  0
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 34 63  1  0  0  0  0
 35 39  1  0  0  0  0
 35 64  1  0  0  0  0
 36 40  1  0  0  0  0
 36 65  1  0  0  0  0
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 38 67  1  0  0  0  0
 39 40  2  0  0  0  0
 39 68  1  0  0  0  0
 40 69  1  0  0  0  0
M  END

$$$$
D00OLA
  -OEChem-10101305022D

325333  0     1  0  0  0  0  0999 V2000
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   20.5919   -5.5141    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   23.5740   -7.5408    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   21.6635  -10.5985    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   24.6455  -12.6252    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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165312  1  0  0  0  0
M  END

$$$$
D00OLH
  -OEChem-10101305022D

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M  END

$$$$
D00OLX
  -OEChem-10101305032D

 41 43  0     0  0  0  0  0  0999 V2000
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 23 40  1  0  0  0  0
 23 41  1  0  0  0  0
M  END

$$$$
D00OMV
  -OEChem-04152110192D

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M  END

$$$$
D00OMW
  -OEChem-10191522112D

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M  END

$$$$
D00OPO
  -OEChem-10191521512D

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 53 99  1  0  0  0  0
 54100  1  0  0  0  0
 55101  1  0  0  0  0
M  END

$$$$
D00OQL
  -OEChem-10101305022D

 36 38  0     0  0  0  0  0  0999 V2000
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M  END

$$$$
D00ORM
  -OEChem-10101305022D

 37 39  0     0  0  0  0  0  0999 V2000
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M  END

$$$$
D00OSB
  -OEChem-10101305022D

210214  0     1  0  0  0  0  0999 V2000
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108205  1  0  0  0  0
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109207  1  0  0  0  0
109208  1  0  0  0  0
M  END

$$$$
D00OTC
  -OEChem-10101305032D

 39 40  0     0  0  0  0  0  0999 V2000
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    2.5369   -3.0000    0.0000 O   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
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    5.1350    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
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 21 37  1  0  0  0  0
 21 38  1  0  0  0  0
 21 39  1  0  0  0  0
M  END

$$$$
D00OTH
  -OEChem-08301509492D

 40 43  0     1  0  0  0  0  0999 V2000
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    5.3934    2.1618    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
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  1  3  1  0  0  0  0
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  1  9  1  0  0  0  0
  2  5  1  0  0  0  0
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  2 12  1  0  0  0  0
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  3 21  1  0  0  0  0
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  4 22  1  0  0  0  0
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  5 24  1  0  0  0  0
  5 25  1  0  0  0  0
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  7 28  1  0  0  0  0
  7 29  1  0  0  0  0
  8 10  1  0  0  0  0
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 10 11  1  0  0  0  0
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 12 30  1  0  0  0  0
 12 31  1  0  0  0  0
 12 32  1  0  0  0  0
 13 18  1  0  0  0  0
 13 33  1  0  0  0  0
 14 17  1  0  0  0  0
 14 34  1  0  0  0  0
 15 19  1  0  0  0  0
 15 36  1  0  0  0  0
 16 20  1  0  0  0  0
 16 35  1  0  0  0  0
 17 19  2  0  0  0  0
 17 38  1  0  0  0  0
 18 20  2  0  0  0  0
 18 37  1  0  0  0  0
 19 39  1  0  0  0  0
 20 40  1  0  0  0  0
M  END

$$$$
D00OUF
  -OEChem-10101305022D

 52 54  0     0  0  0  0  0  0999 V2000
    2.8660   -2.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  1 16  1  0  0  0  0
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  2  4  1  0  0  0  0
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  3  7  1  0  0  0  0
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 10 12  1  0  0  0  0
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 10 35  1  0  0  0  0
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 13 40  1  0  0  0  0
 13 41  1  0  0  0  0
 14 15  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 18  2  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
 18 48  1  0  0  0  0
 19 21  2  0  0  0  0
 19 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
M  END

$$$$
D00OWE
  -OEChem-04152109222D

 44 47  0     0  0  0  0  0  0999 V2000
    6.4103    0.2520    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   11.5817    0.1337    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.5567    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.3660    1.1907    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.3660    2.9227    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4939    1.9227    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    5.4641    1.5567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.4103    1.8614    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9939    1.0567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.0567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.5567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9939   -0.6753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.5817   -1.4844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9939   -2.4074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4939   -3.2734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5328   -1.1753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4939   -3.2734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5328   -0.1753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.6767    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   10.6139   -2.4074    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3069    3.2734    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3901   -2.0740    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   13.0344   -1.5398    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1839   -3.8104    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.0344    0.1891    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
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 10 15  1  0  0  0  0
 11 12  2  0  0  0  0
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 13 14  2  0  0  0  0
 13 31  1  0  0  0  0
 14 16  1  0  0  0  0
 14 19  1  0  0  0  0
 15 16  2  0  0  0  0
 15 32  1  0  0  0  0
 16 33  1  0  0  0  0
 17 20  1  0  0  0  0
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 20 23  2  0  0  0  0
 20 24  1  0  0  0  0
 21 34  1  0  0  0  0
 22 25  2  0  0  0  0
 23 26  1  0  0  0  0
 23 36  1  0  0  0  0
 24 27  2  0  0  0  0
 24 37  1  0  0  0  0
 25 28  1  0  0  0  0
 25 39  1  0  0  0  0
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 26 40  1  0  0  0  0
 27 29  1  0  0  0  0
 27 41  1  0  0  0  0
 28 30  2  0  0  0  0
 28 42  1  0  0  0  0
 29 43  1  0  0  0  0
 30 44  1  0  0  0  0
M  END

$$$$
D00OWZ
  -OEChem-10101305032D

 26 27  0     0  0  0  0  0  0999 V2000
    2.9230    2.8184    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.2694    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.2306    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.5411    2.8184    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7320   -0.7694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.2694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.7306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.7694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.2690   -0.4594    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1 13  1  0  0  0  0
  1 14  1  0  0  0  0
  2  9  1  0  0  0  0
  2 16  1  0  0  0  0
  3 10  2  0  0  0  0
  4 10  1  0  0  0  0
  4 13  1  0  0  0  0
  4 21  1  0  0  0  0
  5 13  2  0  0  0  0
  5 15  1  0  0  0  0
  6  7  2  0  0  0  0
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  6 10  1  0  0  0  0
  7 11  1  0  0  0  0
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  8 12  2  0  0  0  0
  8 18  1  0  0  0  0
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 11 19  1  0  0  0  0
 12 20  1  0  0  0  0
 14 15  2  0  0  0  0
 14 22  1  0  0  0  0
 15 23  1  0  0  0  0
 16 24  1  0  0  0  0
 16 25  1  0  0  0  0
 16 26  1  0  0  0  0
M  END

$$$$
D00OXH
  -OEChem-04152108532D

 59 60  0     1  0  0  0  0  0999 V2000
    1.9693    1.2983    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2676   -2.4697    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5117    2.1549    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7797    3.7246    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    5.3418    1.1889    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.9998    0.2492    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.3683    1.8072    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.1049    2.7898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2282    0.3324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2481    1.6115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4224   -0.6571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  8  1  0  0  0  0
  1 10  1  0  0  0  0
 15  2  1  6  0  0  0
  2 47  1  0  0  0  0
  3 25  1  0  0  0  0
  3 59  1  0  0  0  0
  4 25  2  0  0  0  0
  5  7  1  0  0  0  0
  5  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 26  1  1  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6 11  1  6  0  0  0
  6 27  1  0  0  0  0
  7 12  1  1  0  0  0
  7 28  1  0  0  0  0
  8  9  1  0  0  0  0
  8 29  1  6  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 13  1  0  0  0  0
 11 34  1  0  0  0  0
 11 35  1  0  0  0  0
 12 14  2  0  0  0  0
 12 36  1  0  0  0  0
 13 16  2  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
 15 17  1  0  0  0  0
 15 39  1  0  0  0  0
 16 18  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 20  1  0  0  0  0
 18 43  1  0  0  0  0
 18 44  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 23  1  0  0  0  0
 20 48  1  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
 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
 24 58  1  0  0  0  0
M  END

$$$$
D00OZA
  -OEChem-10101305022D

 23 24  0     0  0  0  0  0  0999 V2000
    4.2690   -1.8598    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1629   -0.3944    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -1.8598    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    1.1402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.1402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -0.3598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    1.6402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1629    1.6749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    0.1402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    1.1402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0690    1.1610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0690    0.1194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -1.3598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9331    1.6644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7972    2.1677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    2.2602    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1558    2.2948    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.1698    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.4502    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6047   -0.1927    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -2.4798    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.5498    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3329    2.4798    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  2  0  0  0  0
  2  5  2  0  0  0  0
  2 12  1  0  0  0  0
  3 13  1  0  0  0  0
  3 21  1  0  0  0  0
  3 22  1  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  4  8  2  0  0  0  0
  5  6  1  0  0  0  0
  6  9  2  0  0  0  0
  6 13  1  0  0  0  0
  7 10  2  0  0  0  0
  7 16  1  0  0  0  0
  8 11  1  0  0  0  0
  8 17  1  0  0  0  0
  9 10  1  0  0  0  0
  9 18  1  0  0  0  0
 10 19  1  0  0  0  0
 11 12  2  0  0  0  0
 11 14  1  0  0  0  0
 12 20  1  0  0  0  0
 14 15  3  0  0  0  0
 15 23  1  0  0  0  0
M  END

$$$$
D00OZN
  -OEChem-10101305022D

 31 32  0     0  0  0  0  0  0999 V2000
    7.7331    3.8100    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.7331    2.8100    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.7331    2.8100    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -3.1900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -1.6900    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -3.1900    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    0.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -0.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    1.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    1.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331   -0.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    0.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -1.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -1.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991    1.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -0.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -1.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991    0.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    2.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -2.6900    0.0000 C   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
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    5.1350    0.9300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5380   -1.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1360    1.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.1200    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
    9.1360    0.0000    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
    2.5369   -3.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.8800    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 20  2  0  0  0  0
  5 14  1  0  0  0  0
  5 20  1  0  0  0  0
  5 29  1  0  0  0  0
  6 20  1  0  0  0  0
  6 30  1  0  0  0  0
  6 31  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  2  0  0  0  0
  7 11  1  0  0  0  0
  8 12  2  0  0  0  0
  8 13  1  0  0  0  0
  9 10  1  0  0  0  0
  9 21  1  0  0  0  0
 10 15  2  0  0  0  0
 10 19  1  0  0  0  0
 11 18  2  0  0  0  0
 11 22  1  0  0  0  0
 12 16  1  0  0  0  0
 12 23  1  0  0  0  0
 13 17  2  0  0  0  0
 13 24  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 25  1  0  0  0  0
 16 26  1  0  0  0  0
 17 27  1  0  0  0  0
 18 28  1  0  0  0  0
M  END

$$$$
D00OZS
  -OEChem-10101305022D

 36 36  0     0  0  0  0  0  0999 V2000
    5.4641    3.9400    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.0600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    3.4400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.0600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9641    4.8060    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.3301    4.4400    0.0000 N   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
    2.8660   -2.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -4.0600    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
    2.0000   -5.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.4641    0.9400    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    2.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.9400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  3  1  0  0  0  0
  1  5  2  0  0  0  0
  1  6  2  0  0  0  0
  1  7  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
  4 14  2  0  0  0  0
  7 35  1  0  0  0  0
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  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 20  1  0  0  0  0
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  9 11  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
 10 24  1  0  0  0  0
 10 25  1  0  0  0  0
 11 26  1  0  0  0  0
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 12 28  1  0  0  0  0
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 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
 13 16  1  0  0  0  0
 15 18  1  0  0  0  0
 15 31  1  0  0  0  0
 16 19  2  0  0  0  0
 16 32  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 18 33  1  0  0  0  0
 19 34  1  0  0  0  0
M  END

$$$$
D00PAG
  -OEChem-10191521212D

 42 44  0     1  0  0  0  0  0999 V2000
    9.7897    1.5372    0.0000 S   3  0  0  0  0  0  0  0  0  0  0  0
    8.4752    2.2720    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
   10.1980    2.4500    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
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    3.4026    1.0119    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    9.0615    1.4619    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   11.1109    2.0417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6063    3.3629    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  3  2  0  0  0  0
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  2  8  1  0  0  0  0
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  2 10  2  0  0  0  0
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 18  5  1  6  0  0  0
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 19  6  1  6  0  0  0
  6 35  1  0  0  0  0
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 11 42  1  0  0  0  0
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 20 13  1  1  0  0  0
 13 23  1  0  0  0  0
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 25 26  2  0  0  0  0
 27 37  1  0  0  0  0
M  ISO  1   1  35
M  END

$$$$
D00PAS
  -OEChem-10101305022D

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 26 45  1  0  0  0  0
M  END

$$$$
D00PBI
          04081100442D 1   1.00000     0.00000     0

 30 33  0     0  0            999 V2000
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 23  4  1  0     0  0
 14 19  1  0     0  0
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 17 18  1  0     0  0
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 10 20  1  0     0  0
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 20 21  1  0     0  0
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 17 22  1  0     0  0
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  2  4  1  0     0  0
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 11 12  2  0     0  0
 23 24  2  0     0  0
 12  7  1  0     0  0
 24 25  1  0     0  0
  6 24  1  0     0  0
 25 26  2  0     0  0
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 28 23  1  0     0  0
 13 14  1  0     0  0
  6 29  1  0     0  0
 14 15  1  0     0  0
 26 30  1  0     0  0
M  END

$$$$
D00PCE
  -OEChem-10101305032D

 44 46  0     1  0  0  0  0  0999 V2000
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 20 21  2  0  0  0  0
 22 42  1  0  0  0  0
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 22 44  1  0  0  0  0
M  END

$$$$
D00PEC
  -OEChem-10191522362D

 36 36  0     0  0  0  0  0  0999 V2000
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 15 28  1  0  0  0  0
 15 29  1  0  0  0  0
 16 30  1  0  0  0  0
M  END

$$$$
D00PEJ
  -OEChem-10101305022D

 39 41  0     0  0  0  0  0  0999 V2000
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  1  3  2  0  0  0  0
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 21 33  1  0  0  0  0
 22 23  1  0  0  0  0
 22 34  1  0  0  0  0
 23 35  1  0  0  0  0
M  END

$$$$
D00PEU
  -OEChem-10191522362D

 53 56  0     0  0  0  0  0  0999 V2000
    2.0000    0.7327    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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   11.5263    2.2327    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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 27 29  2  0  0  0  0
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 28 29  1  0  0  0  0
 28 52  1  0  0  0  0
 29 53  1  0  0  0  0
M  END

$$$$
D00PJK
          05010800072D 1   1.00000     0.00000     0

 29 31  0     0  0            999 V2000
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    0.1182   -6.5898    0.0000 C   0  0  0  0  0  0           0  0  0
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    2.0186   -5.6568    0.0000 C   0  0  0  0  0  0           0  0  0
    1.3425   -5.8755    0.0000 C   0  0  0  0  0  0           0  0  0
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    2.4355   -6.2284    0.0000 C   0  0  0  0  0  0           0  0  0
    2.0125   -4.9458    0.0000 C   0  0  0  0  0  0           0  0  0
    3.1438   -6.2265    0.0000 C   0  0  0  0  0  0           0  0  0
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   -0.4940   -5.5249    0.0000 F   0  0  0  0  0  0           0  0  0
 13 14  2  0     0  0
  1  2  2  0     0  0
 14 15  1  0     0  0
  6  4  2  0     0  0
 15 16  2  0     0  0
  5  6  1  0     0  0
 16 17  1  0     0  0
  7  8  1  0     0  0
 17 18  2  0     0  0
 18 13  1  0     0  0
  8  9  1  0     0  0
 16 19  1  0     0  0
  9  5  2  0     0  0
 19 20  1  0     0  0
  4  1  1  0     0  0
 10 21  1  0     0  0
  5 10  1  0     0  0
 21 22  1  0     0  0
  6  7  1  0     0  0
 21 23  2  0     0  0
  9 11  1  0     0  0
 22 24  1  0     0  0
 24 25  1  0     0  0
  8 12  2  0     0  0
 25 26  1  0     0  0
  2  3  1  0     0  0
 26 27  1  0     0  0
 12 13  1  0     0  0
 26 28  1  0     0  0
  3  7  2  0     0  0
  1 29  1  0     0  0
M  END

$$$$
D00PJT
  -OEChem-10101305032D

 32 34  0     1  0  0  0  0  0999 V2000
    9.8602    0.7742    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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    6.3301   -2.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.2500    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    4.5981    0.7500    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
    7.1962   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    0.2500    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
    3.7320    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0901   -1.2847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0901    0.7847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.7500    0.0000 C   0  0  0  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
    2.8660    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9962   -0.7708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9962    0.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8535   -0.6423    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2520   -1.3326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    2.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0829   -1.9046    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7320    2.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291    0.4400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5319   -1.0829    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100    2.7869    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    2.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900    1.7131    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 18  1  0  0  0  0
  2  4  1  0  0  0  0
  2  9  1  0  0  0  0
  3  7  2  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  1  0  0  0
  4 20  1  0  0  0  0
  5  7  1  0  0  0  0
  5 21  1  0  0  0  0
  5 22  1  0  0  0  0
  6 10  2  0  0  0  0
  6 11  1  0  0  0  0
  7  8  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 15  1  0  0  0  0
 10 23  1  0  0  0  0
 11 16  2  0  0  0  0
 11 24  1  0  0  0  0
 12 17  2  0  0  0  0
 12 25  1  0  0  0  0
 13 18  2  0  0  0  0
 13 26  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 14 19  1  0  0  0  0
 15 27  1  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
 19 30  1  0  0  0  0
 19 31  1  0  0  0  0
 19 32  1  0  0  0  0
M  END

$$$$
D00PLH
  -OEChem-10101305022D

 28 29  0     1  0  0  0  0  0999 V2000
    2.0000   -1.2500    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    1.2500    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -3.2500    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    3.2500    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.2500    0.0000 C   0  0  3  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
    4.5981    0.2500    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
    2.8660   -1.7500    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
    5.4641    1.7500    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
    4.5981   -2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.7500    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
    3.7320    2.7500    0.0000 C   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
    4.5981    3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -1.4400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951    1.4400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -3.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -0.0600    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
    4.5981    3.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  0  0  0  0
  2 13  1  0  0  0  0
  3 15  1  0  0  0  0
  4 18  1  0  0  0  0
  5  7  1  0  0  0  0
  5 26  1  0  0  0  0
  6  9  2  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 21  1  0  0  0  0
  8 11  2  0  0  0  0
  8 12  1  0  0  0  0
  9 10  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
 12 15  2  0  0  0  0
 12 22  1  0  0  0  0
 13 19  1  0  0  0  0
 14 18  2  0  0  0  0
 14 23  1  0  0  0  0
 15 17  1  0  0  0  0
 16 17  2  0  0  0  0
 16 24  1  0  0  0  0
 17 25  1  0  0  0  0
 18 20  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
M  END

$$$$
D00PLM
  -OEChem-10101305022D

 23 24  0     0  0  0  0  0  0999 V2000
    3.2733   -0.2306    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.4249    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8135    3.2520    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9483   -3.3184    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4013    2.4430    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0823   -0.8184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0823   -1.8184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8913   -0.2306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5823    0.7204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5823    0.7204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2163   -2.3184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9483   -2.3184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9945    1.5294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2163   -3.3184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0823   -3.8184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4810   -0.4222    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9467    1.2220    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6794   -2.0084    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4853   -2.0084    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6794   -3.6284    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0823   -4.4384    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0179    2.5078    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0657    3.8184    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  9  1  0  0  0  0
  2 13  2  0  0  0  0
  3  5  1  0  0  0  0
  3 23  1  0  0  0  0
  4 12  1  0  0  0  0
  4 15  2  0  0  0  0
  5 13  1  0  0  0  0
  5 22  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  2  0  0  0  0
  7 11  1  0  0  0  0
  7 12  2  0  0  0  0
  8 10  1  0  0  0  0
  8 16  1  0  0  0  0
  9 10  2  0  0  0  0
  9 13  1  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 19  1  0  0  0  0
 14 15  1  0  0  0  0
 14 20  1  0  0  0  0
 15 21  1  0  0  0  0
M  END

$$$$
D00PMF
  -OEChem-10101305032D

 18 17  0     0  0  0  0  0  0999 V2000
    0.5369    3.3100    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    1.5005    6.3100    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.2690    4.3100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0010    1.3100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2690    1.3100    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1350    2.8100    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5369    1.3100    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5369    0.3100    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    1.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    2.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2690    3.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1350    1.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2690    0.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6720    3.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0739    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5005    6.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
  2 18  1  0  0  0  0
  3 11  2  0  0  0  0
  4 12  2  0  0  0  0
  5  9  1  0  0  0  0
  5 12  1  0  0  0  0
  5 13  1  0  0  0  0
  6 11  1  0  0  0  0
  6 12  1  0  0  0  0
  6 14  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
  8 16  1  0  0  0  0
  8 17  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
M  END

$$$$
D00PMS
  -OEChem-10101305032D

 43 46  0     0  0  0  0  0  0999 V2000
    9.2337    2.3709    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4290    3.7647    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0000    0.9296    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    2.4296    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9889   -1.3256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2619    0.4296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3211   -2.0699    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2619    0.4296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.0704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.9296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6318   -3.0204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.7619    1.2957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8660    1.4296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 20 36  1  0  0  0  0
 20 37  1  0  0  0  0
 21 22  1  0  0  0  0
 22 38  1  0  0  0  0
 23 39  1  0  0  0  0
 24 40  1  0  0  0  0
 24 41  1  0  0  0  0
M  END

$$$$
D00POF
  -OEChem-10101305022D

 37 39  0     0  0  0  0  0  0999 V2000
    2.5369   -0.6121    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -2.1121    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    0.3879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -0.6121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8010    0.4087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8950    0.9226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -1.1121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8950   -1.1467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    0.8879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -0.6121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8010   -0.6329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.3879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6651    0.9121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5331    0.4154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -1.1121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3972    0.9188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2651    0.4221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3933    1.9187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1292    0.9254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2574    2.4221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1254    1.9254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8878    1.5425    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -1.7321    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8878   -1.7667    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    8.3368   -0.9450    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.6979    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6628    1.5321    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5355   -0.2046    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2675   -0.1979    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8552    2.2267    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.6673    0.6175    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2550    3.0421    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.6611    2.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.9221    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    0.0079    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.4221    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 15  1  0  0  0  0
  1 35  1  0  0  0  0
  1 36  1  0  0  0  0
  2 15  2  0  0  0  0
  2 37  1  0  0  0  0
  3  4  2  0  0  0  0
  3  6  1  0  0  0  0
  3  9  1  0  0  0  0
  4  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  6  2  0  0  0  0
  5 11  1  0  0  0  0
  5 13  1  0  0  0  0
  6 22  1  0  0  0  0
  7 10  2  0  0  0  0
  7 23  1  0  0  0  0
  8 11  2  0  0  0  0
  8 24  1  0  0  0  0
  9 12  2  0  0  0  0
  9 25  1  0  0  0  0
 10 12  1  0  0  0  0
 10 15  1  0  0  0  0
 11 26  1  0  0  0  0
 12 27  1  0  0  0  0
 13 14  2  0  0  0  0
 13 28  1  0  0  0  0
 14 16  1  0  0  0  0
 14 29  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 30  1  0  0  0  0
 18 20  2  0  0  0  0
 18 31  1  0  0  0  0
 19 21  2  0  0  0  0
 19 32  1  0  0  0  0
 20 21  1  0  0  0  0
 20 33  1  0  0  0  0
 21 34  1  0  0  0  0
M  END

$$$$
D00PPB
  -OEChem-10101305022D

 43 45  0     0  0  0  0  0  0999 V2000
    7.1962    5.7500    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.1962    4.7500    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.1962    4.7500    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -3.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.7500    0.0000 O   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    2.2500    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    3.2500    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
    7.1962    1.7500    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
    4.5981    0.2500    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
    8.0622    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    4.7500    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
    5.4641   -1.2500    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
    3.7320   -2.2500    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
    3.7320   -4.2500    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   -4.2500    0.0000 C   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
    2.0000   -5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2520    2.3326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8535    1.6423    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7932    3.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    0.4400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    1.1300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991    3.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991    1.9400    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
    6.0010   -0.9400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951   -2.5600    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
    2.8660   -3.1300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -5.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -3.9400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -6.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -5.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 16  1  0  0  0  0
  2 16  1  0  0  0  0
  3 16  1  0  0  0  0
  4 19  1  0  0  0  0
  4 22  1  0  0  0  0
  5 13  2  0  0  0  0
  6  8  1  0  0  0  0
  6 13  1  0  0  0  0
  6 31  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  2  0  0  0  0
  7 11  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 30  1  0  0  0  0
 10 14  2  0  0  0  0
 10 16  1  0  0  0  0
 11 15  2  0  0  0  0
 11 32  1  0  0  0  0
 12 13  1  0  0  0  0
 12 17  2  0  0  0  0
 12 18  1  0  0  0  0
 14 15  1  0  0  0  0
 14 33  1  0  0  0  0
 15 34  1  0  0  0  0
 17 20  1  0  0  0  0
 17 35  1  0  0  0  0
 18 21  2  0  0  0  0
 18 36  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 20 37  1  0  0  0  0
 21 38  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 39  1  0  0  0  0
 24 26  2  0  0  0  0
 24 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
 27 43  1  0  0  0  0
M  END

$$$$
D00PQC
  -OEChem-10191522032D

 45 46  0     1  0  0  0  0  0999 V2000
    6.8909   -2.5722    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
    8.4732   -3.2767    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
   10.0555   -3.9812    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    5.0298   -0.1076    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1330   -1.8677    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4608    0.2014    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3031   -1.7632    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4888    1.4802    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4787   -3.3812    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6999   -1.9844    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0819   -3.1600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4677   -3.1721    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5778   -4.2712    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3687   -2.2821    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6433   -4.7902    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8645   -3.3934    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2465   -4.5689    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2208    1.4802    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3548    2.9802    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2208    4.4802    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7208   -1.0587    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.4118   -0.1076    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.7208   -1.0587    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.2208    0.4802    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.3086   -1.8677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0868    1.9802    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3548    1.9802    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0868    2.9802    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2208    3.4802    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1085   -0.9617    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9734   -0.5460    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3332   -0.9617    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6684    0.7616    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7514   -2.1395    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4795   -2.4637    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3852   -2.4341    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.2135    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6238    1.6702    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6238    3.2902    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6351   -1.3678    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7578    4.7902    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6839    4.7902    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0762   -4.6356    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2599   -4.7254    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7997   -2.7768    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 23  1  0  0  0  0
  4 24  1  0  0  0  0
 21  5  1  1  0  0  0
  5 36  1  0  0  0  0
 22  6  1  1  0  0  0
  6 37  1  0  0  0  0
  7 25  1  0  0  0  0
  8 27  2  0  0  0  0
 10 40  1  0  0  0  0
 13 43  1  0  0  0  0
 15 44  1  0  0  0  0
 16 45  1  0  0  0  0
 24 18  1  6  0  0  0
 18 26  1  0  0  0  0
 18 27  1  0  0  0  0
 19 27  1  0  0  0  0
 19 29  2  0  0  0  0
 20 29  1  0  0  0  0
 20 41  1  0  0  0  0
 20 42  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  1  0  0  0  0
 21 30  1  0  0  0  0
 22 24  1  0  0  0  0
 22 31  1  0  0  0  0
 23 25  1  6  0  0  0
 23 32  1  0  0  0  0
 24 33  1  0  0  0  0
 25 34  1  0  0  0  0
 25 35  1  0  0  0  0
 26 28  2  0  0  0  0
 26 38  1  0  0  0  0
 28 29  1  0  0  0  0
 28 39  1  0  0  0  0
M  END

$$$$
D00PRE
  -OEChem-10101305022D

 30 31  0     0  0  0  0  0  0999 V2000
    3.0000    3.3450    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -4.6550    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.6550    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.0000   -3.6550    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.0000    3.3450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    3.3450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    4.3450    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    0.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -0.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    2.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8660    0.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1340    0.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8660    1.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1340    1.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1340   -1.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8660   -1.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -2.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1340   -2.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8660   -2.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -3.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4030    0.5350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5970    0.5350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4030    2.1550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5970    2.1550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5970   -0.8450    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4030   -0.8450    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5970   -2.4650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4030   -2.4650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5369    4.6550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4631    4.6550    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  7  1  0  0  0  0
  1 10  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
  7 29  1  0  0  0  0
  7 30  1  0  0  0  0
  8  9  1  0  0  0  0
  8 11  2  0  0  0  0
  8 12  1  0  0  0  0
  9 15  2  0  0  0  0
  9 16  1  0  0  0  0
 10 13  2  0  0  0  0
 10 14  1  0  0  0  0
 11 13  1  0  0  0  0
 11 21  1  0  0  0  0
 12 14  2  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
 15 18  1  0  0  0  0
 15 25  1  0  0  0  0
 16 19  2  0  0  0  0
 16 26  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 17 20  1  0  0  0  0
 18 27  1  0  0  0  0
 19 28  1  0  0  0  0
M  END

$$$$
D00PRR
  -OEChem-10191522262D

 42 43  0     0  0  0  0  0  0999 V2000
    2.0000   -0.3236    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    8.4333    2.7452    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    9.1477   -0.6445    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    8.1226    1.7947    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4798    0.0998    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7440    3.6957    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3838    2.4345    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8155   -1.3888    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8920    0.0234    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4034   -1.3123    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4828    3.0558    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5443   -0.5188    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5443   -2.1283    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.3236    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.8236    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.3236    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8335    0.6379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8550    0.4317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1441    1.5884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5013   -0.1064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.8236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1279   -1.3236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.8236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.3236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.8236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.8236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6408    0.0486    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8344    1.0514    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2411    0.5190    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1236    2.2081    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5303    1.6758    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9750   -0.4340    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7326   -0.6816    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7479   -1.3236    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -3.6336    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5560   -3.2866    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -4.1335    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1760   -4.3605    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3506    3.8236    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8453    2.8486    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4222   -1.2609    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4813   -0.1692    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 25  1  0  0  0  0
  2  4  1  0  0  0  0
  2  6  1  0  0  0  0
  2  7  1  0  0  0  0
  2 11  2  0  0  0  0
  3  5  1  0  0  0  0
  3  8  1  0  0  0  0
  3  9  1  0  0  0  0
  3 10  2  0  0  0  0
  4 19  1  0  0  0  0
  5 20  1  0  0  0  0
  6 39  1  0  0  0  0
  7 40  1  0  0  0  0
  8 41  1  0  0  0  0
  9 42  1  0  0  0  0
 12 18  1  0  0  0  0
 12 21  1  0  0  0  0
 12 22  1  0  0  0  0
 13 22  2  0  0  0  0
 13 23  1  0  0  0  0
 14 21  1  0  0  0  0
 14 25  2  0  0  0  0
 15 24  2  0  0  0  0
 15 25  1  0  0  0  0
 16 24  1  0  0  0  0
 16 26  1  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
 17 20  1  0  0  0  0
 17 27  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
 20 32  1  0  0  0  0
 20 33  1  0  0  0  0
 21 23  2  0  0  0  0
 22 34  1  0  0  0  0
 23 24  1  0  0  0  0
 26 36  1  0  0  0  0
 26 37  1  0  0  0  0
 26 38  1  0  0  0  0
M  END

$$$$
D00PSJ
  -OEChem-10101305032D

 20 20  0     0  0  0  0  0  0999 V2000
    2.8090   -0.2694    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3090    1.2694    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2633    0.3695    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5691    0.0093    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6180    0.3184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3122    0.6785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3090    1.2694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.3184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8090   -1.2694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2780   -0.5381    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0577   -0.3724    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6033    1.2259    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8237    1.0602    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6734    1.7710    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4103    0.1268    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1890   -1.2694    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8090   -1.8894    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4290   -1.2694    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7240    0.7843    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3922   -0.2370    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1  8  1  0  0  0  0
  1  9  1  0  0  0  0
  2  7  1  0  0  0  0
  2  8  2  0  0  0  0
  3  6  1  0  0  0  0
  3 19  1  0  0  0  0
  3 20  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4 10  1  0  0  0  0
  4 11  1  0  0  0  0
  5  7  2  0  0  0  0
  6 12  1  0  0  0  0
  6 13  1  0  0  0  0
  7 14  1  0  0  0  0
  8 15  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
M  END

$$$$
D00PSW
  -OEChem-10101305022D

 45 49  0     0  0  0  0  0  0999 V2000
    3.9270   -0.7948    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5365   -0.7950    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2317   -1.7412    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7319    0.7887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4230    2.6721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2592    1.2238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5868    1.2238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7319    1.8340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6375    0.3119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7500    0.7410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2592    2.1894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5868    2.1894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4230    0.9210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7318   -0.2113    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2376   -1.7454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9902   -0.4450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6881   -2.5808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1326   -0.9593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6922   -2.6721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.9505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6412    0.6062    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8516    1.0411    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4230    3.2921    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2687    1.1319    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5568    0.1519    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    6.1627   -0.0176    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3882    2.3500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1384    1.6545    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0530    0.4235    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7929    0.4235    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3747    2.7720    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9762    2.0817    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    6.4712    2.7720    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3309    0.0730    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5610    0.0024    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6059   -3.1954    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2689   -2.7978    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9400   -0.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5152   -1.0159    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1605   -2.9910    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8848   -3.2615    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4192   -1.7336    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6593   -2.4685    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
  1 16  1  0  0  0  0
  2  3  1  0  0  0  0
  2 14  2  0  0  0  0
  3 15  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
  4 14  1  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
  5 23  1  0  0  0  0
  6  9  1  0  0  0  0
  6 11  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 13  1  0  0  0  0
  7 21  1  0  0  0  0
  8 28  1  0  0  0  0
  8 29  1  0  0  0  0
  9 26  1  0  0  0  0
  9 27  1  0  0  0  0
 10 24  1  0  0  0  0
 10 25  1  0  0  0  0
 11 34  1  0  0  0  0
 11 35  1  0  0  0  0
 12 32  1  0  0  0  0
 12 33  1  0  0  0  0
 13 30  1  0  0  0  0
 13 31  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  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
 17 39  1  0  0  0  0
 18 20  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 44  1  0  0  0  0
 20 45  1  0  0  0  0
M  END

$$$$
D00PUF
  -OEChem-10101305022D

 17 16  0     1  0  0  0  0  0999 V2000
    4.2690   -0.5950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    0.9050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -0.5950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    0.4050    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.4050    0.0000 C   0  0  3  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
    3.4030    0.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    0.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8059    0.0950    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5335    1.3800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7365    1.3800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8015    1.3800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0044    1.3800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.7150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -0.2150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.9050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4040    0.5950    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1 16  1  0  0  0  0
  2  8  1  0  0  0  0
  2 17  1  0  0  0  0
  3  8  2  0  0  0  0
  4  7  1  0  0  0  0
  4 14  1  0  0  0  0
  4 15  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5  9  1  0  0  0  0
  6  8  1  0  0  0  0
  6 10  1  0  0  0  0
  6 11  1  0  0  0  0
  7 12  1  0  0  0  0
  7 13  1  0  0  0  0
M  END

$$$$
D00PUR
  -OEChem-10101305032D

 36 39  0     0  0  0  0  0  0999 V2000
    4.6783   -2.0368    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   10.7619    1.3660    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2619   -1.2320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2619   -1.2320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.7321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7619   -0.3660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.7320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7619   -0.3660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783   -0.4273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2619    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7619   -2.0981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2619   -1.2320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0000   -0.7321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.7320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.0719    1.9030    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 20  1  0  0  0  0
  2 36  1  0  0  0  0
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  3 11  2  0  0  0  0
  4  9  2  0  0  0  0
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  5 14  2  0  0  0  0
  6  8  2  0  0  0  0
  6 10  1  0  0  0  0
  6 12  1  0  0  0  0
  7 15  2  0  0  0  0
  8 23  1  0  0  0  0
  9 24  1  0  0  0  0
 10 16  2  0  0  0  0
 10 17  1  0  0  0  0
 11 13  1  0  0  0  0
 11 25  1  0  0  0  0
 12 13  2  0  0  0  0
 12 26  1  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  1  0  0  0  0
 15 29  1  0  0  0  0
 16 20  1  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 19  2  0  0  0  0
 18 32  1  0  0  0  0
 19 33  1  0  0  0  0
 20 22  2  0  0  0  0
 21 22  1  0  0  0  0
 21 34  1  0  0  0  0
 22 35  1  0  0  0  0
M  END

$$$$
D00PVO
  -OEChem-10101305032D

 42 45  0     1  0  0  0  0  0999 V2000
   11.4371   -2.8251    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    7.0747    0.7437    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.4782    1.7036    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3147   -2.2909    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1808   -0.7909    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.9808   -0.8117    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    5.3147    2.7091    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4487    0.2091    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.4487   -0.7909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1808    0.2091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0747   -1.3256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3147    0.7091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3147   -1.2909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5827    0.7091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.6691    0.3024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3147    1.7091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.1150   -1.0138    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 26  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 19  1  0  0  0  0
  4 13  2  0  0  0  0
  5 10  1  0  0  0  0
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  6 15  1  0  0  0  0
  6 16  1  0  0  0  0
  7 18  3  0  0  0  0
  8  9  1  0  0  0  0
  8 12  1  0  0  0  0
  8 14  1  0  0  0  0
  8 27  1  0  0  0  0
  9 13  1  0  0  0  0
  9 28  1  0  0  0  0
  9 29  1  0  0  0  0
 10 12  2  0  0  0  0
 11 30  1  0  0  0  0
 11 31  1  0  0  0  0
 12 18  1  0  0  0  0
 14 17  2  0  0  0  0
 15 32  1  0  0  0  0
 15 33  1  0  0  0  0
 16 21  2  0  0  0  0
 16 22  1  0  0  0  0
 17 20  1  0  0  0  0
 17 34  1  0  0  0  0
 19 20  2  0  0  0  0
 19 23  1  0  0  0  0
 20 35  1  0  0  0  0
 21 24  1  0  0  0  0
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 22 25  2  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
 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

$$$$
D00PWV
  -OEChem-10101305022D

 37 38  0     1  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
    3.7320   -2.9400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.5600    0.0000 C   0  0  3  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
    3.7320   -0.9400    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    0.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.4400    0.0000 C   0  0  3  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    0.0600    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
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    2.8660   -2.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.3301    3.5600    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
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  1 16  1  0  0  0  0
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  3  4  1  0  0  0  0
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  3  9  1  0  0  0  0
  3 20  1  0  0  0  0
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  4 10  1  0  0  0  0
  5  7  1  0  0  0  0
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  5 11  2  0  0  0  0
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  6 15  1  0  0  0  0
  7 22  1  0  0  0  0
  8 13  1  0  0  0  0
  8 16  1  0  0  0  0
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  9 23  1  0  0  0  0
  9 24  1  0  0  0  0
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 10 12  2  0  0  0  0
 10 26  1  0  0  0  0
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 13 29  1  0  0  0  0
 13 30  1  0  0  0  0
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 14 32  1  0  0  0  0
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 17 19  2  0  0  0  0
 17 34  1  0  0  0  0
 18 19  1  0  0  0  0
 18 35  1  0  0  0  0
 19 36  1  0  0  0  0
M  END

$$$$
D00PXF
  -OEChem-10101305022D

 33 35  0     0  0  0  0  0  0999 V2000
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  1 18  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
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 19 20  1  0  0  0  0
 19 32  1  0  0  0  0
 20 33  1  0  0  0  0
M  END

$$$$
D00PXO
  -OEChem-10191521412D

 53 55  0     1  0  0  0  0  0999 V2000
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 23 28  2  0  0  0  0
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 25 28  1  0  0  0  0
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 26 29  1  0  0  0  0
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 28 48  1  0  0  0  0
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 31 33  1  0  0  0  0
 31 51  1  0  0  0  0
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 32 52  1  0  0  0  0
 33 35  2  0  0  0  0
 34 35  1  0  0  0  0
 34 53  1  0  0  0  0
M  CHG  2   7  -1  12   1
M  END

$$$$
D00PYB
  -OEChem-10101305022D

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 21 39  1  0  0  0  0
 22 40  1  0  0  0  0
 22 41  1  0  0  0  0
 22 42  1  0  0  0  0
M  CHG  1   4   1
M  END

$$$$
D00PYW
  -OEChem-10101305022D

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 18 20  2  0  0  0  0
 18 37  1  0  0  0  0
 19 38  1  0  0  0  0
 20 39  1  0  0  0  0
M  END

$$$$
D00PZE
  -OEChem-10101305022D

 45 48  0     1  0  0  0  0  0999 V2000
    8.6524    2.3999    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0185    0.1839    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0024   -1.9077    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3955    1.1446    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    8.3417    1.4493    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.5294    1.6446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3417   -0.1601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6634    1.1446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9253    0.6446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.3955    2.1446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7534   -0.3622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.8266    0.2018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8703   -1.4111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  8  1  1  1  0  0  0
  1 41  1  0  0  0  0
  2 20  1  0  0  0  0
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  3 21  1  0  0  0  0
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  9 26  1  0  0  0  0
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 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
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 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 36  1  0  0  0  0
 14 37  1  0  0  0  0
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 15 17  1  0  0  0  0
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 16 39  1  0  0  0  0
 16 40  1  0  0  0  0
 17 19  2  0  0  0  0
 18 20  1  0  0  0  0
 18 42  1  0  0  0  0
 19 21  1  0  0  0  0
 19 43  1  0  0  0  0
 20 21  2  0  0  0  0
M  END

$$$$
D00PZM
  -OEChem-10101305032D

 45 49  0     1  0  0  0  0  0999 V2000
    4.6929    0.0626    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7210   -3.0718    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3631    2.8136    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.5283    4.6215    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3839    1.0136    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    3.0749    0.0626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8839   -0.5252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.5865   -3.2606    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
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    2.8492    1.9076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8427   -1.9937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9185    1.9076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0000   -1.3814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4047    2.8136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0032    1.8825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  7  1  0  0  0  0
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 14 32  1  0  0  0  0
 15 18  1  0  0  0  0
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 16 22  1  0  0  0  0
 17 18  2  0  0  0  0
 17 33  1  0  0  0  0
 18 34  1  0  0  0  0
 19 23  1  0  0  0  0
 20 35  1  0  0  0  0
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 20 37  1  0  0  0  0
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 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 43  1  0  0  0  0
 24 25  1  0  0  0  0
 24 44  1  0  0  0  0
M  END

$$$$
D00QCL
  -OEChem-10101305032D

 47 49  0     0  0  0  0  0  0999 V2000
    6.3301    0.2450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0000    1.7450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    7.1962   -1.2550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0785    1.2796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.3301   -1.7550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.4641   -1.2550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9387    1.7896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.2450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.3984   -0.0387    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   10.3207    3.6157    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1  8  1  0  0  0  0
  1 13  1  0  0  0  0
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 10 28  1  0  0  0  0
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 17 19  2  0  0  0  0
 17 31  1  0  0  0  0
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 18 21  1  0  0  0  0
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 20 24  1  0  0  0  0
 20 32  1  0  0  0  0
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 21 33  1  0  0  0  0
 22 38  1  0  0  0  0
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 22 40  1  0  0  0  0
 23 35  1  0  0  0  0
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 23 37  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
 27 44  1  0  0  0  0
 27 45  1  0  0  0  0
 27 46  1  0  0  0  0
M  END

$$$$
D00QCP
  -OEChem-10101305032D

 35 36  0     1  0  0  0  0  0999 V2000
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M  END

$$$$
D00QCX
          06121000062D 1   1.00000     0.00000     0

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 18 19  1  0     0  0
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 10  5  1  0     0  0
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 22  1  1  0     0  0
  8 11  1  0     0  0
M  END

$$$$
D00QDE
  -OEChem-04152109502D

 31 34  0     0  0  0  0  0  0999 V2000
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 21 29  1  0  0  0  0
M  END

$$$$
D00QDR
  BIDD-NUS20110812001D

 67 72  0  0  0  0  0  0  0  0999 V2000
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M  ENDM  END

$$$$
D00QFL
  -OEChem-10191521502D

 50 51  0     0  0  0  0  0  0999 V2000
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 26 50  1  0  0  0  0
M  END

$$$$
D00QGB
  MDL     03130713412D 1   1.00000     0.00000     0

 22 24  0     0  0            999 V2000
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  1  2  1  0     0  0
  6 12  1  0     0  0
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  3  5  1  0     0  0
 14 15  1  0     0  0
 14  1  1  0     0  0
 14 16  1  0     0  0
  1 12  2  0     0  0
 17 18  1  0     0  0
 17 12  1  0     0  0
 13 18  1  0     0  0
 15 18  1  0     0  0
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 18 19  1  1     0  0
  2  3  1  0     0  0
 14 20  1  6     0  0
 16 13  1  0     0  0
 10 11  2  0     0  0
  8 21  1  0     0  0
 11  6  1  0     0  0
  9 22  1  0     0  0
M  END

$$$$
D00QIA
  -OEChem-10101305022D

 36 35  0     1  0  0  0  0  0999 V2000
    6.3301    1.1900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.6900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  8 11  1  0  0  0  0
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 10 23  1  0  0  0  0
 10 24  1  0  0  0  0
 10 25  1  0  0  0  0
 11 27  1  0  0  0  0
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 13 33  1  0  0  0  0
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 13 35  1  0  0  0  0
 14 36  1  0  0  0  0
M  ISO  1  14  13
M  END

$$$$
D00QIU
  -OEChem-10191522212D

 57 56  0     1  0  0  0  0  0999 V2000
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M  END

$$$$
D00QLH
  -OEChem-10101305022D

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M  END

$$$$
D00QLM
  -OEChem-10191523042D

 49 51  0     1  0  0  0  0  0999 V2000
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  1  7  1  0  0  0  0
  1  8  1  0  0  0  0
  1  9  2  0  0  0  0
  1 29  1  0  0  0  0
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 21  5  1  1  0  0  0
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 22  6  1  1  0  0  0
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 11 47  1  0  0  0  0
 13 49  1  0  0  0  0
 14 48  1  0  0  0  0
 24 16  1  6  0  0  0
 16 26  1  0  0  0  0
 16 27  1  0  0  0  0
 17 27  2  0  0  0  0
 17 28  1  0  0  0  0
 18 26  2  0  0  0  0
 18 31  1  0  0  0  0
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 19 31  2  0  0  0  0
 20 30  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
 21 23  1  0  0  0  0
 21 32  1  0  0  0  0
 22 24  1  0  0  0  0
 22 33  1  0  0  0  0
 23 25  1  6  0  0  0
 23 34  1  0  0  0  0
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 25 36  1  0  0  0  0
 25 37  1  0  0  0  0
 26 28  1  0  0  0  0
 27 40  1  0  0  0  0
 28 30  2  0  0  0  0
 29 41  1  0  0  0  0
 29 42  1  0  0  0  0
 31 44  1  0  0  0  0
M  END

$$$$
D00QLR
  -OEChem-10101305032D

 53 55  0     1  0  0  0  0  0999 V2000
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 13 18  2  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 16  2  0  0  0  0
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 16 40  1  0  0  0  0
 17 19  2  0  0  0  0
 17 41  1  0  0  0  0
 18 20  1  0  0  0  0
 18 21  1  0  0  0  0
 19 22  1  0  0  0  0
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 20 44  1  0  0  0  0
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 21 42  1  0  0  0  0
 21 43  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 51  1  0  0  0  0
 23 52  1  0  0  0  0
 23 53  1  0  0  0  0
M  END

$$$$
D00QMQ
  -OEChem-10101305022D

 57 60  0     1  0  0  0  0  0999 V2000
    3.7320    0.0950    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.9050    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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   13.3385   -1.2097    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.9221   -0.4050    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   11.5263    0.5950    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
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   11.5263   -1.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.9248    1.0700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1278    1.0700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1 25  1  0  0  0  0
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  8 53  1  0  0  0  0
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 10 14  1  0  0  0  0
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 13 39  1  0  0  0  0
 14 20  1  0  0  0  0
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 14 41  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
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 17 20  2  0  0  0  0
 18 46  1  0  0  0  0
 18 47  1  0  0  0  0
 19 48  1  0  0  0  0
 19 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
 22 25  2  0  0  0  0
 22 26  1  0  0  0  0
 24 30  3  0  0  0  0
 25 27  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 55  1  0  0  0  0
 29 56  1  0  0  0  0
 30 57  1  0  0  0  0
M  END

$$$$
D00QMZ
  -OEChem-10101305022D

 82 83  0     1  0  0  0  0  0999 V2000
    8.0622    2.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -1.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    4.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8660   -3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    7.1962    1.0000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.5981   -0.5000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.4641   -1.0000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    8.0622    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
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 39 81  1  0  0  0  0
 39 82  1  0  0  0  0
M  END

$$$$
D00QOL
  -OEChem-10101305022D

 42 44  0     1  0  0  0  0  0999 V2000
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 18 41  1  0  0  0  0
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M  END

$$$$
D00QPG
  -OEChem-04152109182D

 36 38  0     0  0  0  0  0  0999 V2000
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 12 24  1  0  0  0  0
 13 15  1  0  0  0  0
 13 25  1  0  0  0  0
 14 16  2  0  0  0  0
 14 26  1  0  0  0  0
 15 27  1  0  0  0  0
 16 28  1  0  0  0  0
 17 18  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
 19 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

$$$$
D00QPU
  -OEChem-04152110072D

 53 56  0     1  0  0  0  0  0999 V2000
    3.4022   -1.4701    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   10.9163    2.3342    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    8.7934   -0.4211    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.6594    0.0789    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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   10.2794    2.0789    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1  3  1  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
  2 18  2  0  0  0  0
 25  3  1  1  0  0  0
  4 53  1  0  0  0  0
  7  8  1  0  0  0  0
  7 11  1  0  0  0  0
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  8 27  1  1  0  0  0
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 10 13  1  0  0  0  0
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 11 22  1  1  0  0  0
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 12 29  1  0  0  0  0
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 13 31  1  0  0  0  0
 13 32  1  0  0  0  0
 14 19  1  0  0  0  0
 14 33  1  0  0  0  0
 14 34  1  0  0  0  0
 15 20  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 23  1  0  0  0  0
 17 24  1  0  0  0  0
 17 37  1  0  0  0  0
 17 38  1  0  0  0  0
 18 19  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
 21 42  1  0  0  0  0
 21 43  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 25  1  0  0  0  0
 23 48  1  0  0  0  0
 23 49  1  0  0  0  0
 24 25  1  0  0  0  0
 24 50  1  0  0  0  0
 24 51  1  0  0  0  0
 25 52  1  0  0  0  0
M  END

$$$$
D00QSV
  -OEChem-10101305022D

 27 27  0     1  0  0  0  0  0999 V2000
    2.0000   -1.9050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.5950    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7320    0.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.5981   -0.4050    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
    4.5981   -1.4050    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
    2.0000   -2.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  9  1  0  0  0  0
  1 12  1  0  0  0  0
  2  4  1  0  0  0  0
  2 21  1  0  0  0  0
  2 22  1  0  0  0  0
  3  4  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  6  1  0  0  0  0
  4 15  1  0  0  0  0
  5  7  2  0  0  0  0
  5  8  1  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 19  1  0  0  0  0
  8 10  2  0  0  0  0
  8 20  1  0  0  0  0
  9 11  2  0  0  0  0
 10 11  1  0  0  0  0
 10 23  1  0  0  0  0
 11 24  1  0  0  0  0
 12 25  1  0  0  0  0
 12 26  1  0  0  0  0
 12 27  1  0  0  0  0
M  END

$$$$
D00QTA
          01230521192D 1   1.00000     0.00000     0

 23 25  0     0  0            999 V2000
    0.1792   -1.0917    0.0000 C   0  0  0  0  0  0           0  0  0
    0.7917   -0.7375    0.0000 C   0  0  0  0  0  0           0  0  0
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    2.6250   -1.8042    0.0000 C   0  0  0  0  0  0           0  0  0
  2  1  2  0     0  0
  3  1  1  0     0  0
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  5  2  1  0     0  0
  6  4  1  0     0  0
  7  5  2  0     0  0
  8  5  1  0     0  0
  9  3  2  0     0  0
 10 13  1  0     0  0
 11  4  2  0     0  0
 12 17  1  0     0  0
 13 18  2  0     0  0
 14 16  1  0     0  0
 15  2  1  0     0  0
 16  6  1  0     0  0
 17 14  2  0     0  0
 18 14  1  0     0  0
 19 13  1  0     0  0
 20 12  1  0     0  0
 21  8  2  0     0  0
 22  7  1  0     0  0
 23 22  2  0     0  0
  7  9  1  0     0  0
 21 23  1  0     0  0
 10 12  2  0     0  0
M  END

$$$$
D00QTU
          04191100532D 1   1.00000     0.00000     0

 29 33  0     1  0            999 V2000
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    4.7042   -9.9000    0.0000 C   0  0  0  0  0  0           0  0  0
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    2.6250   -9.5375    0.0000 C   0  0  0  0  0  0           0  0  0
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  3  1  1  0     0  0
  4  2  2  0     0  0
  5  1  1  0     0  0
  6  3  1  0     0  0
  7  3  2  0     0  0
  8 12  1  0     0  0
  9  6  2  0     0  0
 10  4  1  0     0  0
 11 15  1  0     0  0
 12  1  1  0     0  0
 13 11  1  0     0  0
 14 18  1  0     0  0
 15  8  2  0     0  0
 16  9  1  0     0  0
 17  2  1  0     0  0
 18 17  1  0     0  0
 19  5  2  0     0  0
 20 14  2  0     0  0
 10 21  1  1     0  0
 22 10  1  0     0  0
 23 13  2  0     0  0
 24 16  1  0     0  0
 25 24  2  0     0  0
 26 22  1  0     0  0
  8  6  1  0     0  0
  7  4  1  0     0  0
 11 16  2  0     0  0
 10 14  1  0     0  0
 25 23  1  0     0  0
 15 27  1  0     0  0
 27 28  1  0     0  0
  7 29  1  0     0  0
  2  5  1  0     0  0
M  END

$$$$
D00QTX
  -OEChem-10191522522D

 59 60  0     1  0  0  0  0  0999 V2000
    7.1753    2.3578    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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    6.7591   -4.1497    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.7026    3.1204    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.1808    2.4623    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.6808    3.3284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.8741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END

$$$$
D00QUJ
          11060800442D 1   1.00000     0.00000     0

 53 59  0     1  0            999 V2000
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 38 28  1  0     0  0
 28 53  2  0     0  0
M  END

$$$$
D00QUN
  -OEChem-10101305022D

 64 64  0     1  0  0  0  0  0999 V2000
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   11.5369   -3.4081    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
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  1  4  2  0  0  0  0
  1 15  1  0  0  0  0
  2 19  1  0  0  0  0
  3 23  1  0  0  0  0
  5  7  1  0  0  0  0
  6  7  2  0  0  0  0
  7 28  1  0  0  0  0
  8  9  1  0  0  0  0
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  9 31  1  0  0  0  0
  9 32  1  0  0  0  0
 10 12  1  0  0  0  0
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 15 43  1  0  0  0  0
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 16 45  1  0  0  0  0
 16 46  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 20  1  0  0  0  0
 18 49  1  0  0  0  0
 18 50  1  0  0  0  0
 19 21  1  0  0  0  0
 19 22  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
 20 54  1  0  0  0  0
 21 55  1  0  0  0  0
 21 56  1  0  0  0  0
 21 57  1  0  0  0  0
 22 58  1  0  0  0  0
 22 59  1  0  0  0  0
 22 60  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 61  1  0  0  0  0
 25 27  2  0  0  0  0
 25 62  1  0  0  0  0
 26 28  2  0  0  0  0
 26 63  1  0  0  0  0
 27 28  1  0  0  0  0
 27 64  1  0  0  0  0
M  CHG  2   5  -1   7   1
M  END

$$$$
D00QVP
  -OEChem-10101305022D

 29 32  0     0  0  0  0  0  0999 V2000
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  1  9  1  0  0  0  0
  1 10  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  7  1  0  0  0  0
  3 21  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  4  9  1  0  0  0  0
  5  8  1  0  0  0  0
  6  7  2  0  0  0  0
  6 11  1  0  0  0  0
  7 12  1  0  0  0  0
  8 10  1  0  0  0  0
  8 13  2  0  0  0  0
  9 19  1  0  0  0  0
  9 20  1  0  0  0  0
 10 15  2  0  0  0  0
 11 14  2  0  0  0  0
 11 22  1  0  0  0  0
 12 16  2  0  0  0  0
 12 23  1  0  0  0  0
 13 17  1  0  0  0  0
 13 24  1  0  0  0  0
 14 16  1  0  0  0  0
 15 18  1  0  0  0  0
 15 25  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

$$$$
D00QYH
  -OEChem-10191521402D

220224  0     1  0  0  0  0  0999 V2000
    8.8755    5.5196    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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M  END

$$$$
D00QYO
  -OEChem-10101305032D

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 20  5  1  1  0  0  0
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 10 43  1  0  0  0  0
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 22 15  1  6  0  0  0
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 20 30  1  0  0  0  0
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 25 27  1  0  0  0  0
 26 38  1  0  0  0  0
 27 28  2  0  0  0  0
 29 40  1  0  0  0  0
M  END

$$$$
D00QZA
  -OEChem-04152122322D

 50 52  0     1  0  0  0  0  0999 V2000
    7.6651    1.9957    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.9405    0.8177    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4026    1.3220    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6844    3.0799    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2137    1.3572    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0000   -1.7450    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.1980    2.7602    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   11.9209    2.9382    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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 13  3  1  6  0  0  0
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 14  4  1  1  0  0  0
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 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

$$$$
D00RAK
  -OEChem-04152108482D

 31 32  0     1  0  0  0  0  0999 V2000
    7.7953   -1.6834    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6709    0.8133    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3991   -0.1934    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 10  1  1  1  0  0  0
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 12  2  1  6  0  0  0
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 14 17  1  0  0  0  0
 16 24  1  0  0  0  0
 16 25  1  0  0  0  0
M  END

$$$$
D00RAO
  -OEChem-10101305022D

 49 51  0     1  0  0  0  0  0999 V2000
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 13  4  1  6  0  0  0
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 27 47  1  0  0  0  0
 27 48  1  0  0  0  0
 27 49  1  0  0  0  0
M  END

$$$$
D00RBV
  -OEChem-10101305022D

 34 36  0     0  0  0  0  0  0999 V2000
    2.0000   -0.7363    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  6 10  1  0  0  0  0
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 10 12  2  0  0  0  0
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 11 12  1  0  0  0  0
 13 15  1  0  0  0  0
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 14 24  1  0  0  0  0
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 20 32  1  0  0  0  0
 20 33  1  0  0  0  0
 20 34  1  0  0  0  0
M  END

$$$$
D00RCV
  -OEChem-10101305032D

 33 33  0     0  0  0  0  0  0999 V2000
    7.1962   -0.2500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603    0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 10 12  1  0  0  0  0
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 17 31  1  0  0  0  0
 17 32  1  0  0  0  0
 17 33  1  0  0  0  0
M  END

$$$$
D00RDE
  -OEChem-10101305022D

 34 35  0     0  0  0  0  0  0999 V2000
    3.7320    3.8450    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.7320    3.8450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7320    3.8450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8660   -0.6550    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8660    2.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  4 14  1  0  0  0  0
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 10 13  2  0  0  0  0
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 13 24  1  0  0  0  0
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 20 32  1  0  0  0  0
 20 33  1  0  0  0  0
 20 34  1  0  0  0  0
M  END

$$$$
D00RDS
  -OEChem-10101305032D

 43 45  0     0  0  0  0  0  0999 V2000
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 22 23  2  0  0  0  0
 22 42  1  0  0  0  0
 23 43  1  0  0  0  0
M  END

$$$$
D00RDY
  -OEChem-04152108522D

 32 34  0     1  0  0  0  0  0999 V2000
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 10  3  1  6  0  0  0
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 11  4  1  6  0  0  0
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 19 30  1  0  0  0  0
M  END

$$$$
D00REB
  -OEChem-10191521412D

 67 72  0     1  0  0  0  0  0999 V2000
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 31 67  1  0  0  0  0
 32 64  1  0  0  0  0
M  END

$$$$
D00REK
  -OEChem-10101305032D

 39 42  0     0  0  0  0  0  0999 V2000
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    6.4415    0.4280    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8640   -4.6428    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4427   -1.8972    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4445    2.1569    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3035    3.5448    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1364    2.7654    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4492   -4.9768    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0279   -2.2312    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5311   -3.7711    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1642    4.3875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  1 16  1  0  0  0  0
  2 22  1  0  0  0  0
  2 39  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3  8  1  0  0  0  0
  4  7  2  0  0  0  0
  5  6  1  0  0  0  0
  5 10  2  0  0  0  0
  6  7  1  0  0  0  0
  6 12  2  0  0  0  0
  7  9  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 15  2  0  0  0  0
 10 13  1  0  0  0  0
 10 26  1  0  0  0  0
 11 17  2  0  0  0  0
 11 18  1  0  0  0  0
 12 14  1  0  0  0  0
 12 27  1  0  0  0  0
 13 14  2  0  0  0  0
 13 28  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 19  2  0  0  0  0
 16 22  1  0  0  0  0
 17 20  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 33  1  0  0  0  0
 20 23  2  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 34  1  0  0  0  0
 22 35  1  0  0  0  0
 23 38  1  0  0  0  0
M  END

$$$$
D00REW
  -OEChem-10191521182D

 41 44  0     0  0  0  0  0  0999 V2000
    9.5678    1.7114    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.4454    2.3104    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1311    1.4339    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0405    0.5872    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.4328   -1.5596    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.3829   -0.6122    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.3923    1.3559    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.0679    0.1726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0678    0.1726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7528   -0.6122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7588    1.1236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3769    1.1236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7434    1.3559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7733   -0.4035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0632    0.7989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3624   -0.4035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0952    0.5872    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0933   -2.3104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4523   -1.7562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7578    1.7511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3912    0.0583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7805    1.9628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4138    0.2700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1085    1.2222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4592    0.6933    0.0000 C  -1  0  0  0  0  0  0  0  0  0  0  0
   12.1864   -0.8658    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9493   -0.8658    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.7012    0.7184    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3305   -1.1483    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8444   -1.8781    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5742   -2.3641    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6278   -2.7199    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5028   -2.7760    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5588   -1.9009    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1744    2.2102    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5805   -0.5321    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5912    2.5532    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9972   -0.1892    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0425    0.2342    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.1100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9183    0.2767    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
  2 13  2  0  0  0  0
  3 24  1  0  0  0  0
  3 25  1  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
  5 10  1  0  0  0  0
  5 18  1  0  0  0  0
  5 19  1  0  0  0  0
  6  9  1  0  0  0  0
  6 16  2  0  0  0  0
  7 12  2  0  0  0  0
  7 17  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
 10 14  1  0  0  0  0
 11 13  1  0  0  0  0
 14 17  2  0  0  0  0
 14 26  1  0  0  0  0
 15 20  2  0  0  0  0
 15 21  1  0  0  0  0
 16 27  1  0  0  0  0
 17 28  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
 19 29  1  0  0  0  0
 19 30  1  0  0  0  0
 19 31  1  0  0  0  0
 20 22  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 24  2  0  0  0  0
 22 37  1  0  0  0  0
 23 24  1  0  0  0  0
 23 38  1  0  0  0  0
 25 39  1  0  0  0  0
 25 40  1  0  0  0  0
 25 41  1  0  0  0  0
M  ISO  1  25  11
M  END

$$$$
D00RFY
  -OEChem-10101305032D

 34 36  0     0  0  0  0  0  0999 V2000
    7.1962    0.2704    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9446   -2.7642    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.7704    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -2.7296    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7263    0.2945    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.7704    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -1.2296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.2296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -0.2296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.2704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -1.7296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -1.2296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9561   -1.7643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9561    0.3051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.2704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.2296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8622   -0.2088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8622   -1.2504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.7704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.2704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.2704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.2704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7932   -1.5396    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9490    0.9250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    1.5804    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.8496    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3979   -1.5625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951   -0.0396    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4779   -3.0804    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2644   -0.0134    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    3.0804    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900    1.8073    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    0.9604    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100    0.7335    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 13  1  0  0  0  0
  2 29  1  0  0  0  0
  3 20  1  0  0  0  0
  3 22  1  0  0  0  0
  4 11  2  0  0  0  0
  5 17  1  0  0  0  0
  5 30  1  0  0  0  0
  6 19  1  0  0  0  0
  6 31  1  0  0  0  0
  7  9  1  0  0  0  0
  7 11  1  0  0  0  0
  7 13  2  0  0  0  0
  8 10  1  0  0  0  0
  8 12  2  0  0  0  0
  9 14  2  0  0  0  0
 10 15  2  0  0  0  0
 10 16  1  0  0  0  0
 11 12  1  0  0  0  0
 12 23  1  0  0  0  0
 13 18  1  0  0  0  0
 14 17  1  0  0  0  0
 14 24  1  0  0  0  0
 15 19  1  0  0  0  0
 15 25  1  0  0  0  0
 16 21  2  0  0  0  0
 16 26  1  0  0  0  0
 17 18  2  0  0  0  0
 18 27  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 28  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

$$$$
D00RGD
  -OEChem-10101305022D

 36 36  0     0  0  0  0  0  0999 V2000
    2.0000   -1.5600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    2.4400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    4.4400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    3.9400    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -4.5600    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.9400    0.0000 C   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
    5.4641    1.4400    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
    5.4641    2.4400    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
    6.3301    2.9400    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
    2.0000   -3.5600    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
    2.0000   -4.5600    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
    4.8101   -0.6426    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2087    0.0477    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3860    1.5226    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9875    0.8323    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5200    0.0226    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1215   -0.6677    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6762    0.8574    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0747    1.5477    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9441   -2.1426    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3426   -1.4523    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2520    3.0226    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8535    2.3323    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
    4.2690   -3.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7932    4.2500    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
    2.8660   -5.6800    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
  1 12  2  0  0  0  0
  2 13  2  0  0  0  0
  3  4  1  0  0  0  0
  3 36  1  0  0  0  0
  4 13  1  0  0  0  0
  4 33  1  0  0  0  0
  5 16  1  0  0  0  0
  5 18  2  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6 19  1  0  0  0  0
  6 20  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 10  1  0  0  0  0
  8 23  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 13  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
 14 15  1  0  0  0  0
 14 16  2  0  0  0  0
 15 17  2  0  0  0  0
 15 31  1  0  0  0  0
 16 32  1  0  0  0  0
 17 18  1  0  0  0  0
 17 34  1  0  0  0  0
 18 35  1  0  0  0  0
M  END

$$$$
D00RGL
  -OEChem-10101305022D

146153  0     1  0  0  0  0  0999 V2000
   15.0608   -2.5081    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.1288   -5.3597    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3679    0.6753    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8396   -6.5164    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1217   -0.8938    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9702   -0.0582    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9886    3.4111    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5023    5.9959    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4176    4.5255    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6649    2.1186    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3386   -3.1140    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5264    3.2962    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END

$$$$
D00RGO
  -OEChem-10191522342D

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  2 15  1  0  0  0  0
  3  4  1  0  0  0  0
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  3 15  1  0  0  0  0
  4 11  2  0  0  0  0
  5  7  1  0  0  0  0
  5 15  2  0  0  0  0
  6  7  2  0  0  0  0
  8  9  1  0  0  0  0
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 10 12  1  0  0  0  0
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 11 12  1  0  0  0  0
 13 16  1  0  0  0  0
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 14 19  1  0  0  0  0
 16 17  2  0  0  0  0
 16 20  1  0  0  0  0
 17 21  1  0  0  0  0
M  END

$$$$
D00RGP
  -OEChem-04152109032D

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 19 40  1  0  0  0  0
 20 24  1  0  0  0  0
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 23 41  1  0  0  0  0
 26 44  1  0  0  0  0
 26 45  1  0  0  0  0
 26 46  1  0  0  0  0
 27 47  1  0  0  0  0
 27 48  1  0  0  0  0
 27 49  1  0  0  0  0
 28 50  1  0  0  0  0
 28 51  1  0  0  0  0
 28 52  1  0  0  0  0
M  END

$$$$
D00RHH
  -OEChem-10191521582D

 72 75  0     1  0  0  0  0  0999 V2000
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 35 38  2  0  0  0  0
 35 70  1  0  0  0  0
 36 38  1  0  0  0  0
 36 71  1  0  0  0  0
 38 72  1  0  0  0  0
M  CHG  1   5  -1
M  END

$$$$
D00RIX
  -OEChem-10121500192D

 30 32  0     0  0  0  0  0  0999 V2000
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    6.8671   -2.0746    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3972    0.9495    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    2.4254    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331   -0.5746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    0.4254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    0.4254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    0.9254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -1.0746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -0.5746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6270   -1.1093    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6270    0.9601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5331    0.4462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5331   -0.5954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    1.9254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.4254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    2.4254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    0.9254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    1.9254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.8846    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6199    1.5800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0688   -0.9075    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6720    2.2354    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -0.1946    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    3.0454    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.6154    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1488   -2.4254    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9353    0.6416    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.1154    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 12  1  0  0  0  0
  2 28  1  0  0  0  0
  3 10  2  0  0  0  0
  4 14  1  0  0  0  0
  4 29  1  0  0  0  0
  5 20  1  0  0  0  0
  5 30  1  0  0  0  0
  6  7  1  0  0  0  0
  6 10  1  0  0  0  0
  6 12  2  0  0  0  0
  7 13  2  0  0  0  0
  8  9  1  0  0  0  0
  8 11  2  0  0  0  0
  9 16  2  0  0  0  0
  9 17  1  0  0  0  0
 10 11  1  0  0  0  0
 11 21  1  0  0  0  0
 12 15  1  0  0  0  0
 13 14  1  0  0  0  0
 13 22  1  0  0  0  0
 14 15  2  0  0  0  0
 15 23  1  0  0  0  0
 16 18  1  0  0  0  0
 16 24  1  0  0  0  0
 17 19  2  0  0  0  0
 17 25  1  0  0  0  0
 18 20  2  0  0  0  0
 18 26  1  0  0  0  0
 19 20  1  0  0  0  0
 19 27  1  0  0  0  0
M  END

$$$$
D00RJT
  -OEChem-10101305032D

  4  3  0     0  0  0  0  0  0999 V2000
    3.7320    0.7500    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.0000    0.7500    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.2500    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  2  4  1  0  0  0  0
  3  4  2  0  0  0  0
M  CHG  3   1  -1   2  -1   4   1
M  END

$$$$
D00RLE
  -OEChem-10101305022D

 33 35  0     0  0  0  0  0  0999 V2000
    2.0000   -3.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    3.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.0000    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
    6.3301    1.5000    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
    5.4641    2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2241   -0.0347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2241    2.0347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1301    0.4792    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   -2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1301    1.5208    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
    2.8660   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.0000    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
    5.6762   -1.5826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0747   -0.8923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2169   -0.6546    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2169    2.6546    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6659    0.1671    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.3800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -2.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6659    1.8329    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0420    2.5369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951    2.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4220    1.4631    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -1.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 20  1  0  0  0  0
  2 10  2  0  0  0  0
  3  4  1  0  0  0  0
  3 10  1  0  0  0  0
  3 17  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6 11  2  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 10  1  0  0  0  0
  8 12  2  0  0  0  0
  9 14  2  0  0  0  0
  9 15  1  0  0  0  0
 11 13  1  0  0  0  0
 11 23  1  0  0  0  0
 12 16  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 18  1  0  0  0  0
 14 26  1  0  0  0  0
 15 19  2  0  0  0  0
 15 27  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
 18 20  2  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
M  END

$$$$
D00RLO
  -OEChem-10101305022D

  1  0  0     0  0  0  0  0  0999 V2000
    2.0000    0.0000    0.0000 Br  0  5  0  0  0  0  0  0  0  0  0  0
M  CHG  1   1  -1
M  END

$$$$
D00RNA
  -OEChem-10101305022D

 28 29  0     0  0  0  0  0  0999 V2000
    5.4641    2.7927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.7927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.2073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.2073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.7073    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.7927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.2073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    1.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.7927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    2.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2241    0.7580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2241    2.8273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.7073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1301    1.2718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1301    2.3135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5200    1.3753    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1215    0.6850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9441   -0.7899    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3426   -0.0997    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.1727    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2169    0.1380    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2169    3.4473    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6659    0.9598    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6659    2.6256    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -2.0173    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.8273    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
  2 12  2  0  0  0  0
  3 15  2  0  0  0  0
  4  5  1  0  0  0  0
  4 28  1  0  0  0  0
  5 15  1  0  0  0  0
  5 27  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6 18  1  0  0  0  0
  6 19  1  0  0  0  0
  7 10  2  0  0  0  0
  7 12  1  0  0  0  0
  8 15  1  0  0  0  0
  8 20  1  0  0  0  0
  8 21  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 13  2  0  0  0  0
 10 22  1  0  0  0  0
 11 14  2  0  0  0  0
 13 16  1  0  0  0  0
 13 23  1  0  0  0  0
 14 17  1  0  0  0  0
 14 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
M  END

$$$$
D00RNZ
  -OEChem-10101305032D

 31 33  0     0  0  0  0  0  0999 V2000
    5.4641   -0.2673    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9561   -0.3020    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7263   -0.2915    0.0000 O   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
    8.0622    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
    4.5981    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
    3.7320   -0.2673    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
    6.3301    1.2327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9561    1.7673    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
    9.8622    1.2535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8622    0.2119    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
    4.9966    0.7076    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1996    0.7076    0.0000 H   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
    7.1962    2.3527    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
    8.9490    2.3873    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
   10.3979    1.5656    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
  1  6  1  0  0  0  0
  1  7  1  0  0  0  0
  2  5  1  0  0  0  0
  2 16  1  0  0  0  0
  3 16  2  0  0  0  0
  4  5  2  0  0  0  0
  4 10  1  0  0  0  0
  4 12  1  0  0  0  0
  5  8  1  0  0  0  0
  6  8  2  0  0  0  0
  6 11  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 22  1  0  0  0  0
  9 13  2  0  0  0  0
  9 14  1  0  0  0  0
 10 11  2  0  0  0  0
 10 23  1  0  0  0  0
 11 24  1  0  0  0  0
 12 15  2  0  0  0  0
 12 25  1  0  0  0  0
 13 17  1  0  0  0  0
 13 26  1  0  0  0  0
 14 18  2  0  0  0  0
 14 27  1  0  0  0  0
 15 16  1  0  0  0  0
 15 28  1  0  0  0  0
 17 19  2  0  0  0  0
 17 29  1  0  0  0  0
 18 19  1  0  0  0  0
 18 30  1  0  0  0  0
 19 31  1  0  0  0  0
M  END

$$$$
D00RQQ
          04091100382D 1   1.00000     0.00000     0

 27 28  0     0  0            999 V2000
    5.2745   -1.1310    0.0000 C   0  0  3  0  0  0           0  0  0
    4.7078   -0.8185    0.0000 C   0  0  0  0  0  0           0  0  0
    4.0495   -1.1310    0.0000 C   0  0  0  0  0  0           0  0  0
    3.4370   -0.7769    0.0000 C   0  0  0  0  0  0           0  0  0
    2.2111   -0.0666    0.0000 C   0  0  0  0  0  0           0  0  0
    2.2099   -0.7773    0.0000 C   0  0  0  0  0  0           0  0  0
    2.8247   -1.1319    0.0000 C   0  0  0  0  0  0           0  0  0
    3.4341   -0.0630    0.0000 C   0  0  0  0  0  0           0  0  0
    2.8229    0.2878    0.0000 C   0  0  0  0  0  0           0  0  0
    5.2689   -1.8415    0.0000 C   0  0  0  0  0  0           0  0  0
    5.8779   -2.1956    0.0000 C   0  0  0  0  0  0           0  0  0
    6.4929   -1.8453    0.0000 N   0  0  3  0  0  0           0  0  0
    6.4951   -1.1369    0.0000 C   0  0  0  0  0  0           0  0  0
    5.8822   -0.7789    0.0000 C   0  0  0  0  0  0           0  0  0
    7.1048   -2.2022    0.0000 C   0  0  0  0  0  0           0  0  0
    7.1016   -2.9105    0.0000 O   0  0  0  0  0  0           0  0  0
    7.7198   -1.8507    0.0000 C   0  0  0  0  0  0           0  0  0
    8.3316   -2.2076    0.0000 N   0  0  3  0  0  0           0  0  0
    8.3245   -2.9135    0.0000 C   0  0  0  0  0  0           0  0  0
    8.9328   -3.2703    0.0000 C   0  0  0  0  0  0           0  0  0
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    8.9425   -1.8520    0.0000 C   0  0  0  0  0  0           0  0  0
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    4.0464    0.2932    0.0000 C   0  0  0  0  0  0           0  0  0
    7.4292   -0.5333    0.0000 H   0  0  0  0  0  0           0  0  0
    8.1375   -0.5333    0.0000 Br  0  0  0  0  0  0           0  0  0
 10 11  1  0     0  0
 11 12  1  0     0  0
 12 13  1  0     0  0
 13 14  1  0     0  0
  7  4  2  0     0  0
 12 15  1  0     0  0
 15 16  2  0     0  0
  4  8  1  0     0  0
 15 17  1  0     0  0
  3  4  1  0     0  0
 17 18  1  0     0  0
 18 19  1  0     0  0
  8  9  2  0     0  0
  9  5  1  0     0  0
  1 10  1  0     0  0
  1  2  1  0     0  0
 18 23  1  0     0  0
 19 20  1  0     0  0
 20 21  1  0     0  0
 21 22  1  0     0  0
 22 23  1  0     0  0
  5  6  2  0     0  0
  7 24  1  0     0  0
  2  3  2  0     0  0
  8 25  1  0     0  0
  6  7  1  0     0  0
  1 14  1  0     0  0
 26 27  1  0     0  0
M  END

$$$$
D00RRV
  -OEChem-10101305032D

 26 28  0     0  0  0  0  0  0999 V2000
    5.9674    1.2213    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783   -1.5449    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3701    2.0279    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7320   -0.2401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7320   -1.2401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2619   -0.7401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.2599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.7401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.2401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.9684    1.6348    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    5.8819   -0.7401    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8709   -2.1342    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    8.1423    0.7963    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
  1 14  1  0  0  0  0
  2  7  1  0  0  0  0
  2  8  1  0  0  0  0
  2 19  1  0  0  0  0
  3 14  2  0  0  0  0
  3 15  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  7  1  0  0  0  0
  5  9  2  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
  8 18  1  0  0  0  0
  9 11  1  0  0  0  0
  9 20  1  0  0  0  0
 10 13  1  0  0  0  0
 10 21  1  0  0  0  0
 11 13  2  0  0  0  0
 11 23  1  0  0  0  0
 12 15  2  0  0  0  0
 12 22  1  0  0  0  0
 13 24  1  0  0  0  0
 14 25  1  0  0  0  0
 15 26  1  0  0  0  0
M  END

$$$$
D00RST
  -OEChem-10101305032D

 60 62  0     0  0  0  0  0  0999 V2000
    5.4050   -2.8199    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1 15  2  0  0  0  0
  2 21  1  0  0  0  0
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  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 32  1  0  0  0  0
 11 33  1  0  0  0  0
 12 36  1  0  0  0  0
 12 37  1  0  0  0  0
 13 34  1  0  0  0  0
 13 35  1  0  0  0  0
 14 38  1  0  0  0  0
 14 39  1  0  0  0  0
 16 17  1  0  0  0  0
 16 42  1  0  0  0  0
 16 43  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 19  1  0  0  0  0
 18 46  1  0  0  0  0
 18 47  1  0  0  0  0
 19 20  1  0  0  0  0
 19 48  1  0  0  0  0
 19 49  1  0  0  0  0
 20 21  1  0  0  0  0
 20 50  1  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
 22 23  1  0  0  0  0
 22 54  1  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
 23 57  1  0  0  0  0
 24 58  1  0  0  0  0
 24 59  1  0  0  0  0
 24 60  1  0  0  0  0
M  END

$$$$
D00RTM
  -OEChem-10101305032D

 33 34  0     0  0  0  0  0  0999 V2000
    7.2566    1.7809    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783   -2.1421    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9889    0.4179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9674    0.6241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783   -0.5326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2781    1.5747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.8373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.8373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2619   -1.3373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.3373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.3373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5673    2.7314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9244    1.0366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.8373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.8373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9684    1.0376    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3751    0.5053    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9880    0.0045    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    6.2575    2.1943    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6643    1.6620    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8819   -1.3373    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8709   -2.7314    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.2827    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.9573    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1566    2.5388    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4630    0.6225    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    1.4631   -2.1473    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
  1 13  1  0  0  0  0
  2  8  1  0  0  0  0
  2  9  1  0  0  0  0
  2 23  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3 16  1  0  0  0  0
  3 17  1  0  0  0  0
  4  6  1  0  0  0  0
  4 18  1  0  0  0  0
  4 19  1  0  0  0  0
  5  7  1  0  0  0  0
  5  9  2  0  0  0  0
  6 20  1  0  0  0  0
  6 21  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
  9 22  1  0  0  0  0
 10 14  1  0  0  0  0
 10 24  1  0  0  0  0
 11 15  1  0  0  0  0
 11 25  1  0  0  0  0
 12 26  1  0  0  0  0
 12 30  1  0  0  0  0
 12 31  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 15  2  0  0  0  0
 14 32  1  0  0  0  0
 15 33  1  0  0  0  0
M  END

$$$$
D00RUN
  -OEChem-10101305022D

 35 35  0     0  0  0  0  0  0999 V2000
    2.8090   -0.4594    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3090    1.0794    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.8596   -0.0785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9086    0.2306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8107   -0.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1686    0.8726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2144   -0.1296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5691   -0.1807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3122    0.4885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 15 35  1  0  0  0  0
M  END

$$$$
D00RWP
  -OEChem-04152109582D

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223426  1  0  0  0  0
224427  1  0  0  0  0
M  END

$$$$
D00RXS
  -OEChem-10101305022D

 35 37  0     1  0  0  0  0  0999 V2000
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    4.2690   -3.8284    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 16 27  1  0  0  0  0
 16 28  1  0  0  0  0
 17 29  1  0  0  0  0
 18 19  1  0  0  0  0
M  END

$$$$
D00RZN
  -OEChem-10101305022D

 49 51  0     1  0  0  0  0  0999 V2000
    6.8671   -0.5746    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    8.6155   -3.6092    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3972   -0.5505    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    5.1350   -0.5746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  7  1  0  0  0  0
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 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 19  2  0  0  0  0
 12 20  2  0  0  0  0
 13 14  1  0  0  0  0
 13 31  1  0  0  0  0
 14 17  2  0  0  0  0
 14 18  1  0  0  0  0
 15 16  2  0  0  0  0
 15 32  1  0  0  0  0
 16 17  1  0  0  0  0
 18 23  1  0  0  0  0
 18 33  1  0  0  0  0
 18 34  1  0  0  0  0
 19 22  1  0  0  0  0
 20 21  1  0  0  0  0
 20 35  1  0  0  0  0
 21 22  2  0  0  0  0
 22 36  1  0  0  0  0
 23 24  2  0  0  0  0
 23 37  1  0  0  0  0
 24 25  1  0  0  0  0
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 25 40  1  0  0  0  0
 25 41  1  0  0  0  0
 25 42  1  0  0  0  0
 26 43  1  0  0  0  0
 26 44  1  0  0  0  0
 26 45  1  0  0  0  0
 27 46  1  0  0  0  0
 27 47  1  0  0  0  0
 27 48  1  0  0  0  0
M  END

$$$$
D00SAA
  -OEChem-10101305022D

 27 28  0     0  0  0  0  0  0999 V2000
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    4.5981   -2.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7320    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
    5.4641    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7320   -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    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
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    7.2641    0.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641   -0.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  8  2  0  0  0  0
  2 11  2  0  0  0  0
  3  4  1  0  0  0  0
  3  9  1  0  0  0  0
  3 10  1  0  0  0  0
  3 16  1  0  0  0  0
  4  5  2  0  0  0  0
  4  8  1  0  0  0  0
  5  6  1  0  0  0  0
  5 17  1  0  0  0  0
  6  7  1  0  0  0  0
  6 12  2  0  0  0  0
  7 11  1  0  0  0  0
  7 13  2  0  0  0  0
  8 11  1  0  0  0  0
  9 20  1  0  0  0  0
  9 21  1  0  0  0  0
  9 22  1  0  0  0  0
 10 18  1  0  0  0  0
 10 19  1  0  0  0  0
 10 23  1  0  0  0  0
 12 14  1  0  0  0  0
 12 24  1  0  0  0  0
 13 15  1  0  0  0  0
 13 25  1  0  0  0  0
 14 15  2  0  0  0  0
 14 26  1  0  0  0  0
 15 27  1  0  0  0  0
M  END

$$$$
D00SAB
  -OEChem-10101305022D

 29 31  0     0  0  0  0  0  0999 V2000
    5.4641    1.2327    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0901   -0.3020    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  1  4  2  0  0  0  0
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  2  5  1  0  0  0  0
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  3  4  1  0  0  0  0
  3  8  1  0  0  0  0
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  4  7  1  0  0  0  0
  5  6  1  0  0  0  0
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  8  9  2  0  0  0  0
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 10 13  1  0  0  0  0
 10 20  1  0  0  0  0
 11 21  1  0  0  0  0
 12 13  2  0  0  0  0
 12 22  1  0  0  0  0
 13 23  1  0  0  0  0
 14 16  2  0  0  0  0
 14 24  1  0  0  0  0
 15 25  1  0  0  0  0
 15 26  1  0  0  0  0
 15 27  1  0  0  0  0
 16 17  1  0  0  0  0
 16 28  1  0  0  0  0
 17 29  1  0  0  0  0
M  END

$$$$
D00SBX
  -OEChem-04061902322D

 32 33  0     0  0  0  0  0  0999 V2000
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    5.1350    3.6900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    5.1350   -2.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -2.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -2.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    0.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.2690    3.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1 18  1  0  0  0  0
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  3 11  1  0  0  0  0
  3 30  1  0  0  0  0
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  4 31  1  0  0  0  0
  5 21  1  0  0  0  0
  5 32  1  0  0  0  0
  6 21  2  0  0  0  0
  7  8  1  0  0  0  0
  7 10  1  0  0  0  0
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  8 22  1  0  0  0  0
  8 23  1  0  0  0  0
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 10 13  2  0  0  0  0
 10 14  1  0  0  0  0
 11 18  2  0  0  0  0
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 12 25  1  0  0  0  0
 13 15  1  0  0  0  0
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 15 16  2  0  0  0  0
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 16 21  1  0  0  0  0
 17 28  1  0  0  0  0
 18 20  1  0  0  0  0
 19 20  2  0  0  0  0
 20 29  1  0  0  0  0
M  END

$$$$
D00SCI
  -OEChem-10191522242D

 50 53  0     0  0  0  0  0  0999 V2000
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 24 49  1  0  0  0  0
 25 45  1  0  0  0  0
 25 48  1  0  0  0  0
 25 50  1  0  0  0  0
M  END

$$$$
D00SDJ
  -OEChem-10101305022D

 71 74  0     0  0  0  0  0  0999 V2000
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 36 37  2  0  0  0  0
 36 70  1  0  0  0  0
 37 71  1  0  0  0  0
M  END

$$$$
D00SDP
  -OEChem-10101305022D

 60 65  0     1  0  0  0  0  0999 V2000
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   10.5216   -1.3682    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1145   -0.6816    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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 16 20  1  0  0  0  0
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 18 48  1  0  0  0  0
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 25 27  2  0  0  0  0
 25 57  1  0  0  0  0
 26 28  2  0  0  0  0
 26 58  1  0  0  0  0
 27 28  1  0  0  0  0
 27 59  1  0  0  0  0
 28 60  1  0  0  0  0
M  END

$$$$
D00SDQ
  -OEChem-10191522012D

 41 43  0     1  0  0  0  0  0999 V2000
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 23 40  1  0  0  0  0
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 24 41  1  0  0  0  0
M  END

$$$$
D00SEC
  -OEChem-10191521382D

 40 42  0     0  0  0  0  0  0999 V2000
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 19 37  1  0  0  0  0
 21 38  1  0  0  0  0
 21 39  1  0  0  0  0
 21 40  1  0  0  0  0
M  END

$$$$
D00SEE
  -OEChem-10101305022D

 35 35  0     0  0  0  0  0  0999 V2000
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 15 34  1  0  0  0  0
 16 35  1  0  0  0  0
M  END

$$$$
D00SGZ
  -OEChem-10191522512D

 83 88  0     0  0  0  0  0  0999 V2000
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 44 80  1  0  0  0  0
 45 81  1  0  0  0  0
 45 82  1  0  0  0  0
 45 83  1  0  0  0  0
M  END

$$$$
D00SHX
  -OEChem-10101305022D

 39 40  0     0  0  0  0  0  0999 V2000
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 16 37  1  0  0  0  0
 16 38  1  0  0  0  0
 16 39  1  0  0  0  0
M  END

$$$$
D00SJT
  -OEChem-10101305022D

 17 17  0     0  0  0  0  0  0999 V2000
    3.0000    1.3450    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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  1  3  2  0  0  0  0
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  1  5  1  0  0  0  0
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  2 11  1  0  0  0  0
  5 16  1  0  0  0  0
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  8 10  2  0  0  0  0
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 10 11  1  0  0  0  0
 10 15  1  0  0  0  0
M  END

$$$$
D00SKS
          05020700212D 1   1.00000     0.00000     0

 51 54  0     0  0            999 V2000
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 10  9  1  0     0  0
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 36 10  1  0     0  0
 16 19  1  6     0  0
 10 37  1  0     0  0
 37 38  1  0     0  0
 19 20  1  0     0  0
 38 39  1  0     0  0
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  9 40  1  0     0  0
 20 21  2  0     0  0
 40 41  1  0     0  0
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 14 42  1  1     0  0
 20 22  1  0     0  0
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 26  3  1  0     0  0
 26  7  1  0     0  0
 11 12  1  0     0  0
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 22 23  1  0     0  0
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 23 24  1  0     0  0
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 13 15  1  0     0  0
 47 48  1  0     0  0
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 49 44  1  0     0  0
 14 15  1  0     0  0
 47 50  1  0     0  0
 25 26  1  0     0  0
 50 51  1  0     0  0
M  END

$$$$
D00SLE
  -OEChem-10101305022D

 30 32  0     0  0  0  0  0  0999 V2000
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  7  8  1  0  0  0  0
  7 12  2  0  0  0  0
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 10 15  1  0  0  0  0
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 11 16  2  0  0  0  0
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 15 25  1  0  0  0  0
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 16 26  1  0  0  0  0
 18 19  1  0  0  0  0
 18 27  1  0  0  0  0
 19 28  1  0  0  0  0
M  END

$$$$
D00SLJ
  -OEChem-10101305022D

 43 44  0     0  0  0  0  0  0999 V2000
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 20 39  1  0  0  0  0
 21 38  1  0  0  0  0
 22 23  1  0  0  0  0
 22 40  1  0  0  0  0
 22 41  1  0  0  0  0
M  END

$$$$
D00SLR
  -OEChem-10101305022D

 60 62  0     0  0  0  0  0  0999 V2000
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 26 41  1  0  0  0  0
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 29 56  1  0  0  0  0
 29 57  1  0  0  0  0
 29 58  1  0  0  0  0
 30 53  1  0  0  0  0
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 30 55  1  0  0  0  0
 31 52  1  0  0  0  0
 31 59  1  0  0  0  0
 31 60  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
M  END

$$$$
D00SNJ
  -OEChem-10101305022D

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  3  4  1  0  0  0  0
  3 12  1  0  0  0  0
  3 38  1  0  0  0  0
  4  5  1  0  0  0  0
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 19 47  1  0  0  0  0
 20 23  1  0  0  0  0
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 21 25  2  0  0  0  0
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 22 48  1  0  0  0  0
 23 24  2  0  0  0  0
 23 49  1  0  0  0  0
 24 50  1  0  0  0  0
 25 27  1  0  0  0  0
 25 51  1  0  0  0  0
 26 27  2  0  0  0  0
 26 52  1  0  0  0  0
 27 53  1  0  0  0  0
M  END

$$$$
D00SNO
  -OEChem-10101305022D

 41 44  0     0  0  0  0  0  0999 V2000
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    4.5690   -0.5206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1950   -2.0553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1 12  2  0  0  0  0
  2  6  1  0  0  0  0
  2  9  1  0  0  0  0
  2 15  1  0  0  0  0
  3  8  1  0  0  0  0
  3 14  1  0  0  0  0
  3 24  1  0  0  0  0
  4 10  1  0  0  0  0
  4 15  2  0  0  0  0
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  5 22  1  0  0  0  0
  5 23  1  0  0  0  0
  6  7  1  0  0  0  0
  6 10  2  0  0  0  0
  7  8  2  0  0  0  0
  7 12  1  0  0  0  0
  8 13  1  0  0  0  0
  9 11  1  0  0  0  0
  9 18  2  0  0  0  0
 10 16  1  0  0  0  0
 11 12  1  0  0  0  0
 11 19  2  0  0  0  0
 13 16  2  0  0  0  0
 13 27  1  0  0  0  0
 14 17  1  0  0  0  0
 14 25  1  0  0  0  0
 14 26  1  0  0  0  0
 15 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
 18 20  1  0  0  0  0
 18 32  1  0  0  0  0
 19 21  1  0  0  0  0
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 22 41  1  0  0  0  0
 23 37  1  0  0  0  0
 23 38  1  0  0  0  0
 23 39  1  0  0  0  0
M  END

$$$$
D00SOE
  -OEChem-10101305022D

216216  0     1  0  0  0  0  0999 V2000
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M  END

$$$$
D00SOM
  -OEChem-10101305022D

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 10 20  1  0  0  0  0
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 11 28  1  0  0  0  0
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 13 15  1  0  0  0  0
 13 33  1  0  0  0  0
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 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
M  END

$$$$
D00SRM
  -OEChem-10101305022D

 37 41  0     0  0  0  0  0  0999 V2000
    8.2730    2.2746    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6532   -1.2568    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1772    0.7778    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 17 27  1  0  0  0  0
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 23 34  1  0  0  0  0
 24 25  2  0  0  0  0
 24 35  1  0  0  0  0
 25 36  1  0  0  0  0
M  END

$$$$
D00SRS
  -OEChem-04152109542D

 49 51  0     1  0  0  0  0  0999 V2000
    7.8055    1.6854    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2682   -2.1436    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8810   -0.1158    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3190    3.3565    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9704   -3.3565    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3728    0.6502    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5802    1.5899    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3658   -0.8082    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.8658    0.0578    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0394    1.0426    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8055    1.6854    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.3055   -1.1502    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    7.5258    2.3781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.3124   -2.4168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 22 40  1  0  0  0  0
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 26 27  1  0  0  0  0
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 27 47  1  0  0  0  0
 27 48  1  0  0  0  0
 27 49  1  0  0  0  0
M  END

$$$$
D00SSW
  -OEChem-10101305032D

 25 26  0     0  0  0  0  0  0999 V2000
    3.4030    1.2220    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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  1  3  1  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
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  2 22  1  0  0  0  0
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 10 17  1  0  0  0  0
 11 12  1  0  0  0  0
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 13 15  2  0  0  0  0
 13 19  1  0  0  0  0
 14 16  2  0  0  0  0
 14 20  1  0  0  0  0
 15 16  1  0  0  0  0
 16 21  1  0  0  0  0
M  END

$$$$
D00SXO
  -OEChem-10101305022D

 33 36  0     0  0  0  0  0  0999 V2000
    6.2781   -1.3282    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4121   -2.8282    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.0162   -0.8281    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5460   -0.3281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5460   -1.3282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  9  1  0  0  0  0
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  2 11  2  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
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 10 15  2  0  0  0  0
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 13 25  1  0  0  0  0
 14 18  1  0  0  0  0
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 15 27  1  0  0  0  0
 16 20  2  0  0  0  0
 16 28  1  0  0  0  0
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 18 30  1  0  0  0  0
 19 21  2  0  0  0  0
 19 31  1  0  0  0  0
 20 21  1  0  0  0  0
 20 32  1  0  0  0  0
 21 33  1  0  0  0  0
M  END

$$$$
D00TBD
  -OEChem-10121500412D

 77 82  0     1  0  0  0  0  0999 V2000
    2.8660   -0.2313    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -3.2313    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.7313    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   12.0633    1.7303    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5920   -2.7313    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9641   -2.5974    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9641   -0.8653    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3484    0.5691    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.8000    2.8180    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.0396   -1.4403    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.0084   -3.5361    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.0927    1.2369    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    2.0000   -2.7313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5143    1.4601    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   15.5472    0.5428    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   15.3648   -0.3082    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   13.8814   -0.9518    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.4973    1.9414    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.2869    2.1964    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.6738    4.4247    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.1850    3.7543    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.7997    2.8997    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.8011    3.7294    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.2907    4.4345    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.5021    4.6922    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9737   -2.0568    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7449    1.3189    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1 39  1  0  0  0  0
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  3  6  2  0  0  0  0
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 30 31  2  0  0  0  0
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 35 71  1  0  0  0  0
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 41 75  1  0  0  0  0
 42 43  1  0  0  0  0
 42 76  1  0  0  0  0
 43 77  1  0  0  0  0
M  END

$$$$
D00TBG
  -OEChem-10191521592D

 58 60  0     1  0  0  0  0  0999 V2000
   12.4370    4.3874    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    9.5858   -4.3874    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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    8.3384    3.1261    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8477    0.4200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2115    1.1669    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    3.4031    1.8281    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9203    1.2895    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9888   -1.5774    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    8.1829   -3.1974    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9888   -3.1975    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 32  1  0  0  0  0
  2 33  1  0  0  0  0
 13  3  1  1  0  0  0
  3 53  1  0  0  0  0
 18  4  1  1  0  0  0
  4 54  1  0  0  0  0
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  6 31  2  0  0  0  0
  7  9  1  0  0  0  0
  7 12  1  0  0  0  0
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 10 16  1  0  0  0  0
 10 17  1  0  0  0  0
 10 34  1  0  0  0  0
 11 20  1  0  0  0  0
 12 21  1  0  0  0  0
 13 14  1  0  0  0  0
 13 19  1  0  0  0  0
 13 35  1  0  0  0  0
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 15 38  1  0  0  0  0
 16 39  1  0  0  0  0
 16 40  1  0  0  0  0
 16 44  1  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 22  1  0  0  0  0
 18 45  1  0  0  0  0
 19 46  1  0  0  0  0
 20 23  2  0  0  0  0
 20 24  1  0  0  0  0
 21 25  2  0  0  0  0
 21 26  1  0  0  0  0
 22 31  1  0  0  0  0
 22 47  1  0  0  0  0
 22 48  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 29  1  0  0  0  0
 25 51  1  0  0  0  0
 26 30  2  0  0  0  0
 26 52  1  0  0  0  0
 27 32  2  0  0  0  0
 27 55  1  0  0  0  0
 28 32  1  0  0  0  0
 28 56  1  0  0  0  0
 29 33  2  0  0  0  0
 29 57  1  0  0  0  0
 30 33  1  0  0  0  0
 30 58  1  0  0  0  0
M  CHG  1   5  -1
M  END

$$$$
D00TBJ
          10280900342D 1   1.00000     0.00000     0

 27 29  0     0  0            999 V2000
    7.4776   -5.7300    0.0000 C   0  0  0  0  0  0           0  0  0
    8.0910   -6.0842    0.0000 C   0  0  0  0  0  0           0  0  0
    4.4953   -6.7949    0.0000 C   0  0  0  0  0  0           0  0  0
    5.1073   -7.1489    0.0000 C   0  0  0  0  0  0           0  0  0
    5.7192   -6.7933    0.0000 C   0  0  0  0  0  0           0  0  0
    5.7172   -6.0842    0.0000 C   0  0  0  0  0  0           0  0  0
    5.0983   -5.7322    0.0000 C   0  0  0  0  0  0           0  0  0
    4.4890   -6.0898    0.0000 C   0  0  0  0  0  0           0  0  0
    6.3307   -5.7300    0.0000 C   0  0  0  0  0  0           0  0  0
    6.9041   -6.1458    0.0000 N   0  0  3  0  0  0           0  0  0
    7.2583   -5.0542    0.0000 N   0  0  0  0  0  0           0  0  0
    6.5500   -5.0542    0.0000 N   0  0  0  0  0  0           0  0  0
    6.9000   -6.8500    0.0000 C   0  0  0  0  0  0           0  0  0
    6.2861   -7.1969    0.0000 C   0  0  0  0  0  0           0  0  0
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    6.8898   -8.2569    0.0000 C   0  0  0  0  0  0           0  0  0
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    7.5053   -7.2022    0.0000 C   0  0  0  0  0  0           0  0  0
    3.8852   -7.1511    0.0000 O   0  0  0  0  0  0           0  0  0
    6.8866   -8.9652    0.0000 O   0  0  0  0  0  0           0  0  0
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    9.9314   -5.7301    0.0000 C   0  0  0  0  0  0           0  0  0
    3.8728   -5.7405    0.0000 C   0  0  0  0  0  0           0  0  0
    3.2701   -6.7999    0.0000 C   0  0  0  0  0  0           0  0  0
    2.6584   -7.1570    0.0000 C   0  0  0  0  0  0           0  0  0
  4  5  1  0     0  0
 16 17  1  0     0  0
  6  9  1  0     0  0
 17 18  2  0     0  0
 18 13  1  0     0  0
 12  9  2  0     0  0
  1  2  1  0     0  0
  1 11  2  0     0  0
  5  6  2  0     0  0
  3  4  2  0     0  0
 10  1  1  0     0  0
  3 19  1  0     0  0
 11 12  1  0     0  0
  9 10  1  0     0  0
  6  7  1  0     0  0
 16 20  1  0     0  0
 10 13  1  0     0  0
 20 21  1  0     0  0
  2 22  1  0     0  0
 13 14  2  0     0  0
 22 23  1  0     0  0
  7  8  2  0     0  0
 23 24  1  0     0  0
 14 15  1  0     0  0
  8 25  1  0     0  0
  8  3  1  0     0  0
 19 26  1  0     0  0
 15 16  2  0     0  0
 26 27  1  0     0  0
M  END

$$$$
D00TDJ
  -OEChem-10101305022D

 28 29  0     0  0  0  0  0  0999 V2000
    7.8133   -0.6147    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -0.3100    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.8133    0.9947    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    1.1900    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.3969    0.1900    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    1.1900    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    0.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -0.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    0.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    1.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -0.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -0.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3969    0.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    0.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.5369   -1.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    1.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.5981   -0.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    1.9264   -0.9177    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9169   -1.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -2.4300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1569   -1.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0000    0.8800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    1.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
  1 13  1  0  0  0  0
  2 14  1  0  0  0  0
  2 15  1  0  0  0  0
  3  7  1  0  0  0  0
  3 13  2  0  0  0  0
  4  9  1  0  0  0  0
  4 14  2  0  0  0  0
  5 13  1  0  0  0  0
  5 25  1  0  0  0  0
  5 26  1  0  0  0  0
  6 14  1  0  0  0  0
  6 27  1  0  0  0  0
  6 28  1  0  0  0  0
  7  8  2  0  0  0  0
  7 10  1  0  0  0  0
  8 11  1  0  0  0  0
  9 10  2  0  0  0  0
  9 12  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 19  1  0  0  0  0
 15 16  1  0  0  0  0
 15 20  1  0  0  0  0
 15 21  1  0  0  0  0
 16 22  1  0  0  0  0
 16 23  1  0  0  0  0
 16 24  1  0  0  0  0
M  END

$$$$
D00TEI
  -OEChem-10191521502D

 46 47  0     0  0  0  0  0  0999 V2000
    8.0622    3.0950    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    1.5950    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    4.0950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0622    3.0950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942    1.0950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4282    2.4610    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0622    3.0950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4282    0.7290    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.9050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    1.5950    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    0.0950    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    7.1962    0.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -1.4050    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
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  1  3  1  0  0  0  0
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  3 35  1  0  0  0  0
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 10 12  1  0  0  0  0
 10 13  1  0  0  0  0
 10 28  1  0  0  0  0
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 11 22  1  0  0  0  0
 12 27  1  0  0  0  0
 13 15  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
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 15 29  1  0  0  0  0
 16 18  2  0  0  0  0
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 17 22  2  0  0  0  0
 17 30  1  0  0  0  0
 18 23  1  0  0  0  0
 18 31  1  0  0  0  0
 19 24  2  0  0  0  0
 19 32  1  0  0  0  0
 20 23  2  0  0  0  0
 20 24  1  0  0  0  0
 21 25  1  0  0  0  0
 21 26  1  0  0  0  0
 21 33  1  0  0  0  0
 22 34  1  0  0  0  0
 23 39  1  0  0  0  0
 24 40  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
 26 41  1  0  0  0  0
 26 42  1  0  0  0  0
 26 43  1  0  0  0  0
M  END

$$$$
D00TFA
  -OEChem-10191522122D

 81 83  0     0  0  0  0  0  0999 V2000
    6.3301    4.0950    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.4050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    6.0950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    4.5950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    8.0622   -5.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.7942   -4.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 34 78  1  0  0  0  0
 34 79  1  0  0  0  0
 34 80  1  0  0  0  0
M  END

$$$$
D00TGC
  -OEChem-10191522302D

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 21 40  1  0  0  0  0
M  END

$$$$
D00TIO
  -OEChem-10191521582D

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    9.1742   -3.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   10.4142   -3.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9703   -2.5369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   10.3503   -1.4631    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951    2.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1 29  1  0  0  0  0
  2  6  1  0  0  0  0
  2 18  1  0  0  0  0
  3  9  1  0  0  0  0
  3 12  1  0  0  0  0
  8  4  1  6  0  0  0
  4 54  1  0  0  0  0
  5 18  2  0  0  0  0
  6  7  1  0  0  0  0
  6  9  1  0  0  0  0
  6 30  1  0  0  0  0
  7  8  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
  9 34  1  0  0  0  0
  9 35  1  0  0  0  0
 10 12  1  0  0  0  0
 10 13  1  0  0  0  0
 10 17  2  0  0  0  0
 11 18  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
 13 20  1  0  0  0  0
 13 21  1  0  0  0  0
 13 38  1  0  0  0  0
 14 16  1  0  0  0  0
 14 17  1  0  0  0  0
 14 19  2  0  0  0  0
 15 19  1  0  0  0  0
 15 22  1  0  0  0  0
 16 23  1  0  0  0  0
 16 24  1  0  0  0  0
 16 39  1  0  0  0  0
 17 40  1  0  0  0  0
 19 41  1  0  0  0  0
 20 42  1  0  0  0  0
 20 43  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 25  2  0  0  0  0
 22 26  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
 24 53  1  0  0  0  0
 25 27  1  0  0  0  0
 25 55  1  0  0  0  0
 26 28  2  0  0  0  0
 26 56  1  0  0  0  0
 27 29  2  0  0  0  0
 27 57  1  0  0  0  0
 28 29  1  0  0  0  0
 28 58  1  0  0  0  0
M  END

$$$$
D00TJF
  -OEChem-10101305022D

 30 32  0     0  0  0  0  0  0999 V2000
    7.7146   -3.0445    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.0174   -0.0247    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.9350    1.4891    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0290    3.0445    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    1.0099    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    1.5099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0290    0.9752    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    2.5099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    1.0099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8776   -0.5347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    1.5099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    3.0099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    2.5099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8660   -1.5346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7493   -0.0447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9350    2.5307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7262   -2.0446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6095   -0.5547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5980   -1.5547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.3899    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4769   -0.3285    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    3.6299    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    2.8199    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3255   -1.8384    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7565    0.5752    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4708    2.8428    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1500   -0.2510    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1313   -1.8708    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.3199    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    0.3899    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 17  1  0  0  0  0
  2  7  1  0  0  0  0
  2 10  1  0  0  0  0
  2 21  1  0  0  0  0
  3  7  2  0  0  0  0
  3 16  1  0  0  0  0
  4  8  1  0  0  0  0
  4 16  2  0  0  0  0
  5 11  1  0  0  0  0
  5 29  1  0  0  0  0
  5 30  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  2  0  0  0  0
  6  9  1  0  0  0  0
  8 12  1  0  0  0  0
  9 11  2  0  0  0  0
  9 20  1  0  0  0  0
 10 14  2  0  0  0  0
 10 15  1  0  0  0  0
 11 13  1  0  0  0  0
 12 13  2  0  0  0  0
 12 22  1  0  0  0  0
 13 23  1  0  0  0  0
 14 17  1  0  0  0  0
 14 24  1  0  0  0  0
 15 18  2  0  0  0  0
 15 25  1  0  0  0  0
 16 26  1  0  0  0  0
 17 19  2  0  0  0  0
 18 19  1  0  0  0  0
 18 27  1  0  0  0  0
 19 28  1  0  0  0  0
M  END

$$$$
D00TKJ
  -OEChem-10101305022D

 32 35  0     0  0  0  0  0  0999 V2000
    9.4908    0.1844    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.5348   -2.4221    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3211    1.8327    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783   -1.4715    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9889    1.0884    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.7917   -1.1668    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2619   -0.6668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2619   -0.6668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783    0.1379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.1668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.1668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8455    0.1379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7960   -0.1727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8455   -1.4715    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.3332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.6668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6393    1.1164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.1668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8709   -2.0609    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0500    1.3090    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    1.4631    0.1432    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2557    2.3909    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7956    1.8877    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5137    2.4221    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  5  1  0  0  0  0
  3 32  1  0  0  0  0
  4  7  1  0  0  0  0
  4 11  1  0  0  0  0
  4 23  1  0  0  0  0
  5  9  1  0  0  0  0
  5 27  1  0  0  0  0
  6 13  2  0  0  0  0
  6 14  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  2  0  0  0  0
  8 12  2  0  0  0  0
  8 14  1  0  0  0  0
  9 10  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
 12 13  1  0  0  0  0
 12 17  1  0  0  0  0
 13 20  1  0  0  0  0
 15 18  1  0  0  0  0
 15 24  1  0  0  0  0
 16 19  1  0  0  0  0
 16 25  1  0  0  0  0
 17 21  2  0  0  0  0
 17 26  1  0  0  0  0
 18 19  2  0  0  0  0
 18 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

$$$$
D00TKO
  -OEChem-10101305022D

 26 27  0     0  0  0  0  0  0999 V2000
    3.0000    2.2694    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.0000    2.2694    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.2694    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -1.7306    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    1.2694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -0.7306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1340    0.7694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8660    0.7694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1340   -0.2306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8660   -0.2306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    3.2694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8090   -2.3184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1910   -2.3184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5000   -3.2694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000   -3.2694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5970    1.0794    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4030    1.0794    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5970   -0.5406    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6200    3.2694    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.3800    3.2694    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  1  3  2  0  0  0  0
  1  5  1  0  0  0  0
  1 11  1  0  0  0  0
  4  6  1  0  0  0  0
  4 12  1  0  0  0  0
  4 13  1  0  0  0  0
  5  7  2  0  0  0  0
  5  8  1  0  0  0  0
  6  9  2  0  0  0  0
  6 10  1  0  0  0  0
  7  9  1  0  0  0  0
  7 16  1  0  0  0  0
  8 10  2  0  0  0  0
  8 17  1  0  0  0  0
  9 18  1  0  0  0  0
 10 19  1  0  0  0  0
 11 20  1  0  0  0  0
 11 21  1  0  0  0  0
 11 22  1  0  0  0  0
 12 15  2  0  0  0  0
 12 23  1  0  0  0  0
 13 14  2  0  0  0  0
 13 24  1  0  0  0  0
 14 15  1  0  0  0  0
 14 26  1  0  0  0  0
 15 25  1  0  0  0  0
M  END

$$$$
D00TNN
  -OEChem-10101305032D

 42 44  0     1  0  0  0  0  0999 V2000
    3.7320   -1.2500    0.0000 O   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
    3.7320   -3.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0000   -3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7320   -4.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.2500    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
    2.8660    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8660    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
    4.5981    3.2500    0.0000 C   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
    4.5981    4.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.3301    4.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 20 41  1  0  0  0  0
 21 42  1  0  0  0  0
M  END

$$$$
D00TNR
  -OEChem-10121500142D

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 41 77  1  0  0  0  0
 42 78  1  0  0  0  0
M  END

$$$$
D00TOF
  -OEChem-10101305022D

 48 51  0     1  0  0  0  0  0999 V2000
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 26 47  1  0  0  0  0
 26 48  1  0  0  0  0
M  END

$$$$
D00TPG
  -OEChem-10101305022D

 25 26  0     0  0  0  0  0  0999 V2000
    6.2160    2.5080    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6337    3.2125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6456   -0.1192    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3147    0.6239    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8366    1.2820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8147    1.4899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2215    2.4035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6540    0.3701    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2554   -0.3202    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3758    1.6969    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7745   -0.7257    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -1.4025    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -1.4025    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -3.0225    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -3.0225    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.8325    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4682    3.0744    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 15  2  0  0  0  0
  3  4  1  0  0  0  0
  3  6  1  0  0  0  0
  3 19  1  0  0  0  0
  4 11  2  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 16  1  0  0  0  0
  5 17  1  0  0  0  0
  6  8  2  0  0  0  0
  7  9  2  0  0  0  0
  7 10  1  0  0  0  0
  8 11  1  0  0  0  0
  8 18  1  0  0  0  0
  9 12  1  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 15  1  0  0  0  0
 12 14  2  0  0  0  0
 12 22  1  0  0  0  0
 13 14  1  0  0  0  0
 13 23  1  0  0  0  0
 14 24  1  0  0  0  0
M  END

$$$$
D00TPO
  -OEChem-10101305022D

 50 52  0     0  0  0  0  0  0999 V2000
    4.3211    1.5490    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2101    4.8130    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783   -1.7552    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9889   -2.7058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9674   -2.9120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.4505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.4505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783   -0.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2781   -3.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2619   -0.9505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2566   -4.0687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.9505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9889    0.8047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.0495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9674    1.0110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.4505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.4505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5673   -5.0193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2781    1.9615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2566    2.1677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6103    2.7058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5673    3.1182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9209    3.6563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8994    3.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1886    5.0193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3751   -2.7931    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9684   -3.3254    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5812   -2.8246    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9880   -2.2923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6643   -3.9499    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2575   -4.4822    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8819   -0.9505    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8704   -3.9814    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2772   -3.4491    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.5705    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.6695    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9880    0.3913    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5812    0.9236    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -1.7605    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -0.1405    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9780   -5.2119    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7599   -5.6086    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1566   -4.8266    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6707    1.7062    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0036    2.5779    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1739    3.2461    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5069    4.1178    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3164    4.4126    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7953    5.1471    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0607    5.6259    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  2  0  0  0  0
  2 24  1  0  0  0  0
  2 25  1  0  0  0  0
  3  4  1  0  0  0  0
  3  6  1  0  0  0  0
  3 10  1  0  0  0  0
  4  5  1  0  0  0  0
  4 26  1  0  0  0  0
  4 27  1  0  0  0  0
  5  9  1  0  0  0  0
  5 28  1  0  0  0  0
  5 29  1  0  0  0  0
  6  7  1  0  0  0  0
  6 12  2  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 13  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 32  1  0  0  0  0
 11 18  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
 13 15  1  0  0  0  0
 14 17  1  0  0  0  0
 14 36  1  0  0  0  0
 15 19  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 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 20  2  0  0  0  0
 19 21  1  0  0  0  0
 20 22  1  0  0  0  0
 20 44  1  0  0  0  0
 21 23  2  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 24  1  0  0  0  0
 23 47  1  0  0  0  0
 25 48  1  0  0  0  0
 25 49  1  0  0  0  0
 25 50  1  0  0  0  0
M  END

$$$$
D00TQR
  -OEChem-10101305032D

 27 28  0     0  0  0  0  0  0999 V2000
    2.0000   -0.2500    0.0000 O   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
    3.7320   -0.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5443    1.5547    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5443   -0.0547    0.0000 N   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
    4.5981    0.2500    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
    2.8660   -1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.2500    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
    2.8660   -2.7500    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
    6.1279    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9441   -1.8326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3426   -1.1423    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6540   -1.1674    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2554   -1.8577    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7369    2.1440    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2460   -2.7500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4860   -2.7500    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
    6.7479    0.7500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  2  0  0  0  0
  2 12  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 11  1  0  0  0  0
  4 12  1  0  0  0  0
  4 14  1  0  0  0  0
  5  9  1  0  0  0  0
  5 15  1  0  0  0  0
  5 20  1  0  0  0  0
  6  8  1  0  0  0  0
  6 15  2  0  0  0  0
  7 10  1  0  0  0  0
  7 16  1  0  0  0  0
  7 17  1  0  0  0  0
  8  9  2  0  0  0  0
  9 12  1  0  0  0  0
 10 13  1  0  0  0  0
 10 18  1  0  0  0  0
 10 19  1  0  0  0  0
 13 21  1  0  0  0  0
 13 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 27  1  0  0  0  0
M  END

$$$$
D00TRF
  -OEChem-10101305022D

 26 26  0     0  0  0  0  0  0999 V2000
    3.7320   -0.4050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.5950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    3.5950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.5950    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    2.5950    0.0000 N   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
    2.8660   -0.9050    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
    3.7320   -2.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.4050    0.0000 C   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
    2.8660   -3.9050    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
    2.6540   -0.3224    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2554   -1.0127    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -2.0950    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -2.0950    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8101    0.5124    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2087    1.2027    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -3.7150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -3.7150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951    0.9050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -4.5250    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
    6.0010    3.9050    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 14  2  0  0  0  0
  3  5  1  0  0  0  0
  3 26  1  0  0  0  0
  4 10  1  0  0  0  0
  4 23  1  0  0  0  0
  5 14  1  0  0  0  0
  5 25  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  2  0  0  0  0
  6  9  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 17  1  0  0  0  0
  9 12  2  0  0  0  0
  9 18  1  0  0  0  0
 10 14  1  0  0  0  0
 10 19  1  0  0  0  0
 10 20  1  0  0  0  0
 11 13  2  0  0  0  0
 11 21  1  0  0  0  0
 12 13  1  0  0  0  0
 12 22  1  0  0  0  0
 13 24  1  0  0  0  0
M  END

$$$$
D00TRY
  -OEChem-10101305032D

 40 40  0     1  0  0  0  0  0999 V2000
    5.1350    1.5000    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
    3.4030    1.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.0000    0.0000 N   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
    2.5369   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -3.0000    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
    3.4030   -3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -0.5000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.5369    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
    5.1350    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1350    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1350    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 11 29  1  0  0  0  0
 12 31  1  0  0  0  0
 14 15  1  0  0  0  0
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 16 35  1  0  0  0  0
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 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
M  END

$$$$
D00TRZ
  -OEChem-10101305022D

 50 51  0     1  0  0  0  0  0999 V2000
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 20 48  1  0  0  0  0
 20 49  1  0  0  0  0
 20 50  1  0  0  0  0
M  END

$$$$
D00TSX
  -OEChem-10101305022D

126131  0     1  0  0  0  0  0999 V2000
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M  END

$$$$
D00TSY
  -OEChem-10101305022D

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M  END

$$$$
D00TUB
  -OEChem-04152109452D

 30 32  0     0  0  0  0  0  0999 V2000
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    8.9962   -1.9400    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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 11 15  2  0  0  0  0
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 18 19  1  0  0  0  0
 18 27  1  0  0  0  0
M  END

$$$$
D00TUH
  -OEChem-10101305022D

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M  END

$$$$
D00TVY
  -OEChem-10101305022D

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M  END

$$$$
D00TWA
  BIDD-NUS20110812001D

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  9  8  1  0     0  0
 14 15  2  0     0  0
 10 11  2  0     0  0
M  ENDM  END

$$$$
D00TWC
  -OEChem-10101305022D

 37 39  0     0  0  0  0  0  0999 V2000
    4.2690   -4.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.7331   -4.0000    0.0000 Cl  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
    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 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
    5.1350    2.5000    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
    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
    3.4030    2.5000    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
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    5.1350    3.5000    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
    3.4030    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8660    0.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1 19  1  0  0  0  0
  2 23  1  0  0  0  0
  3 10  1  0  0  0  0
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  4 35  1  0  0  0  0
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  5 11  2  0  0  0  0
  6  8  2  0  0  0  0
  6  9  1  0  0  0  0
  7 14  2  0  0  0  0
  7 15  1  0  0  0  0
  8 12  1  0  0  0  0
  8 24  1  0  0  0  0
  9 13  2  0  0  0  0
  9 25  1  0  0  0  0
 10 12  2  0  0  0  0
 10 13  1  0  0  0  0
 11 16  1  0  0  0  0
 11 26  1  0  0  0  0
 13 27  1  0  0  0  0
 14 17  1  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 17  2  0  0  0  0
 16 32  1  0  0  0  0
 17 33  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 34  1  0  0  0  0
 21 23  2  0  0  0  0
 21 36  1  0  0  0  0
 22 23  1  0  0  0  0
 22 37  1  0  0  0  0
M  END

$$$$
D00TWK
  -OEChem-10101305022D

 31 32  0     0  0  0  0  0  0999 V2000
    5.4641   -3.5950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.5950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    3.9050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8660   -2.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7320    1.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1 12  1  0  0  0  0
  1 29  1  0  0  0  0
  2 13  1  0  0  0  0
  2 30  1  0  0  0  0
  3 17  1  0  0  0  0
  3 31  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4 18  1  0  0  0  0
  4 19  1  0  0  0  0
  5  7  1  0  0  0  0
  5 20  1  0  0  0  0
  5 21  1  0  0  0  0
  6  8  2  0  0  0  0
  6  9  1  0  0  0  0
  7 10  2  0  0  0  0
  7 11  1  0  0  0  0
  8 13  1  0  0  0  0
  8 22  1  0  0  0  0
  9 12  2  0  0  0  0
  9 23  1  0  0  0  0
 10 15  1  0  0  0  0
 10 24  1  0  0  0  0
 11 16  2  0  0  0  0
 11 25  1  0  0  0  0
 12 14  1  0  0  0  0
 13 14  2  0  0  0  0
 14 26  1  0  0  0  0
 15 17  2  0  0  0  0
 15 27  1  0  0  0  0
 16 17  1  0  0  0  0
 16 28  1  0  0  0  0
M  END

$$$$
D00TWV
  -OEChem-10191521192D

 67 71  0     0  0  0  0  0  0999 V2000
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    4.0756   -2.1190    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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    2.5896    5.0065    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   11.0399   -1.2994    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.6580   -1.2994    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   12.3489   -0.3483    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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 29 33  1  0  0  0  0
 30 34  2  0  0  0  0
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 31 59  1  0  0  0  0
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 38 40  2  0  0  0  0
 39 40  1  0  0  0  0
 39 65  1  0  0  0  0
M  ISO  1   1 125
M  END

$$$$
D00TYW
  -OEChem-10101305032D

 56 56  0     0  0  0  0  0  0999 V2000
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 16 23  1  0  0  0  0
 16 47  1  0  0  0  0
 16 48  1  0  0  0  0
 17 20  2  0  0  0  0
 18 19  1  0  0  0  0
 19 21  2  0  0  0  0
 19 24  1  0  0  0  0
 20 21  1  0  0  0  0
 20 49  1  0  0  0  0
 22 50  1  0  0  0  0
 22 51  1  0  0  0  0
 22 52  1  0  0  0  0
 23 53  1  0  0  0  0
 23 54  1  0  0  0  0
 23 55  1  0  0  0  0
M  END

$$$$
D00TYX
  -OEChem-10191521272D

 41 42  0     0  0  0  0  0  0999 V2000
    3.7320   -0.8619    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.2320    0.0042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2320   -1.7279    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    7.1962   -0.8619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4530    0.3934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -1.8618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.8619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
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  1  6  1  0  0  0  0
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 13 25  1  0  0  0  0
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 18 34  1  0  0  0  0
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 19 37  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
M  ISO  6  32   3  33   3  34   3  35   3  36   3  37   3
M  END

$$$$
D00TZD
  -OEChem-10101305022D

 37 39  0     0  0  0  0  0  0999 V2000
   10.6418   -3.0445    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.5099    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    7.1962    1.0099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  7 10  1  0  0  0  0
  8 12  1  0  0  0  0
 10 11  2  0  0  0  0
 10 25  1  0  0  0  0
 11 13  1  0  0  0  0
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 13 28  1  0  0  0  0
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 15 18  1  0  0  0  0
 15 29  1  0  0  0  0
 16 19  2  0  0  0  0
 16 30  1  0  0  0  0
 17 32  1  0  0  0  0
 18 20  2  0  0  0  0
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 19 33  1  0  0  0  0
 20 34  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  3  0  0  0  0
 23 24  1  0  0  0  0
 24 35  1  0  0  0  0
 24 36  1  0  0  0  0
 24 37  1  0  0  0  0
M  END

$$$$
D00UBR
  -OEChem-10101305022D

 46 48  0     0  0  0  0  0  0999 V2000
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 21 44  1  0  0  0  0
 22 23  1  0  0  0  0
 22 45  1  0  0  0  0
 23 46  1  0  0  0  0
M  END

$$$$
D00UCP
  -OEChem-10101305032D

 50 52  0     0  0  0  0  0  0999 V2000
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 25 28  2  0  0  0  0
 25 48  1  0  0  0  0
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 27 45  1  0  0  0  0
 27 46  1  0  0  0  0
 27 47  1  0  0  0  0
 28 50  1  0  0  0  0
M  END

$$$$
D00UCX
  -OEChem-04152110292D

459464  0     1  0  0  0  0  0999 V2000
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M  END

$$$$
D00UDX
  -OEChem-10101305032D

 34 33  0     0  0  0  0  0  0999 V2000
    4.2690    0.5950    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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 12 28  1  0  0  0  0
M  END

$$$$
D00UFJ
  -OEChem-10101305032D

 32 34  0     0  0  0  0  0  0999 V2000
    3.8041   -4.7852    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.4791    1.3026    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.9380   -0.2852    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6701   -0.2852    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8611    1.3026    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5823    3.0626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1701    2.2536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8041   -1.7852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6701    0.7148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9890    3.9762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5878    2.9581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1701    2.2536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8041   -0.7852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9380   -2.2852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6701   -2.2852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4013    4.7852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    3.7671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4067    4.6807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9380   -3.2852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6701   -3.2852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8041   -3.7852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6056    4.0410    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3356    2.3917    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5345    2.7552    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2070   -0.5952    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4011   -1.9752    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2070   -1.9752    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6534    5.3516    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3834    3.7023    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0423    5.1823    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4011   -3.5952    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2070   -3.5952    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 21  1  0  0  0  0
  2  9  1  0  0  0  0
  2 12  1  0  0  0  0
  3 13  2  0  0  0  0
  4  9  1  0  0  0  0
  4 13  1  0  0  0  0
  4 25  1  0  0  0  0
  5  7  1  0  0  0  0
  5  9  2  0  0  0  0
  6  7  1  0  0  0  0
  6 10  2  0  0  0  0
  6 11  1  0  0  0  0
  7 12  2  0  0  0  0
  8 13  1  0  0  0  0
  8 14  2  0  0  0  0
  8 15  1  0  0  0  0
 10 16  1  0  0  0  0
 10 22  1  0  0  0  0
 11 17  2  0  0  0  0
 11 23  1  0  0  0  0
 12 24  1  0  0  0  0
 14 19  1  0  0  0  0
 14 26  1  0  0  0  0
 15 20  2  0  0  0  0
 15 27  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
 19 21  2  0  0  0  0
 19 31  1  0  0  0  0
 20 21  1  0  0  0  0
 20 32  1  0  0  0  0
M  END

$$$$
D00UFR
  -OEChem-04152108352D

 15 14  0     0  0  0  0  0  0999 V2000
    2.8660   -2.2500    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.2500    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    4.5981    1.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.2500    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.7320    2.2500    0.0000 O   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
    3.7320    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.7500    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
    4.5981    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9441   -1.3326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3426   -0.6423    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291    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 10  2  0  0  0  0
  3 11  1  0  0  0  0
  4 11  2  0  0  0  0
  5 12  1  0  0  0  0
  6 12  2  0  0  0  0
  7  8  1  0  0  0  0
  7 10  1  0  0  0  0
  7 13  1  0  0  0  0
  7 14  1  0  0  0  0
  8  9  2  0  0  0  0
  8 11  1  0  0  0  0
  9 12  1  0  0  0  0
  9 15  1  0  0  0  0
M  CHG  3   1  -1   3  -1   5  -1
M  END

$$$$
D00UIK
  -OEChem-10101305022D

 34 36  0     0  0  0  0  0  0999 V2000
    3.7320    3.5950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.4050    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.0950    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
    4.5981    2.0950    0.0000 C   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
    2.8660    1.0950    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
    2.8660   -1.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4920    0.5603    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
    5.4920    2.6297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981    1.0742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981    2.1158    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
    3.7320   -2.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.4050    0.0000 C   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
    2.8660   -3.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6540   -0.3224    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2554   -1.0127    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
    2.3291    0.7850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4848   -0.0596    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
    5.4848    3.2496    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9338    0.7621    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9338    2.4279    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -2.0950    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -2.0950    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -3.7150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -3.7150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -4.5250    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
  1  8  1  0  0  0  0
  1 34  1  0  0  0  0
  2  4  1  0  0  0  0
  2  6  1  0  0  0  0
  2 22  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3 10  2  0  0  0  0
  4  7  2  0  0  0  0
  5  8  1  0  0  0  0
  5 12  2  0  0  0  0
  6  9  1  0  0  0  0
  6 20  1  0  0  0  0
  6 21  1  0  0  0  0
  7 11  1  0  0  0  0
  7 23  1  0  0  0  0
  8 11  2  0  0  0  0
  9 15  2  0  0  0  0
  9 16  1  0  0  0  0
 10 13  1  0  0  0  0
 10 24  1  0  0  0  0
 11 25  1  0  0  0  0
 12 14  1  0  0  0  0
 12 26  1  0  0  0  0
 13 14  2  0  0  0  0
 13 27  1  0  0  0  0
 14 28  1  0  0  0  0
 15 17  1  0  0  0  0
 15 29  1  0  0  0  0
 16 18  2  0  0  0  0
 16 30  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

$$$$
D00UIN
  -OEChem-10101305022D

 47 50  0     0  0  0  0  0  0999 V2000
    8.2619   -1.3660    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2619    2.0981    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783    2.9028    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7619   -2.2320    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783    1.2933    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.2619   -3.0981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2619   -1.3660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2619   -1.3660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2619   -3.0981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7619   -2.2320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7619   -2.2320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2619   -1.3660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7619   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2619    0.3660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7619   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7619    1.2320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2619    0.3660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7619    1.2320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.5981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.5981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2619    2.0981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    3.0981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.0981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.5981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.5981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3695   -0.7554    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6793   -1.1540    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6793   -3.3101    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3695   -3.7087    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.8445   -1.1540    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.1542   -0.7554    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.1542   -3.7087    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.8445   -3.3101    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.2368   -2.6306    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.2368   -1.8335    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1793   -2.4441    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8695   -2.8426    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8445   -1.1540    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1542   -0.7554    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8819    0.3660    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4519   -1.0369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0719    1.7690    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6419    0.3660    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    3.7181    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.4781    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    2.9081    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    1.2881    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  1  0  0  0  0
  1 13  1  0  0  0  0
  2 18  1  0  0  0  0
  2 21  1  0  0  0  0
  3 19  1  0  0  0  0
  3 21  1  0  0  0  0
  4  6  1  0  0  0  0
  4  7  1  0  0  0  0
  4 11  1  0  0  0  0
  5 20  1  0  0  0  0
  5 21  2  0  0  0  0
  6  9  1  0  0  0  0
  6 28  1  0  0  0  0
  6 29  1  0  0  0  0
  7  8  1  0  0  0  0
  7 26  1  0  0  0  0
  7 27  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 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 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
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
 14 40  1  0  0  0  0
 15 17  2  0  0  0  0
 15 41  1  0  0  0  0
 16 18  2  0  0  0  0
 16 42  1  0  0  0  0
 17 18  1  0  0  0  0
 17 43  1  0  0  0  0
 19 20  1  0  0  0  0
 19 22  2  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
 23 25  1  0  0  0  0
 23 45  1  0  0  0  0
 24 25  2  0  0  0  0
 24 46  1  0  0  0  0
 25 47  1  0  0  0  0
M  END

$$$$
D00UKA
  -OEChem-10101305022D

174177  0     1  0  0  0  0  0999 V2000
   15.4138   -8.5752    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.0675   -0.3879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7603   -3.5714    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3996    0.3564    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.0065   -2.0022    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4176    2.3831    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.9850   -1.7960    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6817    5.9789    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.2312   -0.2268    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4141    4.6160    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7244   -7.6247    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7032    5.7727    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.5884   -1.9216    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.9241   -3.4102    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 81 86  2  0  0  0  0
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 83156  1  0  0  0  0
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 85160  1  0  0  0  0
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 85162  1  0  0  0  0
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 86165  1  0  0  0  0
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 87166  1  0  0  0  0
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 88170  1  0  0  0  0
 89 90  1  0  0  0  0
 89171  1  0  0  0  0
 90173  1  0  0  0  0
M  END

$$$$
D00ULT
  -OEChem-10101305022D

 34 33  0     0  0  0  0  0  0999 V2000
    2.0000   -0.8170    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.3660    0.5490    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.3660   -1.1830    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.1830    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    0.1830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.9282    0.1830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.6603    0.1830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.3170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5263   -0.3170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8660   -0.3170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.1928   -0.7919    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   11.0588    0.6580    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2617    0.6580    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   11.2163   -0.8539    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   11.8363    0.2199    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 15  1  0  0  0  0
  2 15  1  0  0  0  0
  3 15  1  0  0  0  0
  4 14  2  0  0  0  0
  5  6  1  0  0  0  0
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  5 16  1  0  0  0  0
  5 17  1  0  0  0  0
  6  8  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
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  8  9  1  0  0  0  0
  8 22  1  0  0  0  0
  8 23  1  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 12  1  0  0  0  0
 10 26  1  0  0  0  0
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 11 13  1  0  0  0  0
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 13 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
M  END

$$$$
D00UMG
  -OEChem-10101305022D

 54 57  0     1  0  0  0  0  0999 V2000
   10.1279    3.7326    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.0005    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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   10.1279    0.2685    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6279    2.8665    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1 20  1  0  0  0  0
  2 30  1  0  0  0  0
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 15  7  1  1  0  0  0
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 10 12  1  0  0  0  0
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 20 25  2  0  0  0  0
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 23 24  2  0  0  0  0
 23 28  1  0  0  0  0
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 29 31  2  0  0  0  0
 29 52  1  0  0  0  0
 30 31  1  0  0  0  0
 31 54  1  0  0  0  0
M  END

$$$$
D00UOI
  -OEChem-10191521562D

 79 82  0     1  0  0  0  0  0999 V2000
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   13.0401   -1.6802    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  CHG  1   5  -1
M  END

$$$$
D00UPU
          01210517122D 1   1.00000     0.00000     0

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 10 13  1  0     0  0
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 12  6  1  0     0  0
 13 11  1  0     0  0
 14  9  1  0     0  0
 15 19  1  0     0  0
 16  5  2  0     0  0
 17  6  2  0     0  0
 18 22  1  0     0  0
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 20  9  2  0     0  0
 21  7  2  0     0  0
 22 14  1  0     0  0
 23 10  2  0     0  0
 24 12  1  0     0  0
 25 10  1  0     0  0
 26 16  1  0     0  0
 27  5  1  0     0  0
 13 28  1  1     0  0
 29 30  2  0     0  0
 30 31  1  0     0  0
 31 22  2  0     0  0
 32 16  1  0     0  0
 33 24  1  0     0  0
 34 24  1  0     0  0
 35 24  1  0     0  0
 36 28  1  0     0  0
 37 27  2  0     0  0
 38 37  1  0     0  0
  8  4  1  0     0  0
 32 38  2  0     0  0
 11 29  1  0     0  0
M  END

$$$$
D00URP
  -OEChem-10101305022D

 32 34  0     0  0  0  0  0  0999 V2000
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M  END

$$$$
D00UTF
  -OEChem-10191522312D

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    3.4860    1.7298    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    3.5398    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    8.9266    4.7702    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2573   -2.9602    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.0632   -2.9602    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603   -5.3902    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 32  1  0  0  0  0
  2 33  1  0  0  0  0
  3 25  2  0  0  0  0
  4 26  2  0  0  0  0
  5 16  1  0  0  0  0
  5 26  1  0  0  0  0
  5 42  1  0  0  0  0
  6 25  1  0  0  0  0
  6 28  1  0  0  0  0
  6 29  1  0  0  0  0
  7 10  1  0  0  0  0
  7 24  2  0  0  0  0
  8 26  1  0  0  0  0
  8 27  1  0  0  0  0
  8 43  1  0  0  0  0
  9 11  2  0  0  0  0
  9 24  1  0  0  0  0
 10 11  1  0  0  0  0
 10 50  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  2  0  0  0  0
 12 15  1  0  0  0  0
 13 18  2  0  0  0  0
 13 19  1  0  0  0  0
 14 17  1  0  0  0  0
 14 24  1  0  0  0  0
 15 20  2  0  0  0  0
 15 35  1  0  0  0  0
 16 17  2  0  0  0  0
 16 20  1  0  0  0  0
 17 36  1  0  0  0  0
 18 22  1  0  0  0  0
 18 37  1  0  0  0  0
 19 23  2  0  0  0  0
 19 38  1  0  0  0  0
 20 39  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 21 25  1  0  0  0  0
 22 40  1  0  0  0  0
 23 41  1  0  0  0  0
 27 30  2  0  0  0  0
 27 31  1  0  0  0  0
 28 44  1  0  0  0  0
 28 48  1  0  0  0  0
 28 49  1  0  0  0  0
 29 45  1  0  0  0  0
 29 46  1  0  0  0  0
 29 47  1  0  0  0  0
 30 33  1  0  0  0  0
 30 51  1  0  0  0  0
 31 32  2  0  0  0  0
 31 52  1  0  0  0  0
 32 34  1  0  0  0  0
 33 34  2  0  0  0  0
 34 53  1  0  0  0  0
M  END

$$$$
D00UTU
  -OEChem-04152109532D

 37 40  0     0  0  0  0  0  0999 V2000
    3.4607   -3.5055    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    6.8566   -1.5055    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000    0.1884    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.6776    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2730   -2.3103    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.5298    0.5545    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0000    1.0545    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2730   -0.7008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3267   -1.0055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5836    0.2497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3267   -2.0055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8566   -1.5055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    1.0545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5836    1.8592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.4607   -0.5055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.3774    2.8377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5947   -1.0055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2784    2.2164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5947   -2.0055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1217    3.5055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0722    3.1949    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5000    0.1884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.0545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4656   -2.8996    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4607    0.1145    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7881    3.0303    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0577   -0.6955    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8678    2.0238    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0577   -2.3155    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9938    4.1122    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5337    3.6089    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1666   -2.0425    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    1.3644    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900    1.5914    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    0.7445    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 17  1  0  0  0  0
  2 12  1  0  0  0  0
  2 34  1  0  0  0  0
  3  7  1  0  0  0  0
  3 24  1  0  0  0  0
  4 24  2  0  0  0  0
  5 11  1  0  0  0  0
  5 12  1  0  0  0  0
  5 26  1  0  0  0  0
  6 10  2  0  0  0  0
  6 15  1  0  0  0  0
  7 13  2  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  2  0  0  0  0
  9 16  1  0  0  0  0
 10 13  1  0  0  0  0
 11 17  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 18  2  0  0  0  0
 15 20  2  0  0  0  0
 16 19  2  0  0  0  0
 16 27  1  0  0  0  0
 17 21  2  0  0  0  0
 18 22  1  0  0  0  0
 18 28  1  0  0  0  0
 19 21  1  0  0  0  0
 19 29  1  0  0  0  0
 20 23  1  0  0  0  0
 20 30  1  0  0  0  0
 21 31  1  0  0  0  0
 22 23  2  0  0  0  0
 22 32  1  0  0  0  0
 23 33  1  0  0  0  0
 24 25  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

$$$$
D00UUG
  -OEChem-04152110502D

 57 59  0     1  0  0  0  0  0999 V2000
    8.5868    3.2462    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3188    3.2529    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   13.8566    0.2771    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3984    1.2262    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5497   -3.2771    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2817   -3.2704    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1343    0.2329    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.8566    3.2771    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.7227    1.7771    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.5887    3.2771    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   10.3265    1.2529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.1906    1.7563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.5983    0.2463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7265    1.7429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0967    1.2424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.9906    1.7771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7342   -0.2571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8624    1.2396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9906    2.7771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0022   -0.2638    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0967    3.3117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4099   -1.7738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8566    1.2771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4022    0.2262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7227    2.7771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4138   -2.7738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9943    2.0617    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9298    0.7764    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7269    0.7795    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2678    0.3496    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1365   -0.0617    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1038    0.6225    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4883   -1.8522    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8842   -1.1604    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6549    3.1100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7366   -0.8771    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3243    1.5475    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1319    0.8529    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.1038    3.9317    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.7998   -1.8838    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.2596    1.4671    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5844    3.8662    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   15.5887    3.8971    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.1256    2.9671    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1 21  1  0  0  0  0
  1 53  1  0  0  0  0
  2 21  2  0  0  0  0
  3 29  2  0  0  0  0
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 17  9  1  1  0  0  0
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 10 28  1  0  0  0  0
 10 34  2  0  0  0  0
 11 32  1  0  0  0  0
 11 34  1  0  0  0  0
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 12 34  1  0  0  0  0
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 13 21  1  1  0  0  0
 13 36  1  0  0  0  0
 14 16  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
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 16 20  2  0  0  0  0
 16 24  1  0  0  0  0
 17 22  1  0  0  0  0
 17 33  1  0  0  0  0
 17 39  1  0  0  0  0
 18 26  1  0  0  0  0
 18 40  1  0  0  0  0
 19 27  2  0  0  0  0
 19 41  1  0  0  0  0
 20 25  1  0  0  0  0
 20 42  1  0  0  0  0
 22 31  1  0  0  0  0
 22 43  1  0  0  0  0
 22 44  1  0  0  0  0
 23 26  2  0  0  0  0
 23 27  1  0  0  0  0
 23 29  1  0  0  0  0
 24 30  2  0  0  0  0
 24 45  1  0  0  0  0
 25 28  2  0  0  0  0
 25 32  1  0  0  0  0
 26 46  1  0  0  0  0
 27 47  1  0  0  0  0
 28 30  1  0  0  0  0
 30 49  1  0  0  0  0
 31 35  1  0  0  0  0
 31 50  1  0  0  0  0
 31 51  1  0  0  0  0
M  END

$$$$
D00UUM
  -OEChem-10101305032D

 30 31  0     0  0  0  0  0  0999 V2000
    7.5673   -2.6502    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
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    7.8779   -3.6007    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5178   -2.3395    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6168   -2.9608    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.6783    2.2233    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0000    1.9186    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    3.4186    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    5.9674   -0.5429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.9186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.9186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2619    1.4186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2566   -1.6997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    2.4186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.9186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  3  1  0  0  0  0
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  1 16  1  0  0  0  0
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  2 16  1  0  0  0  0
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  6 11  1  0  0  0  0
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 10 27  1  0  0  0  0
 10 28  1  0  0  0  0
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M  END

$$$$
D00UWL
  -OEChem-10101305022D

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M  END

$$$$
D00UZO
  -OEChem-10191522312D

 62 61  0     0  0  0  0  0  0999 V2000
    5.4641    2.1550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    2.1550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    4.6550    0.0000 N   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
    2.8660    0.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8660    1.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.3450    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
    7.1962    0.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -0.8450    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
    2.8660   -2.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.3426    0.0473    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    1.6900    1.6181    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    6.1181    0.0724    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1 18  1  0  0  0  0
  1 24  1  0  0  0  0
  2 18  2  0  0  0  0
  3 25  1  0  0  0  0
  3 61  1  0  0  0  0
  3 62  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4 26  1  0  0  0  0
  4 27  1  0  0  0  0
  5  7  1  0  0  0  0
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  6  8  1  0  0  0  0
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  7  9  1  0  0  0  0
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  8 13  2  0  0  0  0
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 21 54  1  0  0  0  0
 22 23  2  0  0  0  0
 22 55  1  0  0  0  0
 23 56  1  0  0  0  0
 24 25  1  0  0  0  0
 24 57  1  0  0  0  0
 24 58  1  0  0  0  0
 25 59  1  0  0  0  0
 25 60  1  0  0  0  0
M  END

$$$$
D00VAN
  -OEChem-10101305032D

 34 35  0     0  0  0  0  0  0999 V2000
    9.4651    0.5000    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    2.0000    0.0000 S   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
    4.2690    0.5000    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
    6.0010   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.8671   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.7331    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.2690   -2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 17 19  2  0  0  0  0
 18 19  1  0  0  0  0
 18 30  1  0  0  0  0
 19 31  1  0  0  0  0
M  END

$$$$
D00VBW
  -OEChem-10191521282D

 51 51  0     0  0  0  0  0  0999 V2000
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 17 44  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  2  0  0  0  0
 19 45  1  0  0  0  0
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 19 47  1  0  0  0  0
 20 21  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
M  END

$$$$
D00VBX
  -OEChem-10101305022D

 27 28  0     0  0  0  0  0  0999 V2000
    4.4487    2.3512    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.4782   -3.1433    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4487    2.3512    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4487    2.3512    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3147   -2.1488    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4487    1.3512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.5827    0.8512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  3  2  0  0  0  0
  1  4  2  0  0  0  0
  1  6  1  0  0  0  0
  1 12  1  0  0  0  0
  2 14  1  0  0  0  0
  2 17  1  0  0  0  0
  5 13  2  0  0  0  0
  6  8  2  0  0  0  0
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  7 11  1  0  0  0  0
  7 13  1  0  0  0  0
  8 10  1  0  0  0  0
  8 18  1  0  0  0  0
  9 11  2  0  0  0  0
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 10 20  1  0  0  0  0
 11 21  1  0  0  0  0
 12 22  1  0  0  0  0
 12 23  1  0  0  0  0
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 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 15 25  1  0  0  0  0
 16 17  2  0  0  0  0
 16 26  1  0  0  0  0
 17 27  1  0  0  0  0
M  END

$$$$
D00VCH
          12060700062D 1   1.00000     0.00000     0

 21 23  0     1  0            999 V2000
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    3.2583   -2.1291    0.0000 N   0  0  0  0  0  0           0  0  0
    3.8745   -2.4875    0.0000 C   0  0  0  0  0  0           0  0  0
    4.4907   -2.1291    0.0000 C   0  0  0  0  0  0           0  0  0
    4.4907   -1.4167    0.0000 C   0  0  3  0  0  0           0  0  0
    3.8745   -1.0583    0.0000 C   0  0  0  0  0  0           0  0  0
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    5.7259   -1.4173    0.0000 C   0  0  0  0  0  0           0  0  0
    5.7224   -2.1301    0.0000 C   0  0  0  0  0  0           0  0  0
    6.3349   -2.4887    0.0000 C   0  0  0  0  0  0           0  0  0
    6.9536   -2.1306    0.0000 C   0  0  0  0  0  0           0  0  0
    6.9517   -1.4145    0.0000 C   0  0  0  0  0  0           0  0  0
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    5.7240    0.7153    0.0000 C   0  0  0  0  0  0           0  0  0
    7.5729   -0.3517    0.0000 F   0  0  0  0  0  0           0  0  0
  3  4  1  0     0  0
 10 11  2  0     0  0
  4  5  1  0     0  0
 11 12  1  0     0  0
  5  6  1  0     0  0
 12 13  2  0     0  0
 13  8  1  0     0  0
  7 14  1  6     0  0
  5  7  1  0     0  0
 14 15  1  0     0  0
  1  2  1  0     0  0
 15 16  2  0     0  0
  7  8  1  0     0  0
 16 17  1  0     0  0
  1  6  1  0     0  0
 17 18  2  0     0  0
  8  9  2  0     0  0
 18 19  1  0     0  0
  2  3  1  0     0  0
 19 20  2  0     0  0
 20 15  1  0     0  0
  9 10  1  0     0  0
 17 21  1  0     0  0
M  END

$$$$
D00VCW
  -OEChem-10101305032D

 61 60  0     0  0  0  0  0  0999 V2000
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    2.8660    1.8100    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
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 20 25  1  0  0  0  0
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 21 23  1  0  0  0  0
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 21 55  1  0  0  0  0
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 22 24  2  0  0  0  0
 22 57  1  0  0  0  0
 23 58  1  0  0  0  0
 24 59  1  0  0  0  0
 25 60  1  0  0  0  0
 25 61  1  0  0  0  0
M  END

$$$$
D00VEZ
  -OEChem-10191521302D

 36 37  0     1  0  0  0  0  0999 V2000
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 12 19  1  1  0  0  0
 13 23  1  0  0  0  0
 13 24  1  0  0  0  0
 14 16  1  0  0  0  0
 14 25  1  0  0  0  0
 15 18  1  0  0  0  0
 15 26  1  0  0  0  0
 15 27  1  0  0  0  0
 16 17  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
 18 20  1  0  0  0  0
 18 31  1  0  0  0  0
M  CHG  3   5  -1   7  -1   9   1
M  END

$$$$
D00VFM
  -OEChem-04152111032D

 56 58  0     1  0  0  0  0  0999 V2000
   14.1200    1.5976    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    8.6200    0.7315    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1200    1.5976    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6200    2.4636    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6200    0.7315    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.6200   -1.0005    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    9.7540   -1.5005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1200   -0.1345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1200   -0.1345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7540   -2.5005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4860   -1.5005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6200   -3.0005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4860   -2.5005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1200   -0.1345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1200   -0.1345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6200    0.7315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6200   -1.0005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6200    0.7315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6200   -1.0005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6200    0.7315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1200   -0.1345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1200    1.5976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1200   -0.1345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1200    1.5976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1200   -0.1345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6200    0.7315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6200    0.7315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1200    1.5976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5419   -0.9179    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1434   -1.6082    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7026    0.0776    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0123    0.4761    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2277    0.4761    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5374    0.0776    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1434   -2.3929    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5419   -3.0831    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.0230   -1.1905    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2215   -3.4755    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0185   -3.4755    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.0230   -2.8105    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5374   -0.3465    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2277   -0.7451    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.3100    1.2685    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.3100   -1.5374    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.9300   -1.5374    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.7400   -0.1345    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4300    2.1345    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4300   -0.6714    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8100    2.1345    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8100   -0.6714    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0374    0.5195    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7277    0.1210    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.4636    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9300    3.0005    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.7315    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9300    0.1946    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 18  1  0  0  0  0
  2 14  1  0  0  0  0
  2 20  1  0  0  0  0
  3 27  1  0  0  0  0
  3 28  2  0  0  0  0
  4 28  1  0  0  0  0
  4 53  1  0  0  0  0
  4 54  1  0  0  0  0
  5 28  1  0  0  0  0
  5 55  1  0  0  0  0
  5 56  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 11  1  0  0  0  0
  7 10  1  0  0  0  0
  7 29  1  0  0  0  0
  7 30  1  0  0  0  0
  8 14  1  0  0  0  0
  8 31  1  0  0  0  0
  8 32  1  0  0  0  0
  9 15  1  0  0  0  0
  9 33  1  0  0  0  0
  9 34  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  2  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
 14 41  1  0  0  0  0
 14 42  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
 16 43  1  0  0  0  0
 17 19  2  0  0  0  0
 17 44  1  0  0  0  0
 18 21  2  0  0  0  0
 19 21  1  0  0  0  0
 19 45  1  0  0  0  0
 20 22  2  0  0  0  0
 20 23  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 25  2  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 26  1  0  0  0  0
 25 50  1  0  0  0  0
 26 27  1  0  0  0  0
 27 51  1  0  0  0  0
 27 52  1  0  0  0  0
M  END

$$$$
D00VHG
  -OEChem-10101305022D

 49 50  0     0  0  0  0  0  0999 V2000
    5.4641    1.9400    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.4641    1.9400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4641    1.9400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.0600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    4.9400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    4.9400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -2.0600    0.0000 N   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
    5.4641    0.9400    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
    6.3301    0.4400    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
    4.5981   -0.5600    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
    3.7320    0.9400    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
    4.5981   -3.5600    0.0000 C   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
    4.5981   -2.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    3.4400    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
    3.7320   -5.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -4.0600    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
    2.8660   -5.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -5.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    4.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0611   -0.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -0.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0420    1.4769    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951    1.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4220    0.4031    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5062    0.4031    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
    6.8862    1.4769    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -2.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9272    3.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8101   -4.1426    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2087   -3.4523    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5422    2.8574    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9407    3.5477    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
    1.4631   -3.7500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4860   -2.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.9400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2460   -2.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -6.1800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -5.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    5.5600    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  8  1  0  0  0  0
  1  9  1  0  0  0  0
  4 19  2  0  0  0  0
  5 27  1  0  0  0  0
  5 49  1  0  0  0  0
  6 27  2  0  0  0  0
  7 12  1  0  0  0  0
  7 19  1  0  0  0  0
  7 36  1  0  0  0  0
  8 20  1  0  0  0  0
  8 37  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 10 13  1  0  0  0  0
 10 15  1  0  0  0  0
 11 14  2  0  0  0  0
 11 16  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 13 28  1  0  0  0  0
 14 29  1  0  0  0  0
 15 30  1  0  0  0  0
 15 31  1  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  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
 18 21  1  0  0  0  0
 18 22  2  0  0  0  0
 20 27  1  0  0  0  0
 20 40  1  0  0  0  0
 20 41  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 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
 24 45  1  0  0  0  0
 24 46  1  0  0  0  0
 25 26  2  0  0  0  0
 25 47  1  0  0  0  0
 26 48  1  0  0  0  0
M  END

$$$$
D00VHN
  -OEChem-10101305032D

 61 61  0     1  0  0  0  0  0999 V2000
    7.1962    5.8450    0.0000 P   0  3  0  0  0  0  0  0  0  0  0  0
    7.1962    4.8450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8301    4.2110    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    6.8450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1962    5.8450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1962    5.8450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3301    3.3450    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    3.3450    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.3301    2.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    4.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3301    3.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.8450    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
    4.5981   -2.6550    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
    5.4641   -2.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -5.1550    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
    2.8660   -5.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.3450    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
    6.3301   -0.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -6.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -7.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5422    1.7624    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9407    2.4527    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2520    2.4276    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8535    1.7373    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1181    4.9276    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7196    4.2373    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7475    3.1330    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4378    2.7344    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8101   -4.2376    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2087   -3.5473    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3860   -2.0724    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9875   -2.7627    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5200   -3.5724    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1215   -4.2627    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6401    2.8081    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6401    3.8819    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6762   -2.7376    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0747   -2.0473    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9441   -5.7376    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3426   -5.0473    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6540   -5.0724    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2554   -5.7627    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0611    0.6550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    0.6550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0611   -0.9650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -0.9650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0781   -7.2376    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4766   -6.5473    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2101    4.2110    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -6.6181    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -7.4650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    5.8862    6.3819    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  1  0  0  0  0
  2 11  1  0  0  0  0
  3 12  1  0  0  0  0
  3 55  1  0  0  0  0
  4 59  1  0  0  0  0
  5 60  1  0  0  0  0
  6 61  1  0  0  0  0
  7  8  1  0  0  0  0
  7 41  1  0  0  0  0
  7 42  1  0  0  0  0
  8  9  1  0  0  0  0
  8 11  1  0  0  0  0
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  9 10  1  0  0  0  0
  9 27  1  0  0  0  0
  9 28  1  0  0  0  0
 10 13  1  0  0  0  0
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 11 31  1  0  0  0  0
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 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 18  1  0  0  0  0
 16 39  1  0  0  0  0
 16 40  1  0  0  0  0
 17 19  1  0  0  0  0
 17 43  1  0  0  0  0
 17 44  1  0  0  0  0
 18 20  1  0  0  0  0
 18 45  1  0  0  0  0
 18 46  1  0  0  0  0
 19 23  2  0  0  0  0
 19 24  1  0  0  0  0
 20 25  1  0  0  0  0
 20 47  1  0  0  0  0
 20 48  1  0  0  0  0
 21 23  1  0  0  0  0
 21 49  1  0  0  0  0
 22 24  2  0  0  0  0
 22 50  1  0  0  0  0
 23 51  1  0  0  0  0
 24 52  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 56  1  0  0  0  0
 26 57  1  0  0  0  0
 26 58  1  0  0  0  0
M  CHG  1   1   1
M  END

$$$$
D00VHS
  -OEChem-04152110272D

 30 32  0     0  0  0  0  0  0999 V2000
    7.8830    1.9734    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.4608    0.7373    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0740   -2.6144    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5740    2.9244    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2650    1.9734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0740    1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3139    1.6644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0740    0.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5740    2.9244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1060    0.6862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5708    2.3335    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9400   -0.1144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2080   -0.1144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1550    0.3772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6197    2.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9400   -1.1144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2080   -1.1144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4118    1.0463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0740   -1.6144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5668    0.2713    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6997    2.9399    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2096    3.4260    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4770    0.1956    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6710    0.1956    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0260   -0.2293    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1590    2.4393    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4770   -1.4244    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6710   -1.4244    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.1522    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6109   -2.9244    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 18  1  0  0  0  0
  2 29  1  0  0  0  0
  3 19  1  0  0  0  0
  3 30  1  0  0  0  0
  4  9  2  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  5  9  1  0  0  0  0
  6  8  1  0  0  0  0
  7 10  2  0  0  0  0
  7 11  1  0  0  0  0
  8 12  2  0  0  0  0
  8 13  1  0  0  0  0
  9 22  1  0  0  0  0
 10 14  1  0  0  0  0
 10 20  1  0  0  0  0
 11 15  2  0  0  0  0
 11 21  1  0  0  0  0
 12 16  1  0  0  0  0
 12 23  1  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 25  1  0  0  0  0
 15 18  1  0  0  0  0
 15 26  1  0  0  0  0
 16 19  2  0  0  0  0
 16 27  1  0  0  0  0
 17 19  1  0  0  0  0
 17 28  1  0  0  0  0
M  END

$$$$
D00VHW
  -OEChem-10101305022D

 51 54  0     1  0  0  0  0  0999 V2000
    9.7942    1.0000    0.0000 O   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
    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
    6.3301    1.0000    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
    6.3301   -1.0000    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   -0.5000    0.0000 C   0  0  3  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
    9.7942   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    0.5000    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
    3.7320    0.5000    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
   11.5542   -1.0347    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
   11.5542    1.0347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4603   -0.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4603    0.5208    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   -1.0000    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
    5.4641    1.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8535   -0.3923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2520   -1.0826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7287    1.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9316    1.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9316   -1.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7287   -1.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8067    0.3923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4082    1.0826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6636   -1.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4607   -1.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282   -1.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9966    1.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    9.3957   -1.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1928   -1.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7162    1.0826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3176    0.3923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5470   -1.6546    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.6200    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
   11.5470    1.6546    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.9960   -0.8329    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.9960    0.8329    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    1.4631   -0.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  1  0  0  0  0
  1 15  1  0  0  0  0
  2  6  1  0  0  0  0
  2  7  1  0  0  0  0
  2  8  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3 10  1  0  0  0  0
  3 25  1  0  0  0  0
  4  7  1  0  0  0  0
  4 26  1  0  0  0  0
  4 27  1  0  0  0  0
  5  6  1  0  0  0  0
  5 28  1  0  0  0  0
  5 29  1  0  0  0  0
  6 32  1  0  0  0  0
  6 33  1  0  0  0  0
  7 30  1  0  0  0  0
  7 31  1  0  0  0  0
  8  9  1  0  0  0  0
  8 34  1  0  0  0  0
  8 35  1  0  0  0  0
  9 11  1  0  0  0  0
  9 12  1  0  0  0  0
  9 36  1  0  0  0  0
 10 14  1  0  0  0  0
 10 37  1  0  0  0  0
 10 38  1  0  0  0  0
 11 13  1  0  0  0  0
 11 39  1  0  0  0  0
 11 40  1  0  0  0  0
 12 41  1  0  0  0  0
 12 42  1  0  0  0  0
 13 15  1  0  0  0  0
 13 16  2  0  0  0  0
 14 17  2  0  0  0  0
 14 18  1  0  0  0  0
 15 19  2  0  0  0  0
 16 20  1  0  0  0  0
 16 43  1  0  0  0  0
 17 22  1  0  0  0  0
 17 44  1  0  0  0  0
 18 23  2  0  0  0  0
 18 45  1  0  0  0  0
 19 21  1  0  0  0  0
 19 46  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
 22 24  2  0  0  0  0
 22 49  1  0  0  0  0
 23 24  1  0  0  0  0
 23 50  1  0  0  0  0
 24 51  1  0  0  0  0
M  END

$$$$
D00VJY
  -OEChem-10191522312D

 27 26  0     0  0  0  0  0  0999 V2000
    8.9282   -0.2500    0.0000 O   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
    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
    3.7320   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0656   -0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8626   -0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9966    0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1996    0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7287    0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9316    0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3335   -0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1306   -0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7976   -0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5947   -0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2646    0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4675    0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4607    0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6636    0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900    0.2869    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -0.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   -0.7869    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651    0.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
  1 27  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2 10  1  0  0  0  0
  2 11  1  0  0  0  0
  3  5  1  0  0  0  0
  3 12  1  0  0  0  0
  3 13  1  0  0  0  0
  4  6  1  0  0  0  0
  4 14  1  0  0  0  0
  4 15  1  0  0  0  0
  5  7  1  0  0  0  0
  5 16  1  0  0  0  0
  5 17  1  0  0  0  0
  6  8  1  0  0  0  0
  6 18  1  0  0  0  0
  6 19  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 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
  9 26  1  0  0  0  0
M  END

$$$$
D00VKB
  -OEChem-10101305022D

 42 41  0     1  0  0  0  0  0999 V2000
    5.4641    0.1830    0.0000 S   0  0  3  0  0  0  0  0  0  0  0  0
    2.0000   -0.8170    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.3660    0.5490    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.3660   -1.1830    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.1830    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.1830    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942   -0.3170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    0.1830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603    0.1830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -0.3170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5263   -0.3170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    0.1830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3923    0.1830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.3170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2583   -0.3170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1244    0.1830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.3170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.2617    0.6580    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   11.1278   -0.7919    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    6.7287   -0.7919    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.8598   -0.7919    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.6569   -0.7919    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.4344   -0.3539    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.6613    0.4930    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.8144    0.7199    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.9966   -0.7919    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  2  0  0  0  0
  1 14  1  0  0  0  0
  1 17  1  0  0  0  0
  2 19  1  0  0  0  0
  3 19  1  0  0  0  0
  4 19  1  0  0  0  0
  6 18  2  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 11  1  0  0  0  0
  9 24  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 14  1  0  0  0  0
 12 30  1  0  0  0  0
 12 31  1  0  0  0  0
 13 15  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 38  1  0  0  0  0
 16 39  1  0  0  0  0
 16 40  1  0  0  0  0
 17 18  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
M  END

$$$$
D00VKV
  -OEChem-10101305032D

 40 42  0     0  0  0  0  0  0999 V2000
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    3.5000    0.5670    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0000   -0.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1340   -0.7990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8660   -0.7990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8660   -1.7990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1340   -1.7990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0000    1.4330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5000    0.5670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0000   -2.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9397    0.0430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000    2.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.4330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5000    2.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7687   -0.5162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5567    0.0995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.4750    1.0345    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4750    1.8315    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.6077   -0.0436    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6015   -2.7740    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3985   -2.7740    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0826    2.5111    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3923    2.9096    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5250    1.8315    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5250    1.0345    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6077    2.9096    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    7.1527   -0.0714    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5614    1.5532    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  3  1  0  0  0  0
  2  8  1  0  0  0  0
  2  9  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3 11  1  0  0  0  0
  4  7  1  0  0  0  0
  4 18  1  0  0  0  0
  4 19  1  0  0  0  0
  5  6  1  0  0  0  0
  5 20  1  0  0  0  0
  5 21  1  0  0  0  0
  6 10  1  0  0  0  0
  6 24  1  0  0  0  0
  6 25  1  0  0  0  0
  7 10  1  0  0  0  0
  7 22  1  0  0  0  0
  7 23  1  0  0  0  0
  8 12  1  0  0  0  0
  8 26  1  0  0  0  0
  8 27  1  0  0  0  0
  9 13  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 15  2  0  0  0  0
 12 14  1  0  0  0  0
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 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 38  1  0  0  0  0
 16 17  2  0  0  0  0
 16 39  1  0  0  0  0
 17 40  1  0  0  0  0
M  END

$$$$
D00VMO
  -OEChem-10191521502D

 56 58  0     1  0  0  0  0  0999 V2000
   13.3244    0.3598    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    9.7942   -3.6160    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.6160    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.6160    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.8840    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.6160    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942    2.3840    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    0.8840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4282    2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    1.8840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.6603    0.8840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.3301    0.3840    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   10.6603    1.8840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.3840    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.0622    0.3840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    0.8840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942   -0.6160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    3.6160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4282    2.7501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5542    0.3493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.8840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5542    2.4186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603   -1.1160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282   -1.1160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4603    0.8632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4603    1.9048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603   -2.1160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282   -2.1160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.3840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942   -2.6160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1182    2.2131    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8626    1.3589    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0656    1.3589    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    0.0740    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    9.2382    4.1530    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3913    3.9260    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4282    2.1301    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1306    1.3589    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3335    1.3589    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5470   -0.2706    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5470    3.0386    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1972   -0.8060    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3913   -0.8060    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.9960    2.2169    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7932   -0.9260    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0611   -0.9260    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1972   -2.4260    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3913   -2.4260    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 27  1  0  0  0  0
  2 32  1  0  0  0  0
  3 14  1  0  0  0  0
  3 53  1  0  0  0  0
 16  4  1  1  0  0  0
  4 54  1  0  0  0  0
  5 31  1  0  0  0  0
  6 31  2  0  0  0  0
  7 10  2  0  0  0  0
  7 15  1  0  0  0  0
  8 10  1  0  0  0  0
  8 11  2  0  0  0  0
  8 17  1  0  0  0  0
  9 10  1  0  0  0  0
  9 20  1  0  0  0  0
  9 21  1  0  0  0  0
  9 33  1  0  0  0  0
 11 12  1  0  0  0  0
 11 19  1  0  0  0  0
 12 15  2  0  0  0  0
 12 22  1  0  0  0  0
 13 14  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 18  1  0  0  0  0
 14 36  1  0  0  0  0
 15 24  1  0  0  0  0
 16 23  1  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 39  1  0  0  0  0
 19 25  2  0  0  0  0
 19 26  1  0  0  0  0
 20 42  1  0  0  0  0
 20 43  1  0  0  0  0
 20 44  1  0  0  0  0
 21 40  1  0  0  0  0
 21 41  1  0  0  0  0
 21 45  1  0  0  0  0
 22 27  2  0  0  0  0
 22 48  1  0  0  0  0
 23 31  1  0  0  0  0
 23 46  1  0  0  0  0
 23 47  1  0  0  0  0
 24 28  2  0  0  0  0
 24 49  1  0  0  0  0
 25 29  1  0  0  0  0
 25 50  1  0  0  0  0
 26 30  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 32  2  0  0  0  0
 29 55  1  0  0  0  0
 30 32  1  0  0  0  0
 30 56  1  0  0  0  0
M  CHG  1   5  -1
M  END

$$$$
D00VMX
 OpenBabel06211915332D

 38 41  0  0  0  0  0  0  0  0999 V2000
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   -3.4641   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5981   -3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7321   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7321   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5981   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8660   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8660   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8660    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
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 10  9  2  0  0  0  0
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 23 18  1  0  0  0  0
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 27 22  1  0  0  0  0
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 29 30  2  0  0  0  0
 30  9  1  0  0  0  0
 30 35  1  0  0  0  0
 32 33  1  0  0  0  0
 32 34  2  0  0  0  0
 35 36  1  0  0  0  0
 35 37  1  0  0  0  0
 35 38  1  0  0  0  0
M  END

$$$$
D00VNC
  -OEChem-10101305022D

 81 85  0     1  0  0  0  0  0999 V2000
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 20  1  1  6  0  0  0
  1 80  1  0  0  0  0
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 11 21  2  0  0  0  0
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 13 14  1  0  0  0  0
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 13 40  1  6  0  0  0
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 14 25  1  0  0  0  0
 14 31  1  6  0  0  0
 15 21  1  0  0  0  0
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 16 23  1  0  0  0  0
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 17 18  1  0  0  0  0
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 18 48  1  0  0  0  0
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 20 23  1  0  0  0  0
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 21 53  1  0  0  0  0
 22 54  1  0  0  0  0
 22 55  1  0  0  0  0
 22 56  1  0  0  0  0
 23 57  1  0  0  0  0
 23 58  1  0  0  0  0
 24 26  1  0  0  0  0
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 24 60  1  0  0  0  0
 25 28  1  0  0  0  0
 25 61  1  0  0  0  0
 25 62  1  0  0  0  0
 26 28  1  0  0  0  0
 26 32  1  0  0  0  0
 26 33  1  0  0  0  0
 28 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 71  1  0  0  0  0
 31 72  1  0  0  0  0
 31 73  1  0  0  0  0
 32 74  1  0  0  0  0
 32 75  1  0  0  0  0
 32 76  1  0  0  0  0
 33 77  1  0  0  0  0
 33 78  1  0  0  0  0
 33 79  1  0  0  0  0
M  END

$$$$
D00VOK
 OpenBabel06211915332D

 28 30  0  0  0  0  0  0  0  0999 V2000
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    0.8660   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -1.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5981    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.8660   -4.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 14  1  0  0  0  0
 12  7  1  0  0  0  0
 12 13  1  0  0  0  0
 14 15  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
 18 19  1  0  0  0  0
 19 20  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 22  2  0  0  0  0
 22 16  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
M  END

$$$$
D00VQZ
  -OEChem-10101305032D

 21 21  0     0  0  0  0  0  0999 V2000
    4.5981    0.9400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.5600    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.5600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.9400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.9400    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.0600    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    3.7320    2.4400    0.0000 N   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
    3.7320   -0.5600    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   -1.5600    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
    3.7320    1.4400    0.0000 C   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
    4.2690   -0.2500    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
    4.2690   -1.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291    1.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951    2.7500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    3.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 14  2  0  0  0  0
  2  6  1  0  0  0  0
  3  6  2  0  0  0  0
  4  7  1  0  0  0  0
  4 21  1  0  0  0  0
  5  8  1  0  0  0  0
  5 14  1  0  0  0  0
  5 19  1  0  0  0  0
  6 11  1  0  0  0  0
  7 14  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 15  1  0  0  0  0
 10 13  2  0  0  0  0
 10 16  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 12 17  1  0  0  0  0
 13 18  1  0  0  0  0
M  CHG  2   2  -1   6   1
M  END

$$$$
D00VRV
  -OEChem-10191521312D

 49 52  0     1  0  0  0  0  0999 V2000
    8.0081   -2.3697    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.0116    0.8669    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5437    0.8667    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    6.5317   -3.3235    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8718    2.3703    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5277   -0.1748    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.6616   -0.6748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3937   -0.6748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7436    0.8736    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.6457    1.3944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3937   -1.6748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6616   -1.6748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5277   -2.1748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7516   -0.1680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5437   -3.2164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4155    1.3566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8757    1.3703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0116   -2.4532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7516   -2.1817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6457   -3.7441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7436   -3.2233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0038    2.8669    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7359    2.8736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    3.8736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    3.8669    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2670    0.2445    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0043   -0.7825    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6057   -0.0922    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7424    1.4936    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0466    1.8673    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2484    1.8704    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2183   -0.4842    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7192    0.8161    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9560    1.6604    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1117    1.8971    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2183   -1.8655    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8177   -3.8736    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6481   -4.3641    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2055   -3.5312    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3929    2.9722    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7940    2.2835    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9502    2.2918    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3460    2.9836    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3520    3.8760    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6200    3.8693    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9976    4.4869    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3800    3.8645    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7296    4.4936    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1120    3.8712    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 18  1  0  0  0  0
  2 17  2  0  0  0  0
  3  6  1  0  0  0  0
  3 10  1  0  0  0  0
  3 16  1  0  0  0  0
  4 15  1  0  0  0  0
  4 18  1  0  0  0  0
  4 37  1  0  0  0  0
  5 17  1  0  0  0  0
  5 22  1  0  0  0  0
  5 23  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6 26  1  1  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 27  1  0  0  0  0
  8 28  1  0  0  0  0
  9 10  1  0  0  0  0
  9 14  1  0  0  0  0
  9 17  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 13  1  0  0  0  0
 11 18  2  0  0  0  0
 12 13  2  0  0  0  0
 12 19  1  0  0  0  0
 13 15  1  0  0  0  0
 14 32  1  0  0  0  0
 15 20  2  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
 19 21  2  0  0  0  0
 19 36  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  1  0  0  0  0
 22 40  1  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
 23 43  1  0  0  0  0
 24 44  1  0  0  0  0
 24 48  1  0  0  0  0
 24 49  1  0  0  0  0
 25 45  1  0  0  0  0
 25 46  1  0  0  0  0
 25 47  1  0  0  0  0
M  END

$$$$
D00VSQ
          09040900502D 1   1.00000     0.00000     0

 28 31  0     0  0            999 V2000
    5.2292    1.0625    0.0000 O   0  0  0  0  0  0           0  0  0
    5.8459    0.7083    0.0000 P   0  0  3  0  0  0           0  0  0
    5.8443    1.4195    0.0000 O   0  0  0  0  0  0           0  0  0
    4.4459   -1.7084    0.0000 C   0  0  0  0  0  0           0  0  0
    3.7084   -1.7084    0.0000 N   0  0  0  0  0  0           0  0  0
    4.8834   -2.1459    0.0000 C   0  0  0  0  0  0           0  0  0
    4.0959   -3.2084    0.0000 N   0  0  0  0  0  0           0  0  0
    4.7959   -1.1084    0.0000 N   0  0  3  0  0  0           0  0  0
    3.2667   -2.1792    0.0000 C   0  0  0  0  0  0           0  0  0
    4.7709   -2.8667    0.0000 C   0  0  0  0  0  0           0  0  0
    3.4084   -2.8834    0.0000 C   0  0  0  0  0  0           0  0  0
    2.5834   -1.9417    0.0000 C   0  0  0  0  0  0           0  0  0
    5.4959    0.1041    0.0000 N   0  0  3  0  0  0           0  0  0
    5.4959   -1.1084    0.0000 C   0  0  0  0  0  0           0  0  0
    4.4542   -0.5084    0.0000 C   0  0  0  0  0  0           0  0  0
    2.8584   -3.3584    0.0000 C   0  0  0  0  0  0           0  0  0
    2.0334   -2.4167    0.0000 C   0  0  0  0  0  0           0  0  0
    4.7959    0.1041    0.0000 C   0  0  0  0  0  0           0  0  0
    5.8459   -0.5084    0.0000 C   0  0  0  0  0  0           0  0  0
    5.5584   -1.8834    0.0000 C   0  0  0  0  0  0           0  0  0
    2.1792   -3.1292    0.0000 C   0  0  0  0  0  0           0  0  0
    1.3667   -2.1834    0.0000 Cl  0  0  0  0  0  0           0  0  0
    5.3334   -3.3209    0.0000 C   0  0  0  0  0  0           0  0  0
    6.1209   -2.3334    0.0000 C   0  0  0  0  0  0           0  0  0
    6.0167   -3.0584    0.0000 C   0  0  0  0  0  0           0  0  0
    6.5542    0.7073    0.0000 O   0  0  0  0  0  0           0  0  0
    6.9093    1.3202    0.0000 C   0  0  0  0  0  0           0  0  0
    6.4569    1.7750    0.0000 C   0  0  0  0  0  0           0  0  0
  5  4  2  0     0  0
  6  4  1  0     0  0
  7 10  1  0     0  0
  8  4  1  0     0  0
  9  5  1  0     0  0
 10  6  2  0     0  0
 11  9  2  0     0  0
 12  9  1  0     0  0
 13 18  1  0     0  0
 14  8  1  0     0  0
 15  8  1  0     0  0
 16 11  1  0     0  0
 17 12  2  0     0  0
 18 15  1  0     0  0
 19 14  1  0     0  0
 20  6  1  0     0  0
 21 17  1  0     0  0
 22 17  1  0     0  0
 23 10  1  0     0  0
  2 13  1  0     0  0
 24 20  2  0     0  0
 25 24  1  0     0  0
 13 19  1  0     0  0
  7 11  1  0     0  0
 23 25  2  0     0  0
 21 16  2  0     0  0
  2  1  2  0     0  0
  2 26  1  0     0  0
  3  2  1  0     0  0
 26 27  1  0     0  0
  3 28  1  0     0  0
M  END

$$$$
D00VUO
  -OEChem-10101305032D

 33 35  0     0  0  0  0  0  0999 V2000
    2.8660   -0.0591    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9887    2.0591    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4103   -1.8638    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9939   -1.0591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.5591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4103   -0.2544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.5591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.0591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.0591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7210    0.6961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.5591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.5591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6995    0.9024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3673    0.1581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0102    1.8529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3458    0.3643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.5591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6565    1.3148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1593   -2.4307    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9477   -2.1731    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4548   -1.4738    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4548   -0.6444    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.5609    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.6791    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3069    1.1576    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951   -1.8691    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1747   -0.4313    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5961    2.3144    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7599   -0.0972    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -0.0222    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -0.8691    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   -1.0960    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2632    1.4427    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 15  1  0  0  0  0
  2 18  2  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3 19  1  0  0  0  0
  3 20  1  0  0  0  0
  4  6  1  0  0  0  0
  4 21  1  0  0  0  0
  4 22  1  0  0  0  0
  5  7  2  0  0  0  0
  5  9  1  0  0  0  0
  6  7  1  0  0  0  0
  6 10  2  0  0  0  0
  7  8  1  0  0  0  0
  8 11  2  0  0  0  0
  8 23  1  0  0  0  0
  9 12  2  0  0  0  0
  9 24  1  0  0  0  0
 10 13  1  0  0  0  0
 10 25  1  0  0  0  0
 11 12  1  0  0  0  0
 12 26  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
 14 16  2  0  0  0  0
 14 27  1  0  0  0  0
 15 28  1  0  0  0  0
 16 18  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
M  END

$$$$
D00VUT
  -OEChem-10101305022D

 63 67  0     1  0  0  0  0  0999 V2000
    4.2434   -5.4165    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.4608   -1.1949    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7410    2.3525    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    3.9470    0.1434    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    5.4822    1.3865    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.6057    1.9048    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.0044    3.3351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1869    0.3419    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9640    0.9712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1380    1.5446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0335    0.5501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1503    2.7435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1550   -0.8348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1489    2.6911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6963    3.6345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4118   -1.5039    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.2410    4.4731    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 16  2  1  1  0  0  0
  2 53  1  0  0  0  0
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 16 48  1  0  0  0  0
 17 23  1  0  0  0  0
 17 49  1  0  0  0  0
 18 22  1  0  0  0  0
 18 50  1  0  0  0  0
 19 24  2  0  0  0  0
 19 51  1  0  0  0  0
 20 25  2  0  0  0  0
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 22 29  2  0  0  0  0
 22 55  1  0  0  0  0
 23 28  2  0  0  0  0
 23 54  1  0  0  0  0
 24 28  1  0  0  0  0
 24 56  1  0  0  0  0
 25 29  1  0  0  0  0
 25 57  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 59  1  0  0  0  0
 28 61  1  0  0  0  0
 29 60  1  0  0  0  0
 30 32  2  0  0  0  0
 30 62  1  0  0  0  0
 31 32  1  0  0  0  0
 31 63  1  0  0  0  0
M  END

$$$$
D00VVB
  -OEChem-10101305022D

 48 48  0     0  0  0  0  0  0999 V2000
    5.4641   -1.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    4.2500    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
    5.4641    2.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    4.7500    0.0000 N   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
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    4.5981   -2.7500    0.0000 C   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
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    2.0000   -6.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.0622    6.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    6.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  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 33  1  0  0  0  0
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 13 14  2  0  0  0  0
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 17 40  1  0  0  0  0
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 20 21  1  0  0  0  0
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 22 46  1  0  0  0  0
 22 47  1  0  0  0  0
 22 48  1  0  0  0  0
M  END

$$$$
D00VWN
  -OEChem-10191521482D

 27 26  0     0  0  0  0  0  0999 V2000
    2.0000   -0.4400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.3301    0.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -0.4400    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
    4.5981    1.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282   -0.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    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
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    4.5981    1.6800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1 11  2  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2 12  1  0  0  0  0
  2 13  1  0  0  0  0
  3  5  1  0  0  0  0
  3 14  1  0  0  0  0
  3 15  1  0  0  0  0
  4  7  1  0  0  0  0
  4  8  2  0  0  0  0
  5  6  2  0  0  0  0
  5 16  1  0  0  0  0
  6  9  1  0  0  0  0
  6 10  1  0  0  0  0
  7 17  1  0  0  0  0
  7 18  1  0  0  0  0
  7 19  1  0  0  0  0
  8 11  1  0  0  0  0
  8 26  1  0  0  0  0
  9 20  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 24  1  0  0  0  0
 10 25  1  0  0  0  0
 11 27  1  0  0  0  0
M  END

$$$$
D00VWR
  -OEChem-10101305022D

 24 24  0     0  0  0  0  0  0999 V2000
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    4.2601   -1.6307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3424    0.6126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5790    1.6307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.4072    1.2292    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1454    1.3785    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8312    2.1971    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0126    1.8829    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  7  2  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3  6  1  0  0  0  0
  3  7  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  9  1  0  0  0  0
  5 15  1  0  0  0  0
  5 16  1  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
  8 17  1  0  0  0  0
  8 18  1  0  0  0  0
  9 19  1  0  0  0  0
  9 20  1  0  0  0  0
  9 21  1  0  0  0  0
 10 22  1  0  0  0  0
 10 23  1  0  0  0  0
 10 24  1  0  0  0  0
M  END

$$$$
D00VXE
  -OEChem-10101305022D

 51 56  0     0  0  0  0  0  0999 V2000
    4.6660   -3.4128    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000    0.0872    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321    0.0872    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660   -1.4128    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321    1.0872    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2231    2.9706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3683    2.5355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6959    2.5355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6959    1.5700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3683    1.5700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2231    1.9253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321    2.8383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3175    3.4474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2051    3.0183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.5321   -2.9128    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000   -2.9128    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9061   -1.3781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4260   -1.3781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9061   -3.4474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4260   -3.4474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.8920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3321   -1.8920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.9336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3321   -2.9336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3573    3.5760    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3138    3.1531    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1034    2.7183    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5668    1.4093    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8166    2.1049    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5803    0.9874    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9788    1.6777    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0853    1.6777    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4838    0.9874    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6863    2.6274    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    5.6269    3.9847    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7923    3.7770    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9020    3.3358    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    7.8678   -3.2457    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 15  2  0  0  0  0
  3  5  1  0  0  0  0
  3 15  1  0  0  0  0
  3 43  1  0  0  0  0
  4 15  1  0  0  0  0
  4 16  1  0  0  0  0
  4 17  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
  6 11  1  0  0  0  0
  6 13  1  0  0  0  0
  6 14  1  0  0  0  0
  6 28  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 29  1  0  0  0  0
  8  9  1  0  0  0  0
  8 12  1  0  0  0  0
  8 13  1  0  0  0  0
  8 30  1  0  0  0  0
  9 35  1  0  0  0  0
  9 36  1  0  0  0  0
 10 33  1  0  0  0  0
 10 34  1  0  0  0  0
 11 31  1  0  0  0  0
 11 32  1  0  0  0  0
 12 41  1  0  0  0  0
 12 42  1  0  0  0  0
 13 39  1  0  0  0  0
 13 40  1  0  0  0  0
 14 37  1  0  0  0  0
 14 38  1  0  0  0  0
 16 18  1  0  0  0  0
 16 21  2  0  0  0  0
 17 19  1  0  0  0  0
 17 20  2  0  0  0  0
 18 23  2  0  0  0  0
 19 22  2  0  0  0  0
 20 24  1  0  0  0  0
 20 44  1  0  0  0  0
 21 25  1  0  0  0  0
 21 45  1  0  0  0  0
 22 26  1  0  0  0  0
 22 46  1  0  0  0  0
 23 27  1  0  0  0  0
 23 47  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 48  1  0  0  0  0
 26 50  1  0  0  0  0
 27 51  1  0  0  0  0
M  END

$$$$
D00VXM
  -OEChem-10191522062D

 30 30  0     0  0  0  0  0  0999 V2000
    3.7320   -4.4050    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.4050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    3.0950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    4.0950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    3.0950    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.4050    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
    5.4641    2.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7320   -3.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3860    1.6776    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    1.4631   -1.0950    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    5.1350   -3.2150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    2.7850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    4.4050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 16  1  0  0  0  0
  2  7  1  0  0  0  0
  2  9  1  0  0  0  0
  3 12  2  0  0  0  0
  4  5  1  0  0  0  0
  4 30  1  0  0  0  0
  5 12  1  0  0  0  0
  5 29  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6 17  1  0  0  0  0
  6 18  1  0  0  0  0
  7 19  1  0  0  0  0
  7 20  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 10  2  0  0  0  0
  9 11  1  0  0  0  0
 10 13  1  0  0  0  0
 10 14  1  0  0  0  0
 11 15  2  0  0  0  0
 11 23  1  0  0  0  0
 13 16  2  0  0  0  0
 13 24  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
 15 28  1  0  0  0  0
M  END

$$$$
D00VXZ
          04021001202D 1   1.00000     0.00000     0

 15 16  0     0  0            999 V2000
    4.3000    0.9375    0.0000 C   0  0  0  0  0  0           0  0  0
    4.3000    0.2333    0.0000 C   0  0  0  0  0  0           0  0  0
    4.9037   -0.1125    0.0000 C   0  0  0  0  0  0           0  0  0
    5.5115    0.2333    0.0000 C   0  0  0  0  0  0           0  0  0
    5.5086    0.9435    0.0000 C   0  0  3  0  0  0           0  0  0
    4.9037    1.2958    0.0000 C   0  0  0  0  0  0           0  0  0
    4.9037    1.9042    0.0000 O   0  0  0  0  0  0           0  0  0
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    6.0051    1.7010    0.0000 C   0  0  0  0  0  0           0  0  0
    5.6544    2.3162    0.0000 C   0  0  0  0  0  0           0  0  0
    6.0055    2.9223    0.0000 C   0  0  0  0  0  0           0  0  0
    6.7062    2.9185    0.0000 C   0  0  0  0  0  0           0  0  0
    7.0622    2.3093    0.0000 C   0  0  0  0  0  0           0  0  0
    4.9498    2.3163    0.0000 Cl  0  0  0  0  0  0           0  0  0
    6.7159    1.6939    0.0000 C   0  0  0  0  0  0           0  0  0
  6  7  2  0     0  0
  1  2  1  0     0  0
  5  8  1  0     0  0
  9 10  2  0     0  0
  1  6  1  0     0  0
 10 11  1  0     0  0
  2  3  1  0     0  0
 11 12  2  0     0  0
  3  4  1  0     0  0
 12 13  1  0     0  0
 13 15  2  0     0  0
 15  9  1  0     0  0
  4  5  1  0     0  0
 10 14  1  0     0  0
  5  6  1  0     0  0
  5  9  1  0     0  0
M  END

$$$$
D00VYC
  -OEChem-10101305022D

173178  0     1  0  0  0  0  0999 V2000
   10.2391    0.3502    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   10.0356   -0.6289    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   14.9595   -5.3782    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.8472   -3.0289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.1012    0.6851    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2715   -4.8713    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.5603    3.4057    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8377    3.4057    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4070    1.6516    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8700    4.9131    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5053   -4.0278    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8916    5.9662    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.6075    5.7304    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2389    5.6888    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2209    2.2509    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.3826   -3.3858    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.6990   -4.5514    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   17.3624   -0.6289    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.0164    1.9689    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.1990    2.7583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.0154   -3.3858    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.7506    2.7446    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.5645   -6.8378    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.1448    3.2030    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   18.1772    3.4696    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   18.6456   -5.6802    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8953    4.5957    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.7871    4.2976    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.5825    6.7819    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.7085   -2.4900    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   20.1649   -6.5118    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   18.6850   -7.4118    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.3076    8.4920    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.9261    7.8750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.6069   -4.0168    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.7083   -4.4152    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   16.1265   -4.8713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.2942   -1.6265    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.4385   -5.3782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6989    1.2381    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   14.6897   -4.4152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1375   -6.0933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1262   -4.8485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9593   -2.5688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1990    2.7583    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   18.2733   -1.8300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1590    0.3502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END

$$$$
D00VYD
  -OEChem-10191522392D

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  2 15  1  0  0  0  0
  2 26  1  0  0  0  0
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  4  5  1  0  0  0  0
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  4  8  1  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 11  2  0  0  0  0
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  7  9  2  0  0  0  0
  7 15  1  0  0  0  0
  8 10  2  0  0  0  0
  8 19  1  0  0  0  0
  9 10  1  0  0  0  0
  9 20  1  0  0  0  0
 10 21  1  0  0  0  0
 11 13  1  0  0  0  0
 11 22  1  0  0  0  0
 12 14  2  0  0  0  0
 12 23  1  0  0  0  0
 13 16  2  0  0  0  0
 14 16  1  0  0  0  0
 14 24  1  0  0  0  0
 16 25  1  0  0  0  0
M  END

$$$$
D00VZA
  -OEChem-10101305032D

 31 32  0     0  0  0  0  0  0999 V2000
    2.5369   -2.5950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -3.5950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.4030   -1.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -1.0950    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
    5.1350    1.9050    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
    4.2690   -2.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0010    3.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    2.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    3.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.8671    1.2850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    8.2700    2.0950    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0000   -2.2850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8059   -3.9050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  1  0  0  0  0
  1 30  1  0  0  0  0
  2 13  1  0  0  0  0
  2 31  1  0  0  0  0
  3 11  2  0  0  0  0
  4 20  3  0  0  0  0
  5  7  1  0  0  0  0
  5  8  2  0  0  0  0
  5  9  1  0  0  0  0
  6 11  1  0  0  0  0
  6 15  2  0  0  0  0
  6 16  1  0  0  0  0
  7 10  2  0  0  0  0
  7 21  1  0  0  0  0
  8 12  1  0  0  0  0
  8 22  1  0  0  0  0
  9 14  2  0  0  0  0
  9 23  1  0  0  0  0
 10 11  1  0  0  0  0
 10 20  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  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  2  0  0  0  0
 16 26  1  0  0  0  0
 17 19  2  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
 19 29  1  0  0  0  0
M  END

$$$$
D00VZE
  -OEChem-10101305032D

 48 51  0     0  0  0  0  0  0999 V2000
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    4.5092   -1.5527    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
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    2.0000   -3.0010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.4050    2.9301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1371    1.9301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1 14  2  0  0  0  0
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  9 26  1  0  0  0  0
  9 27  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
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 13 34  1  0  0  0  0
 13 35  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  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 19  1  0  0  0  0
 17 41  1  0  0  0  0
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 18 20  1  0  0  0  0
 18 43  1  0  0  0  0
 18 44  1  0  0  0  0
 19 20  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
 20 48  1  0  0  0  0
M  END

$$$$
D00WBS
  -OEChem-10191522102D

 75 78  0     1  0  0  0  0  0999 V2000
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 31 32  1  0  0  0  0
 31 73  1  0  0  0  0
 31 74  1  0  0  0  0
M  END

$$$$
D00WBU
  -OEChem-10101305022D

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 21  7  1  6  0  0  0
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 18  8  1  1  0  0  0
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 40 41  2  0  0  0  0
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 41 72  1  0  0  0  0
M  END

$$$$
D00WEQ
  -OEChem-10111523312D

 31 31  0     1  0  0  0  0  0999 V2000
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 15 30  1  0  0  0  0
 15 31  1  0  0  0  0
M  END

$$$$
D00WEV
  -OEChem-10101305022D

106111  0     1  0  0  0  0  0999 V2000
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M  END

$$$$
D00WFB
  -OEChem-10101305022D

 32 34  0     0  0  0  0  0  0999 V2000
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M  END

$$$$
D00WFQ
  -OEChem-10101305032D

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    3.7320   -3.8325    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7974    0.5591    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  2  0  0  0  0
  2  6  1  0  0  0  0
  3  6  2  0  0  0  0
  4  5  1  0  0  0  0
  4  9  1  0  0  0  0
  4 11  1  0  0  0  0
  5 17  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 10  2  0  0  0  0
  8 12  2  0  0  0  0
  8 14  1  0  0  0  0
 10 15  1  0  0  0  0
 10 18  1  0  0  0  0
 11 13  2  0  0  0  0
 11 19  1  0  0  0  0
 12 16  1  0  0  0  0
 12 20  1  0  0  0  0
 13 17  1  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 16  2  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  CHG  2   2  -1   6   1
M  END

$$$$
D00WFU
  -OEChem-10101305022D

 43 45  0     0  0  0  0  0  0999 V2000
    3.7320   -0.2500    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
    6.3301   -1.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.7500    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
    7.1962   -1.2500    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
    2.0000   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -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
    7.1962   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.3301    1.2500    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
    8.9282   -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
    5.4641    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.7942   -1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.7942   -2.7500    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
    2.8660   -1.1300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   -0.7131    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2460   -2.7500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4860   -2.7500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -0.9400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -1.7869    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.5981   -2.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   10.3312   -1.4400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   10.3312   -3.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    3.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  2  0  0  0  0
  2  6  1  0  0  0  0
  2 11  1  0  0  0  0
  2 33  1  0  0  0  0
  3  7  2  0  0  0  0
  3 11  1  0  0  0  0
  4  8  1  0  0  0  0
  4 11  2  0  0  0  0
  5  6  1  0  0  0  0
  5  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 25  1  0  0  0  0
  7 12  1  0  0  0  0
  7 13  1  0  0  0  0
  8 12  2  0  0  0  0
  8 14  1  0  0  0  0
  9 26  1  0  0  0  0
  9 30  1  0  0  0  0
  9 31  1  0  0  0  0
 10 27  1  0  0  0  0
 10 28  1  0  0  0  0
 10 29  1  0  0  0  0
 12 32  1  0  0  0  0
 13 15  2  0  0  0  0
 13 16  1  0  0  0  0
 14 17  2  0  0  0  0
 14 18  1  0  0  0  0
 15 19  1  0  0  0  0
 15 34  1  0  0  0  0
 16 20  2  0  0  0  0
 16 35  1  0  0  0  0
 17 21  1  0  0  0  0
 17 36  1  0  0  0  0
 18 22  2  0  0  0  0
 18 37  1  0  0  0  0
 19 23  2  0  0  0  0
 19 38  1  0  0  0  0
 20 23  1  0  0  0  0
 20 39  1  0  0  0  0
 21 24  2  0  0  0  0
 21 40  1  0  0  0  0
 22 24  1  0  0  0  0
 22 41  1  0  0  0  0
 23 42  1  0  0  0  0
 24 43  1  0  0  0  0
M  END

$$$$
D00WHC
  MDL     03130714052D 1   1.00000     0.00000     0

 31 35  0     1  0            999 V2000
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    1.4042   -3.1250    0.0000 C   0  0  1  0  0  0           0  0  0
    2.2542   -1.9292    0.0000 C   0  0  0  0  0  0           0  0  0
    3.0667   -1.7917    0.0000 C   0  0  0  0  0  0           0  0  0
    3.4500   -2.5250    0.0000 C   0  0  0  0  0  0           0  0  0
    2.8667   -3.1125    0.0000 C   0  0  0  0  0  0           0  0  0
    1.1417   -3.9125    0.0000 C   0  0  1  0  0  0           0  0  0
    0.7292   -2.6417    0.0000 O   0  0  0  0  0  0           0  0  0
    0.3167   -3.9167    0.0000 C   0  0  1  0  0  0           0  0  0
    3.3542   -1.0292    0.0000 C   0  0  0  0  0  0           0  0  0
    1.7292   -1.3000    0.0000 N   0  0  0  0  0  0           0  0  0
    0.0667   -3.1250    0.0000 C   0  0  1  0  0  0           0  0  0
    2.8292   -0.3917    0.0000 N   0  0  0  0  0  0           0  0  0
    4.1667   -0.8917    0.0000 N   0  0  0  0  0  0           0  0  0
    6.3750    0.9250    0.0000 C   0  0  3  0  0  0           0  0  0
    2.0167   -0.5292    0.0000 C   0  0  0  0  0  0           0  0  0
    5.2750    0.0208    0.0000 C   0  0  0  0  0  0           0  0  0
    5.5625    0.7875    0.0000 N   0  0  0  0  0  0           0  0  0
    4.2625   -2.6417    0.0000 C   0  0  0  0  0  0           0  0  0
    7.0042    1.4500    0.0000 C   0  0  0  0  0  0           0  0  0
    7.1417    0.6333    0.0000 C   0  0  0  0  0  0           0  0  0
    5.7917   -0.6167    0.0000 O   0  0  0  0  0  0           0  0  0
    1.6292   -4.5792    0.0000 O   0  0  0  0  0  0           0  0  0
    4.4542   -0.1167    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.1625   -4.5792    0.0000 O   0  0  0  0  0  0           0  0  0
   -0.7208   -2.8667    0.0000 C   0  0  0  0  0  0           0  0  0
    4.5667   -3.4125    0.0000 C   0  0  0  0  0  0           0  0  0
    4.7750   -2.0000    0.0000 C   0  0  0  0  0  0           0  0  0
    5.5875   -2.1167    0.0000 C   0  0  0  0  0  0           0  0  0
    5.3792   -3.5375    0.0000 C   0  0  0  0  0  0           0  0  0
    5.8917   -2.8917    0.0000 C   0  0  0  0  0  0           0  0  0
  2  1  1  1     0  0
  3  1  1  0     0  0
  4  3  1  0     0  0
  5  6  2  0     0  0
  6  1  1  0     0  0
  7  2  1  0     0  0
  8  2  1  0     0  0
  9  7  1  0     0  0
 10  4  2  0     0  0
 11  3  2  0     0  0
 12  8  1  0     0  0
 13 16  2  0     0  0
 14 10  1  0     0  0
 15 18  1  0     0  0
 16 11  1  0     0  0
 17 24  1  0     0  0
 18 17  1  0     0  0
 19  5  1  0     0  0
 20 15  1  0     0  0
 21 15  1  0     0  0
 22 17  2  0     0  0
  7 23  1  6     0  0
 24 14  1  0     0  0
  9 25  1  6     0  0
 12 26  1  1     0  0
 27 19  2  0     0  0
 28 19  1  0     0  0
 29 28  2  0     0  0
 30 27  1  0     0  0
 31 29  1  0     0  0
  5  4  1  0     0  0
 12  9  1  0     0  0
 10 13  1  0     0  0
 30 31  2  0     0  0
 20 21  1  0     0  0
M  END

$$$$
D00WHO
  -OEChem-04152108532D

 36 38  0     0  0  0  0  0  0999 V2000
    2.5578    1.9656    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.9491    2.3486    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0706   -1.6890    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8411    0.0278    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8830   -0.7430    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3830    1.4477    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9972   -1.9044    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7840   -0.3091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0065    0.6658    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9820   -0.3091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7595    0.6658    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4691   -1.0294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.0190   -1.7277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.0506   -2.8397    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1633   -1.9702    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 17  1  0  0  0  0
  2 13  2  0  0  0  0
  3 19  1  0  0  0  0
  3 21  1  0  0  0  0
  4 19  2  0  0  0  0
  5  8  1  0  0  0  0
  5 10  1  0  0  0  0
  5 14  1  0  0  0  0
  6  9  1  0  0  0  0
  6 13  1  0  0  0  0
  6 16  1  0  0  0  0
  7 12  1  0  0  0  0
  7 14  2  0  0  0  0
  8  9  1  0  0  0  0
  8 12  2  0  0  0  0
  9 23  1  0  0  0  0
  9 24  1  0  0  0  0
 10 11  2  0  0  0  0
 10 15  1  0  0  0  0
 11 13  1  0  0  0  0
 11 17  1  0  0  0  0
 12 19  1  0  0  0  0
 14 25  1  0  0  0  0
 15 18  2  0  0  0  0
 15 26  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 20  2  0  0  0  0
 18 20  1  0  0  0  0
 18 30  1  0  0  0  0
 20 31  1  0  0  0  0
 21 22  1  0  0  0  0
 21 32  1  0  0  0  0
 21 33  1  0  0  0  0
 22 34  1  0  0  0  0
 22 35  1  0  0  0  0
 22 36  1  0  0  0  0
M  END

$$$$
D00WKK
  -OEChem-10101305022D

 50 53  0     1  0  0  0  0  0999 V2000
    6.1688    2.6885    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6688    0.0905    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0000    2.1435    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6688    0.0905    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.6688    0.0905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1688    0.9565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6688    1.8225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4349   -0.5523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3268    1.0301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6688   -0.9095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6688    1.8225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1688    2.6885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3746   -0.2103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2612   -1.5371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1 13  1  0  0  0  0
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  2  7  1  0  0  0  0
  2 37  1  0  0  0  0
  3  6  1  0  0  0  0
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 10 15  2  0  0  0  0
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 11 18  1  0  0  0  0
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 13 33  1  0  0  0  0
 13 36  1  0  0  0  0
 14 34  1  0  0  0  0
 14 35  1  0  0  0  0
 15 21  1  0  0  0  0
 15 38  1  0  0  0  0
 16 22  2  0  0  0  0
 16 39  1  0  0  0  0
 17 24  2  0  0  0  0
 17 41  1  0  0  0  0
 18 25  2  0  0  0  0
 18 40  1  0  0  0  0
 19 42  1  0  0  0  0
 20 43  1  0  0  0  0
 21 23  2  0  0  0  0
 21 44  1  0  0  0  0
 22 23  1  0  0  0  0
 22 45  1  0  0  0  0
 23 46  1  0  0  0  0
 24 26  1  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 50  1  0  0  0  0
 27 49  1  0  0  0  0
M  END

$$$$
D00WMC
  -OEChem-10101305032D

 31 33  0     0  0  0  0  0  0999 V2000
    2.3660    0.1424    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.5526    1.9694    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.3660    0.1424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.8965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.8965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1 11  1  0  0  0  0
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  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
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  4 13  1  0  0  0  0
  4 24  1  0  0  0  0
  5 19  2  0  0  0  0
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  6  7  1  0  0  0  0
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  6 10  1  0  0  0  0
  7 11  2  0  0  0  0
  9 14  1  0  0  0  0
  9 21  1  0  0  0  0
 10 15  2  0  0  0  0
 10 22  1  0  0  0  0
 11 23  1  0  0  0  0
 12 13  1  0  0  0  0
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 12 18  1  0  0  0  0
 14 16  2  0  0  0  0
 14 25  1  0  0  0  0
 15 16  1  0  0  0  0
 15 26  1  0  0  0  0
 16 27  1  0  0  0  0
 17 19  1  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 30  1  0  0  0  0
 20 31  1  0  0  0  0
M  END

$$$$
D00WMS
  -OEChem-10101305022D

 34 34  0     1  0  0  0  0  0999 V2000
    2.0000    0.5670    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    5.4641    2.5670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  9  2  0  0  0  0
  2  3  1  0  0  0  0
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  2 16  1  0  0  0  0
  3  5  1  0  0  0  0
  3  6  1  0  0  0  0
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  4 17  1  0  0  0  0
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 13 15  2  0  0  0  0
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 14 15  1  0  0  0  0
 14 33  1  0  0  0  0
 15 34  1  0  0  0  0
M  END

$$$$
D00WMV
  -OEChem-10191522472D

 68 74  0     0  0  0  0  0  0999 V2000
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    2.8636    3.1379    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7894   -1.7591    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5229    0.9785    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6029   -3.3446    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.1154   -4.7936    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1  5  1  0  0  0  0
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  1 16  2  0  0  0  0
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  3 48  1  0  0  0  0
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  4 49  1  0  0  0  0
  5  9  1  0  0  0  0
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  8 25  2  0  0  0  0
  9 15  2  0  0  0  0
  9 20  1  0  0  0  0
 10 15  1  0  0  0  0
 10 21  2  0  0  0  0
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 17 45  1  0  0  0  0
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 21 55  1  0  0  0  0
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 22 51  1  0  0  0  0
 23 29  1  0  0  0  0
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 23 53  1  0  0  0  0
 24 31  1  0  0  0  0
 24 56  1  0  0  0  0
 25 32  1  0  0  0  0
 25 57  1  0  0  0  0
 26 33  1  0  0  0  0
 26 58  1  0  0  0  0
 27 34  1  0  0  0  0
 27 59  1  0  0  0  0
 28 35  2  0  0  0  0
 28 36  1  0  0  0  0
 29 37  2  0  0  0  0
 29 38  1  0  0  0  0
 30 60  1  0  0  0  0
 31 33  2  0  0  0  0
 31 61  1  0  0  0  0
 32 34  2  0  0  0  0
 32 62  1  0  0  0  0
 33 63  1  0  0  0  0
 34 64  1  0  0  0  0
 35 37  1  0  0  0  0
 35 65  1  0  0  0  0
 36 38  2  0  0  0  0
 36 66  1  0  0  0  0
 37 67  1  0  0  0  0
 38 68  1  0  0  0  0
M  CHG  2   1   1   2   1
M  END

$$$$
D00WNA
  -OEChem-10191522252D

 49 51  0     1  0  0  0  0  0999 V2000
    6.9607    0.0351    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7403    1.1283    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9726   -3.2967    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6063    4.6283    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3903   -2.5922    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4013   -2.8012    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2916   -0.7081    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9836   -3.5057    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.9890   -3.6102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5714   -4.3147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3848   -2.4876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8025   -1.7832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7916   -1.5741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5823   -4.5238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7697   -1.3662    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8742   -0.3717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7403    0.1283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5878   -4.6283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4067   -2.9058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.8193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6063    1.6283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6063    2.6283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4723    3.1283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4723    1.1283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3383    2.6283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3383    1.6283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4723    4.1283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3383    4.6283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6002   -3.4409    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0698   -4.6792    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9358   -4.8163    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0729   -3.9503    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3041   -1.4187    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4381   -1.2816    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3009   -2.1476    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9467   -5.0254    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2305   -1.7811    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9523   -0.4543    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3508    0.2360    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3356   -5.1947    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0423   -2.4042    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3834   -3.8841    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0694    2.9383    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4723    0.5083    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8753    2.9383    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8753    1.3183    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.6483    4.0914    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8753    4.9383    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0283    5.1653    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1 16  1  0  0  0  0
  2 17  1  0  0  0  0
  2 21  1  0  0  0  0
  3 11  2  0  0  0  0
  4 27  2  0  0  0  0
  8  5  1  1  0  0  0
  5 11  1  0  0  0  0
  5 12  1  0  0  0  0
  6  9  1  0  0  0  0
  6 19  2  0  0  0  0
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  8 10  1  0  0  0  0
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 10 30  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
 12 33  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
 14 18  1  0  0  0  0
 14 36  1  0  0  0  0
 15 16  2  0  0  0  0
 15 37  1  0  0  0  0
 16 17  1  0  0  0  0
 17 38  1  0  0  0  0
 17 39  1  0  0  0  0
 18 20  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 42  1  0  0  0  0
 21 22  1  0  0  0  0
 21 24  2  0  0  0  0
 22 23  2  0  0  0  0
 22 43  1  0  0  0  0
 23 25  1  0  0  0  0
 23 27  1  0  0  0  0
 24 26  1  0  0  0  0
 24 44  1  0  0  0  0
 25 26  2  0  0  0  0
 25 45  1  0  0  0  0
 26 46  1  0  0  0  0
 27 28  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

$$$$
D00WOE
  -OEChem-10101305022D

 30 31  0     0  0  0  0  0  0999 V2000
    2.8660   -4.1830    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    3.3170    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.2320    4.1830    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2320    2.4510    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    2.8170    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.1830    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
    2.8660   -1.1830    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
    2.0000    0.3170    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
    2.0000    1.3170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1 18  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2 15  1  0  0  0  0
  5  7  1  0  0  0  0
  5 23  1  0  0  0  0
  6  8  1  0  0  0  0
  6  9  2  0  0  0  0
  6 10  1  0  0  0  0
  7 11  2  0  0  0  0
  7 12  1  0  0  0  0
  8 13  2  0  0  0  0
  8 14  1  0  0  0  0
  9 11  1  0  0  0  0
  9 19  1  0  0  0  0
 10 12  2  0  0  0  0
 10 20  1  0  0  0  0
 11 21  1  0  0  0  0
 12 22  1  0  0  0  0
 13 16  1  0  0  0  0
 13 24  1  0  0  0  0
 14 17  2  0  0  0  0
 14 25  1  0  0  0  0
 15 26  1  0  0  0  0
 15 27  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 18  1  0  0  0  0
 17 30  1  0  0  0  0
M  END

$$$$
D00WOK
  -OEChem-04152108422D

 46 48  0     1  0  0  0  0  0999 V2000
    5.5843    1.6098    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
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    2.0000   -5.2186    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9960    1.5016    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6154    3.7833    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4187    6.4086    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7220    4.8887    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
  1  9  1  0  0  0  0
  1 10  2  0  0  0  0
  2  8  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 38  1  0  0  0  0
 23  6  1  1  0  0  0
  6 39  1  0  0  0  0
  7 26  1  0  0  0  0
  9 43  1  0  0  0  0
 11 30  2  0  0  0  0
 13 44  1  0  0  0  0
 15 45  1  0  0  0  0
 16 46  1  0  0  0  0
 24 18  1  6  0  0  0
 18 27  1  0  0  0  0
 18 28  1  0  0  0  0
 19 28  2  0  0  0  0
 19 29  1  0  0  0  0
 20 27  1  0  0  0  0
 20 31  2  0  0  0  0
 21 30  1  0  0  0  0
 21 31  1  0  0  0  0
 21 42  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
 22 32  1  0  0  0  0
 23 25  1  0  0  0  0
 23 33  1  0  0  0  0
 24 34  1  0  0  0  0
 25 26  1  6  0  0  0
 25 35  1  0  0  0  0
 26 36  1  0  0  0  0
 26 37  1  0  0  0  0
 27 29  2  0  0  0  0
 28 40  1  0  0  0  0
 29 30  1  0  0  0  0
 31 41  1  0  0  0  0
M  END

$$$$
D00WON
  -OEChem-10101305022D

 21 21  0     1  0  0  0  0  0999 V2000
    3.2601   -1.1739    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.0861    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7601    0.3649    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.5691   -0.2229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3479    1.1739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2601   -1.1739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9511   -0.2229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1723    1.1739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3424    1.0694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1355   -0.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8791    0.3141    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5188    1.7699    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7906    1.4457    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1953   -1.7905    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8665   -1.3028    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6739    1.5384    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8079    1.6755    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6707    0.8095    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2776    0.4528    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9590    1.0046    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4072    1.6860    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  7  1  0  0  0  0
  2  7  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
  3  8  1  0  0  0  0
  4  6  1  0  0  0  0
  4 10  1  0  0  0  0
  4 11  1  0  0  0  0
  5  9  1  0  0  0  0
  5 12  1  0  0  0  0
  5 13  1  0  0  0  0
  6 14  1  0  0  0  0
  6 15  1  0  0  0  0
  8 16  1  0  0  0  0
  8 17  1  0  0  0  0
  8 18  1  0  0  0  0
  9 19  1  0  0  0  0
  9 20  1  0  0  0  0
  9 21  1  0  0  0  0
M  END

$$$$
D00WPU
          01300800062D 1   1.00000     0.00000     0

 19 20  0     0  0            999 V2000
    5.2355   -4.6771    0.0000 C   0  0  0  0  0  0           0  0  0
    5.9454   -5.0955    0.0000 N   0  0  0  0  0  0           0  0  0
    6.6606   -4.6858    0.0000 C   0  0  0  0  0  0           0  0  0
    6.6635   -3.8599    0.0000 C   0  0  0  0  0  0           0  0  0
    5.9452   -3.4455    0.0000 C   0  0  0  0  0  0           0  0  0
    5.2329   -3.8576    0.0000 C   0  0  0  0  0  0           0  0  0
    7.3786   -3.4485    0.0000 C   0  0  0  0  0  0           0  0  0
    8.0937   -3.0372    0.0000 C   0  0  0  0  0  0           0  0  0
    8.8089   -2.6258    0.0000 C   0  0  0  0  0  0           0  0  0
    9.5227   -3.0395    0.0000 C   0  0  0  0  0  0           0  0  0
   10.2378   -2.6281    0.0000 C   0  0  0  0  0  0           0  0  0
   10.9516   -3.0418    0.0000 C   0  0  0  0  0  0           0  0  0
   11.6625   -2.6250    0.0000 O   0  0  0  0  0  0           0  0  0
    4.5176   -3.4465    0.0000 O   0  0  0  0  0  0           0  0  0
    4.5159   -2.6215    0.0000 C   0  0  0  0  0  0           0  0  0
    3.8006   -2.2105    0.0000 C   0  0  3  0  0  0           0  0  0
    3.5868   -1.4162    0.0000 C   0  0  0  0  0  0           0  0  0
    2.7903   -1.6313    0.0000 C   0  0  0  0  0  0           0  0  0
    3.0055   -2.4278    0.0000 N   0  0  0  0  0  0           0  0  0
  4  5  1  0     0  0
  9 10  1  0     0  0
  2  3  1  0     0  0
 10 11  1  0     0  0
  5  6  2  0     0  0
 11 12  1  0     0  0
  6  1  1  0     0  0
 12 13  1  0     0  0
  1  2  2  0     0  0
  6 14  1  0     0  0
  4  7  1  0     0  0
 14 15  1  0     0  0
  3  4  2  0     0  0
 15 16  1  0     0  0
 16 17  1  0     0  0
  7  8  3  0     0  0
  8  9  1  0     0  0
 17 18  1  0     0  0
 18 19  1  0     0  0
 19 16  1  0     0  0
M  END

$$$$
D00WSM
  -OEChem-10101305032D

 34 36  0     0  0  0  0  0  0999 V2000
    7.1962    2.4827    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.9827    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    2.4827    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.5173    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    0.9827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.9827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    1.9827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    0.4827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.0173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.4827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.0173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9561    0.4480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.5173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    1.9827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9561    2.5173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.0173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.0173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8622    0.9619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8622    2.0035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.5173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.5173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -0.1373    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -0.8273    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9490   -0.1720    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.1027    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9490    3.1373    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -2.3273    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -2.3273    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3979    0.6498    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3979    2.3156    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.1373    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100    0.0196    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -0.2073    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -1.0543    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1 14  1  0  0  0  0
  2 10  2  0  0  0  0
  3 14  2  0  0  0  0
  4  9  1  0  0  0  0
  4 10  1  0  0  0  0
  4 23  1  0  0  0  0
  5  7  1  0  0  0  0
  5  8  1  0  0  0  0
  5 12  2  0  0  0  0
  6  8  2  0  0  0  0
  6 10  1  0  0  0  0
  6 14  1  0  0  0  0
  7 15  2  0  0  0  0
  8 22  1  0  0  0  0
  9 13  1  0  0  0  0
  9 16  2  0  0  0  0
 11 13  2  0  0  0  0
 11 17  1  0  0  0  0
 11 21  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
 15 19  1  0  0  0  0
 15 26  1  0  0  0  0
 16 20  1  0  0  0  0
 16 27  1  0  0  0  0
 17 20  2  0  0  0  0
 17 28  1  0  0  0  0
 18 19  2  0  0  0  0
 18 29  1  0  0  0  0
 19 30  1  0  0  0  0
 20 31  1  0  0  0  0
 21 32  1  0  0  0  0
 21 33  1  0  0  0  0
 21 34  1  0  0  0  0
M  END

$$$$
D00WSN
  -OEChem-10101305022D

 38 40  0     0  0  0  0  0  0999 V2000
    2.0000   -0.8807    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5211    1.2071    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -0.8807    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6491    3.8807    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    4.2478    2.8626    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.8807    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.8807    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2423    2.9672    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.3807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.8807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.8807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.3807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.3807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.8807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -3.3807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -2.3807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -3.8807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -3.3807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.3301    0.6193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1391    1.2071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8301    2.1581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8301    2.1581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4675   -2.8556    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2646   -2.8556    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3426   -0.9884    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9441   -0.2981    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3894   -1.7730    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7880   -2.4633    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2646    0.0942    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4675    0.0942    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0611   -3.6907    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -2.0707    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9272   -0.5707    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -4.5007    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -3.6907    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7288    1.0155    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1946    2.6597    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
  2 20  1  0  0  0  0
  2 23  1  0  0  0  0
  3 19  2  0  0  0  0
  4  8  1  0  0  0  0
  5  8  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
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  7 19  1  0  0  0  0
  7 34  1  0  0  0  0
  8 23  1  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 12  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 30  1  0  0  0  0
 12 31  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
 14 16  2  0  0  0  0
 15 17  1  0  0  0  0
 15 32  1  0  0  0  0
 16 18  1  0  0  0  0
 16 33  1  0  0  0  0
 17 18  2  0  0  0  0
 17 35  1  0  0  0  0
 18 36  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 21 37  1  0  0  0  0
 22 23  2  0  0  0  0
 22 38  1  0  0  0  0
M  CHG  2   4  -1   8   1
M  END

$$$$
D00WVG
  -OEChem-10101305032D

 33 35  0     0  0  0  0  0  0999 V2000
    5.0778    0.2342    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.8968    1.9568    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4901    1.0432    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7688   -0.7168    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8090    4.3046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    3.7168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6180    3.7168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3090    2.7658    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3090    2.7658    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0778    0.2342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5778   -1.3046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5778   -2.3046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3869   -0.7168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7118   -2.8046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4439   -2.8046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7118   -3.8046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4439   -3.8046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5778   -4.3046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2239    4.7654    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3942    4.7654    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900    4.2538    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.1844    3.4647    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9280    4.2538    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7026    2.6369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3738    2.1492    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8735    0.9784    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9765   -0.9084    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1749   -2.4946    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9808   -2.4946    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1749   -4.1146    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9808   -4.1146    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5778   -4.9246    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
  1 13  1  0  0  0  0
  2  3  1  0  0  0  0
  2  9  2  0  0  0  0
  3 10  1  0  0  0  0
  3 27  1  0  0  0  0
  4 10  2  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 19  1  0  0  0  0
  5 20  1  0  0  0  0
  6  8  1  0  0  0  0
  6 21  1  0  0  0  0
  6 22  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  9  1  0  0  0  0
  8 25  1  0  0  0  0
  8 26  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  2  0  0  0  0
 12 14  2  0  0  0  0
 12 15  1  0  0  0  0
 13 28  1  0  0  0  0
 14 16  1  0  0  0  0
 14 29  1  0  0  0  0
 15 17  2  0  0  0  0
 15 30  1  0  0  0  0
 16 18  2  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 33  1  0  0  0  0
M  END

$$$$
D00WVI
  -OEChem-10191523022D

 41 43  0     0  0  0  0  0  0999 V2000
    2.0000   -2.2500    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   11.5263    2.2500    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    8.0622   -0.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.5263    1.2500    0.0000 N   0  3  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
    9.7942   -0.7500    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
   10.6603   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5263   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    0.7500    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
    6.3301    1.2500    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
   12.3923   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3923    0.7500    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
    3.7320   -0.2500    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
    2.8660   -0.7500    0.0000 C   0  0  0  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
    2.8660   -1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3957   -1.2250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1928   -1.2250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3267    0.2249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5297    0.2249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -1.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1233    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
    7.7331    1.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.9292   -0.5600    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
    6.9501    2.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    2.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7101    2.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -2.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -0.4400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 24  1  0  0  0  0
  2  5  1  0  0  0  0
  3  8  1  0  0  0  0
  3 10  1  0  0  0  0
  3 29  1  0  0  0  0
  4 10  2  0  0  0  0
  4 14  1  0  0  0  0
  5 11  1  0  0  0  0
  5 18  2  0  0  0  0
  6 14  2  0  0  0  0
  6 15  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 25  1  0  0  0  0
  7 26  1  0  0  0  0
  8 27  1  0  0  0  0
  8 28  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
 11 30  1  0  0  0  0
 12 17  2  0  0  0  0
 12 31  1  0  0  0  0
 13 15  2  0  0  0  0
 13 32  1  0  0  0  0
 14 16  1  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 33  1  0  0  0  0
 18 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  1  0  0  0  0
 20 38  1  0  0  0  0
 21 23  2  0  0  0  0
 21 39  1  0  0  0  0
 22 24  2  0  0  0  0
 22 40  1  0  0  0  0
 23 24  1  0  0  0  0
 23 41  1  0  0  0  0
M  CHG  2   2  -1   5   1
M  END

$$$$
D00WYS
  -OEChem-10101305032D

 39 42  0     0  0  0  0  0  0999 V2000
    9.5127   -1.3433    0.0000 S   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
    6.8671   -1.7500    0.0000 N   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
    6.0010   -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
    7.7331   -1.2500    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
    7.7331   -0.2500    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
    8.5991   -1.7500    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
    6.0010    1.7500    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   -2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7036   -2.7445    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
    4.2690   -3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    2.7500    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
    3.4030   -2.7500    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
    9.6818   -2.9524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1818   -2.0864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2700    0.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2700    1.4400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.4400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -0.6300    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
    8.2429   -3.1594    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
    8.2700    3.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    3.0600    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
    6.8671    3.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9340   -3.5188    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7984   -2.0216    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  0  0  0  0
  1 24  1  0  0  0  0
  2 17  1  0  0  0  0
  2 39  1  0  0  0  0
  3  5  2  0  0  0  0
  3  7  1  0  0  0  0
  4  6  2  0  0  0  0
  4  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5  6  1  0  0  0  0
  5 10  1  0  0  0  0
  6 25  1  0  0  0  0
  7  9  2  0  0  0  0
  7 11  1  0  0  0  0
  8 12  2  0  0  0  0
  8 13  1  0  0  0  0
  9 26  1  0  0  0  0
 10 14  2  0  0  0  0
 10 15  1  0  0  0  0
 11 16  2  0  0  0  0
 12 19  1  0  0  0  0
 12 27  1  0  0  0  0
 13 20  2  0  0  0  0
 13 28  1  0  0  0  0
 14 17  1  0  0  0  0
 14 29  1  0  0  0  0
 15 18  2  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 21  2  0  0  0  0
 18 21  1  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 22  1  0  0  0  0
 20 34  1  0  0  0  0
 21 35  1  0  0  0  0
 22 36  1  0  0  0  0
 23 24  2  0  0  0  0
 23 37  1  0  0  0  0
 24 38  1  0  0  0  0
M  END

$$$$
D00WZG
  -OEChem-10101305022D

 40 42  0     0  0  0  0  0  0999 V2000
    2.0000    1.7721    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    3.7721    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3175   -1.7723    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4920    3.8068    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981    2.2513    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.2721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    3.2721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.7721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    2.2721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    3.2721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    3.7721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4920    1.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981    3.2929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4804    0.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.7721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3060   -2.7722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    4.7721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.4342   -3.2622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1661   -3.2822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4689   -0.2624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4226   -4.2621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1546   -4.2822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2828   -4.7721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.1521    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    4.3921    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9338    3.6050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3800    0.7721    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.1521    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0000    5.3921    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1  9  1  0  0  0  0
  1 15  1  0  0  0  0
  2 10  1  0  0  0  0
  2 17  1  0  0  0  0
  3 16  1  0  0  0  0
  3 18  1  0  0  0  0
  4  7  1  0  0  0  0
  4 13  2  0  0  0  0
  5 12  2  0  0  0  0
  5 13  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  2  0  0  0  0
  6 12  1  0  0  0  0
  7 11  2  0  0  0  0
  8  9  1  0  0  0  0
  8 25  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 26  1  0  0  0  0
 12 14  1  0  0  0  0
 13 27  1  0  0  0  0
 14 21  3  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 31  1  0  0  0  0
 17 32  1  0  0  0  0
 17 33  1  0  0  0  0
 18 21  1  0  0  0  0
 18 34  1  0  0  0  0
 18 35  1  0  0  0  0
 19 22  1  0  0  0  0
 19 36  1  0  0  0  0
 20 23  2  0  0  0  0
 20 37  1  0  0  0  0
 22 24  2  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
 24 40  1  0  0  0  0
M  END

$$$$
D00WZI
  -OEChem-10101305022D

 22 23  0     0  0  0  0  0  0999 V2000
    5.5443   -0.8047    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.6279   -0.8660    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7320   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1279    0.0000    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
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    3.7320    1.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1  5  1  0  0  0  0
  1 10  1  0  0  0  0
  2 13  1  0  0  0  0
  2 21  1  0  0  0  0
  3 13  1  0  0  0  0
  3 22  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  6  7  2  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 10  2  0  0  0  0
  8 15  1  0  0  0  0
  9 11  2  0  0  0  0
  9 16  1  0  0  0  0
 10 13  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
M  END

$$$$
D00XBM
  BIDD-NUS20110812001D

 54 57  0     0  0            999 V2000
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   -3.4263   -8.6241    0.0000 C   0  0  0  0  0  0           0  0  0
   -2.7079   -8.2099    0.0000 C   0  0  0  0  0  0           0  0  0
   -2.7084   -7.3826    0.0000 C   0  0  0  0  0  0           0  0  0
   -3.4265   -6.9684    0.0000 C   0  0  0  0  0  0           0  0  0
   -4.1456   -7.3876    0.0000 C   0  0  0  0  0  0           0  0  0
   -4.1416   -8.2136    0.0000 C   0  0  0  0  0  0           0  0  0
   -2.0000  -11.9250    0.0000 C   0  0  0  0  0  0           0  0  0
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   -2.7145  -13.1625    0.0000 N   0  0  0  0  0  0           0  0  0
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   -2.0000  -14.4000    0.0000 C   0  0  1  0  0  0           0  0  0
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   -3.4259  -13.5739    0.0000 C   0  0  0  0  0  0           0  0  0
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 12 13  2  0     0  0
 26 27  2  0     0  0
  1  2  1  0     0  0
 27 28  1  0     0  0
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 29 24  1  0     0  0
 14  9  2  0     0  0
 27 30  1  0     0  0
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  3 31  1  0     0  0
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 31 33  1  0     0  0
 15 16  2  0     0  0
 33 34  1  0     0  0
  7  8  2  0     0  0
 33 35  1  1     0  0
 15 17  1  0     0  0
 35 36  1  0     0  0
  8  5  1  0     0  0
 36 37  1  0     0  0
 17 18  1  0     0  0
 37 38  1  0     0  0
 38 39  1  0     0  0
 18 19  1  0     0  0
 39 40  2  0     0  0
  4  5  1  0     0  0
 39 41  1  0     0  0
 19 20  1  0     0  0
 23 42  1  0     0  0
  9 10  1  0     0  0
 42 43  1  0     0  0
 19 21  2  0     0  0
 42 44  2  0     0  0
  2  3  1  0     0  0
 43 45  1  6     0  0
 20 22  1  6     0  0
 43 46  1  0     0  0
 10 11  2  0     0  0
 34 47  2  0     0  0
 46 34  1  0     0  0
 20 23  1  0     0  0
 45 48  1  0     0  0
  5  6  2  0     0  0
 48 49  1  0     0  0
 22 24  1  0     0  0
 49 50  1  0     0  0
 11 12  1  0     0  0
 50 51  1  0     0  0
 24 25  2  0     0  0
 51 52  1  0     0  0
  6 10  1  0     0  0
 51 53  2  0     0  0
 25 26  1  0     0  0
 23 54  1  0     0  0
M  ENDM  END

$$$$
D00XCC
  -OEChem-10101305032D

 44 45  0     1  0  0  0  0  0999 V2000
    2.8660   -0.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -2.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.3301   -1.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8660    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    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
    2.8660   -3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 21 23  1  0  0  0  0
 21 40  1  0  0  0  0
 22 43  1  0  0  0  0
 23 44  1  0  0  0  0
M  END

$$$$
D00XCL
  -OEChem-10101305022D

 30 30  0     0  0  0  0  0  0999 V2000
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 12 22  1  0  0  0  0
 13 14  2  0  0  0  0
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 14 23  1  0  0  0  0
 15 24  1  0  0  0  0
 17 26  1  0  0  0  0
 17 27  1  0  0  0  0
M  END

$$$$
D00XDG
  -OEChem-10101305022D

 24 25  0     0  0  0  0  0  0999 V2000
    5.2558    0.4571    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7657    3.1307    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  7  1  0  0  0  0
  1  9  1  0  0  0  0
  2 15  2  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 21  1  0  0  0  0
  4 22  1  0  0  0  0
  5 15  1  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 10  2  0  0  0  0
  6 11  1  0  0  0  0
  8  9  2  0  0  0  0
  8 15  1  0  0  0  0
 10 12  1  0  0  0  0
 10 16  1  0  0  0  0
 11 13  2  0  0  0  0
 11 17  1  0  0  0  0
 12 14  2  0  0  0  0
 12 18  1  0  0  0  0
 13 14  1  0  0  0  0
 13 19  1  0  0  0  0
 14 20  1  0  0  0  0
M  END

$$$$
D00XEN
  -OEChem-04152109392D

 65 68  0     0  0  0  0  0  0999 V2000
   14.1514    3.6424    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   16.1060    4.0657    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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   10.6087    1.1028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1 20  1  0  0  0  0
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  3 65  1  0  0  0  0
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 10 40  1  0  0  0  0
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 18 52  1  0  0  0  0
 18 53  1  0  0  0  0
 19 23  1  0  0  0  0
 19 26  1  0  0  0  0
 20 29  1  0  0  0  0
 21 30  2  0  0  0  0
 21 54  1  0  0  0  0
 22 23  1  0  0  0  0
 22 31  2  0  0  0  0
 23 32  2  0  0  0  0
 24 25  2  0  0  0  0
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 25 27  1  0  0  0  0
 25 28  1  0  0  0  0
 26 28  2  0  0  0  0
 26 57  1  0  0  0  0
 28 58  1  0  0  0  0
 29 33  2  0  0  0  0
 30 33  1  0  0  0  0
 30 59  1  0  0  0  0
 31 34  1  0  0  0  0
 31 60  1  0  0  0  0
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 33 62  1  0  0  0  0
 34 35  2  0  0  0  0
 34 63  1  0  0  0  0
 35 64  1  0  0  0  0
M  END

$$$$
D00XGW
  -OEChem-10191521452D

 30 31  0     0  0  0  0  0  0999 V2000
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    3.4030    0.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.2690   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.2690    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0010    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 10 21  1  0  0  0  0
 12 16  1  0  0  0  0
 13 18  1  0  0  0  0
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 16 25  1  0  0  0  0
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 18 20  2  0  0  0  0
 19 20  1  0  0  0  0
 20 29  1  0  0  0  0
M  END

$$$$
D00XHC
  -OEChem-10101305022D

 45 47  0     0  0  0  0  0  0999 V2000
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    2.7699    1.6190    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4881    1.1161    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2899    2.6280    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9193    3.4226    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1247    3.0521    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1607    0.1434    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0342    0.0670    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    5.7523    2.4597    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.9132   -0.1508    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4188   -3.4600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9132   -3.4600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    1.4643   -0.9725    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8678   -2.6383    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4643   -2.6383    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  7  2  0  0  0  0
  3  5  1  0  0  0  0
  3  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  7  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 11  1  0  0  0  0
  5 24  1  0  0  0  0
  6  8  1  0  0  0  0
  6  9  1  0  0  0  0
  6 25  1  0  0  0  0
  8 26  1  0  0  0  0
  8 27  1  0  0  0  0
  8 37  1  0  0  0  0
  9 34  1  0  0  0  0
  9 35  1  0  0  0  0
  9 36  1  0  0  0  0
 10 31  1  0  0  0  0
 10 32  1  0  0  0  0
 10 33  1  0  0  0  0
 11 28  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 16  2  0  0  0  0
 13 15  1  0  0  0  0
 13 17  2  0  0  0  0
 14 18  2  0  0  0  0
 15 19  2  0  0  0  0
 16 20  1  0  0  0  0
 16 38  1  0  0  0  0
 17 21  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
 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 22  2  0  0  0  0
 21 43  1  0  0  0  0
 22 45  1  0  0  0  0
 23 44  1  0  0  0  0
M  END

$$$$
D00XIB
  -OEChem-10101305022D

 31 32  0     1  0  0  0  0  0999 V2000
    3.4030   -1.3960    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.9030   -0.5300    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9030   -2.2620    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9043    0.8212    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2579    1.3593    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -1.8960    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.9473    0.4087    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.5309   -0.3960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9473   -1.2007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    0.1040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -0.8960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -1.3960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    0.6040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -0.8960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.1040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2364    1.5655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5471    2.5160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5098    0.8481    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9917   -0.8107    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9917    0.0187    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6962   -1.7676    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4846   -1.5099    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -2.0160    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    1.2240    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8439    1.8207    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.4140    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1364    2.3234    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7397    3.1053    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9578    2.7086    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.5860    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -2.5160    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 14  1  0  0  0  0
  4 16  2  0  0  0  0
  5  7  1  0  0  0  0
  5 16  1  0  0  0  0
  5 25  1  0  0  0  0
  6 30  1  0  0  0  0
  6 31  1  0  0  0  0
  7  8  1  0  0  0  0
  7 10  1  0  0  0  0
  7 18  1  0  0  0  0
  8  9  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  2  0  0  0  0
 10 13  1  0  0  0  0
 11 12  1  0  0  0  0
 12 14  2  0  0  0  0
 12 23  1  0  0  0  0
 13 15  2  0  0  0  0
 13 24  1  0  0  0  0
 14 15  1  0  0  0  0
 15 26  1  0  0  0  0
 16 17  1  0  0  0  0
 17 27  1  0  0  0  0
 17 28  1  0  0  0  0
 17 29  1  0  0  0  0
M  END

$$$$
D00XIX
  -OEChem-10101305022D

 31 33  0     0  0  0  0  0  0999 V2000
    2.0000    0.5823    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.1132    2.7694    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.1132    2.7694    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.3733    1.5094    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6132    1.2306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6132    0.2306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8042    1.8184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8532    1.5094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7472   -0.2694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4793   -0.2694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6132   -1.7694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4223    1.8184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7472   -1.2694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4793   -1.2694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1100    2.1785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6453    0.5312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6132   -2.7694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1590    1.8695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6942    0.2222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9511    0.8913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2103    0.0406    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0162    0.0406    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2103   -1.5794    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0162   -1.5794    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2389    2.7849    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1060    0.1163    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9932   -2.7694    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6132   -3.3894    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2332   -2.7694    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6982    2.2843    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5653   -0.3843    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 20  1  0  0  0  0
  2  3  1  0  0  0  0
  2  7  1  0  0  0  0
  3 12  1  0  0  0  0
  4 12  2  0  0  0  0
  5  6  1  0  0  0  0
  5  7  2  0  0  0  0
  5 12  1  0  0  0  0
  6  9  2  0  0  0  0
  6 10  1  0  0  0  0
  7  8  1  0  0  0  0
  8 15  2  0  0  0  0
  8 16  1  0  0  0  0
  9 13  1  0  0  0  0
  9 21  1  0  0  0  0
 10 14  2  0  0  0  0
 10 22  1  0  0  0  0
 11 13  2  0  0  0  0
 11 14  1  0  0  0  0
 11 17  1  0  0  0  0
 13 23  1  0  0  0  0
 14 24  1  0  0  0  0
 15 18  1  0  0  0  0
 15 25  1  0  0  0  0
 16 19  2  0  0  0  0
 16 26  1  0  0  0  0
 17 27  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
M  END

$$$$
D00XJA
  -OEChem-10101305032D

 24 25  0     0  0  0  0  0  0999 V2000
    4.5981    1.6377    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1282   -0.3865    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.6377    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.3623    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.1377    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.1377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.1377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3580   -0.3970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.3623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641    0.1169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3580    1.6723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.1377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641    1.1585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.1377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.3623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9962    0.1102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3509   -1.0170    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.9823    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3509    2.2923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7998    1.4706    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.3291   -1.6723    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1 14  1  0  0  0  0
  2 10  1  0  0  0  0
  2 16  1  0  0  0  0
  3 14  2  0  0  0  0
  4 15  1  0  0  0  0
  4 24  1  0  0  0  0
  5 15  2  0  0  0  0
  6  7  2  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
  8 10  2  0  0  0  0
  8 17  1  0  0  0  0
  9 12  2  0  0  0  0
  9 18  1  0  0  0  0
 10 13  1  0  0  0  0
 11 13  2  0  0  0  0
 11 19  1  0  0  0  0
 12 14  1  0  0  0  0
 12 15  1  0  0  0  0
 13 20  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
M  END

$$$$
D00XJR
  -OEChem-10191522162D

 34 36  0     0  0  0  0  0  0999 V2000
    2.0000    2.0350    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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    7.1279   -0.6970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6279   -1.5630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1279   -0.6970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1279    1.0350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1279   -2.4291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1279    1.0350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.5350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.5350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.0350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8660    1.5350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.5350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.3291    0.2250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 18  1  0  0  0  0
  2 11  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
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  4  9  1  0  0  0  0
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  7 10  1  0  0  0  0
  7 20  1  0  0  0  0
  7 21  1  0  0  0  0
  8  9  1  0  0  0  0
  8 22  1  0  0  0  0
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  9 25  1  0  0  0  0
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 11 13  1  0  0  0  0
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 14 15  2  0  0  0  0
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 17 19  2  0  0  0  0
 17 33  1  0  0  0  0
 18 19  1  0  0  0  0
 19 34  1  0  0  0  0
M  END

$$$$
D00XKA
  -OEChem-04152122332D

 68 68  0     0  0  0  0  0  0999 V2000
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 29 65  1  0  0  0  0
 30 31  1  0  0  0  0
 30 66  1  0  0  0  0
 31 67  1  0  0  0  0
M  END

$$$$
D00XKH
  -OEChem-10101305022D

 54 53  0     1  0  0  0  0  0999 V2000
    7.7331    0.5950    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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   12.9292    2.5950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 27 28  1  0  0  0  0
 27 50  1  0  0  0  0
 27 51  1  0  0  0  0
M  END

$$$$
D00XKM
  -OEChem-10101305032D

 25 25  0     1  0  0  0  0  0999 V2000
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    5.1350    3.1550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  1 21  1  0  0  0  0
  2 10  1  0  0  0  0
  2 25  1  0  0  0  0
  3 10  2  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4 14  1  0  0  0  0
  5  7  1  0  0  0  0
  5 15  1  0  0  0  0
  5 16  1  0  0  0  0
  6  8  2  0  0  0  0
  6  9  1  0  0  0  0
  7 10  1  0  0  0  0
  7 17  1  0  0  0  0
  7 18  1  0  0  0  0
  8 11  1  0  0  0  0
  8 19  1  0  0  0  0
  9 12  2  0  0  0  0
  9 20  1  0  0  0  0
 11 13  2  0  0  0  0
 11 22  1  0  0  0  0
 12 13  1  0  0  0  0
 12 23  1  0  0  0  0
 13 24  1  0  0  0  0
M  END

$$$$
D00XLU
  -OEChem-10101305022D

 41 43  0     1  0  0  0  0  0999 V2000
    3.7320   -0.0950    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.7320   -0.0950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7320   -0.0950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -4.0950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.9050    0.0000 N   0  0  3  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
    4.5981    1.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    2.4050    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    2.4050    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
    4.5981   -1.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    1.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.3301    2.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    4.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.0611    2.7150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -1.2850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    5.4641    3.5250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -2.9050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -2.9050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    6.8671    2.7150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    5.0250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951   -4.4050    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  5  1  0  0  0  0
  1  8  1  0  0  0  0
  4 22  1  0  0  0  0
  4 41  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  6  9  1  0  0  0  0
  6 25  1  0  0  0  0
  6 26  1  0  0  0  0
  7 10  2  0  0  0  0
  7 11  1  0  0  0  0
  8 12  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 16  1  0  0  0  0
 10 27  1  0  0  0  0
 11 17  2  0  0  0  0
 11 28  1  0  0  0  0
 12 18  1  0  0  0  0
 12 29  1  0  0  0  0
 13 19  2  0  0  0  0
 13 30  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 23  2  0  0  0  0
 16 33  1  0  0  0  0
 17 23  1  0  0  0  0
 17 34  1  0  0  0  0
 18 22  2  0  0  0  0
 18 35  1  0  0  0  0
 19 22  1  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 24  1  0  0  0  0
 21 38  1  0  0  0  0
 23 39  1  0  0  0  0
 24 40  1  0  0  0  0
M  END

$$$$
D00XMO
  -OEChem-10101305022D

 33 34  0     1  0  0  0  0  0999 V2000
    2.8660   -3.9055    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.0934    2.2582    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8366    1.5891    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.8147    1.7970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3147    0.9309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6456    0.1878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.5945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.0945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3014    3.2363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.9055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5582    3.9055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.4055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.4055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.4055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.4055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.9055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9970    2.1879    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3811    2.0491    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.2690   -2.7155    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 16  1  0  0  0  0
  2  3  1  0  0  0  0
  2  9  1  0  0  0  0
  3  4  1  0  0  0  0
  3  7  1  0  0  0  0
  3 17  1  0  0  0  0
  4  5  1  0  0  0  0
  4 18  1  0  0  0  0
  4 19  1  0  0  0  0
  5  6  1  0  0  0  0
  5 20  1  0  0  0  0
  5 21  1  0  0  0  0
  6  7  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 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  2  0  0  0  0
 10 13  1  0  0  0  0
 11 27  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
 13 15  2  0  0  0  0
 13 31  1  0  0  0  0
 14 16  2  0  0  0  0
 14 32  1  0  0  0  0
 15 16  1  0  0  0  0
 15 33  1  0  0  0  0
M  END

$$$$
D00XMP
  -OEChem-10101305022D

 35 36  0     1  0  0  0  0  0999 V2000
    4.5981    0.0000    0.0000 N   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
    3.7320    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
    4.5981   -1.0000    0.0000 C   0  0  3  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
    5.4641    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.5000    0.0000 C   0  0  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    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
    3.1215    0.6077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8660   -3.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
  2  6  1  0  0  0  0
  2  7  1  0  0  0  0
  2 10  1  0  0  0  0
  3  6  1  0  0  0  0
  3 16  1  0  0  0  0
  3 17  1  0  0  0  0
  4  7  1  0  0  0  0
  4 18  1  0  0  0  0
  4 19  1  0  0  0  0
  5  8  1  0  0  0  0
  5  9  1  0  0  0  0
  5 20  1  0  0  0  0
  6 21  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 11  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
  9 27  1  0  0  0  0
 10 28  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
 11 31  1  0  0  0  0
 12 14  2  0  0  0  0
 12 32  1  0  0  0  0
 13 15  2  0  0  0  0
 13 33  1  0  0  0  0
 14 15  1  0  0  0  0
 14 34  1  0  0  0  0
 15 35  1  0  0  0  0
M  END

$$$$
D00XNF
  -OEChem-10101305032D

 50 51  0     0  0  0  0  0  0999 V2000
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    4.5981    2.6739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.3261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.6739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.1739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.1739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.1739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.3261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    3.6739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.9195   -3.3095    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 20  1  0  0  0  0
  1 22  1  0  0  0  0
  2  9  1  0  0  0  0
  2 45  1  0  0  0  0
  3 21  2  0  0  0  0
  4 21  1  0  0  0  0
  4 22  1  0  0  0  0
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  5  7  1  0  0  0  0
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  5 13  1  0  0  0  0
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  7 10  1  0  0  0  0
  8  9  1  0  0  0  0
  8 11  2  0  0  0  0
 10 18  2  0  0  0  0
 10 24  1  0  0  0  0
 11 18  1  0  0  0  0
 11 25  1  0  0  0  0
 12 26  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
 13 31  1  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 41  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
 19 20  2  0  0  0  0
 19 44  1  0  0  0  0
 20 21  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
M  END

$$$$
D00XNY
  -OEChem-10101305032D

 20 20  0     0  0  0  0  0  0999 V2000
    1.7462    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.2888    3.1648    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5995    5.7248    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6106    3.4696    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8725    3.9696    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4766    4.9696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3426    4.4696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6106    4.4696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3426    3.4696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4766    2.9696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2888    4.7743    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8751    5.4445    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    0.3985    5.0522    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0736    3.1596    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4925    3.9696    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7462    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 20  1  0  0  0  0
  2  5  1  0  0  0  0
  2  9  1  0  0  0  0
  3 11  2  0  0  0  0
  4  8  1  0  0  0  0
  4 10  1  0  0  0  0
  4 18  1  0  0  0  0
  5 11  1  0  0  0  0
  5 19  1  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 13  1  0  0  0  0
  7  9  2  0  0  0  0
  7 11  1  0  0  0  0
  8 14  1  0  0  0  0
  8 15  1  0  0  0  0
  9 10  1  0  0  0  0
 10 16  1  0  0  0  0
 10 17  1  0  0  0  0
M  END

$$$$
D00XOQ
  -OEChem-10101305032D

 50 53  0     0  0  0  0  0  0999 V2000
    5.6622   -5.4055    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.6136    5.4055    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8001    3.5784    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1622    0.1333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4712   -0.8177    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.7448    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3934    2.6649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9811    1.8559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2123    4.3874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7946    3.6830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5744    0.9423    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6190    5.3010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2014    4.5965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8532   -0.8177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6622   -1.4055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1622    0.1333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9021   -1.1268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6622   -2.4055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6942   -2.1049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1590   -0.4576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.5282   -2.9055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7431   -2.4139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.3962    3.5330    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.0175    5.4510    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.1550   -2.5198    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1 27  1  0  0  0  0
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  2 13  1  0  0  0  0
  3  7  1  0  0  0  0
  3  9  1  0  0  0  0
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  7 28  1  0  0  0  0
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  8 30  1  0  0  0  0
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  9 32  1  0  0  0  0
  9 33  1  0  0  0  0
 10 13  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
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 13 40  1  0  0  0  0
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 14 15  2  0  0  0  0
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 15 18  1  0  0  0  0
 16 42  1  0  0  0  0
 17 19  2  0  0  0  0
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 20 24  2  0  0  0  0
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 21 25  1  0  0  0  0
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 22 26  2  0  0  0  0
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 23 47  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 27  1  0  0  0  0
 26 50  1  0  0  0  0
M  END

$$$$
D00XOT
  -OEChem-10101305032D

 27 28  0     0  0  0  0  0  0999 V2000
    3.7320   -0.8450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    3.1550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.8450    0.0000 O   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
    4.5981    1.6550    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
    3.7320    2.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4920    0.1203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4920    2.1897    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
    6.3981    0.6342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8660   -2.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  6  1  0  0  0  0
  1 13  1  0  0  0  0
  2  7  1  0  0  0  0
  2 26  1  0  0  0  0
  3 15  1  0  0  0  0
  3 27  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  7  1  0  0  0  0
  5 10  2  0  0  0  0
  6  9  2  0  0  0  0
  7 11  2  0  0  0  0
  8 12  1  0  0  0  0
  8 16  1  0  0  0  0
  9 11  1  0  0  0  0
  9 17  1  0  0  0  0
 10 14  1  0  0  0  0
 10 18  1  0  0  0  0
 11 19  1  0  0  0  0
 12 14  2  0  0  0  0
 12 22  1  0  0  0  0
 13 15  1  0  0  0  0
 13 20  1  0  0  0  0
 13 21  1  0  0  0  0
 14 23  1  0  0  0  0
 15 24  1  0  0  0  0
 15 25  1  0  0  0  0
M  END

$$$$
D00XOV
  -OEChem-10191521422D

108113  0     1  0  0  0  0  0999 V2000
    9.4938   -1.4392    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   10.6165    2.7277    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.2619    3.8700    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783    3.6748    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.2201    2.8471    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.8600    1.1529    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2564    1.0335    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   12.5728    2.3119    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9255    1.7766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END

$$$$
D00XPB
  -OEChem-10191521482D

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M  END

$$$$
D00XPZ
          04081100432D 1   1.00000     0.00000     0

 25 28  0     0  0            999 V2000
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  2  1  2  0     0  0
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  8  7  1  0     0  0
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 10  9  1  0     0  0
 10  6  2  0     0  0
  7  5  2  0     0  0
 12 11  2  0     0  0
 13 12  1  0     0  0
 13  3  2  0     0  0
 11  4  1  0     0  0
 15 14  1  0     0  0
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 11 15  1  0     0  0
 13 21  1  0     0  0
 22 23  1  0     0  0
  8 22  1  0     0  0
 24 25  1  0     0  0
 10 24  1  0     0  0
M  END

$$$$
D00XQV
  -OEChem-10101305022D

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 36 71  1  0  0  0  0
 37 38  1  0  0  0  0
 37 72  1  0  0  0  0
M  END

$$$$
D00XRH
  -OEChem-10191522002D

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 23 25  1  0  0  0  0
 23 45  1  0  0  0  0
 24 46  1  0  0  0  0
 25 26  2  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

$$$$
D00XSP
          01210517112D 1   1.00000     0.00000     0

 22 21  0     0  0            999 V2000
    0.9250    0.6375    0.0000 C   0  0  3  0  0  0           0  0  0
   -1.5333    0.6333    0.0000 C   0  0  0  0  0  0           0  0  0
    1.2792    1.2583    0.0000 C   0  0  0  0  0  0           0  0  0
    0.5667    1.2583    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.2208   -2.0875    0.0000 C   0  0  0  0  0  0           0  0  0
    0.6167   -2.4417    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.6083   -2.4417    0.0000 C   0  0  0  0  0  0           0  0  0
    0.0042   -2.0875    0.0000 C   0  0  0  0  0  0           0  0  0
    1.5375    0.2833    0.0000 N   0  0  3  0  0  0           0  0  0
   -2.1458    0.2833    0.0000 N   0  0  3  0  0  0           0  0  0
   -1.5333    1.3458    0.0000 O   0  0  0  0  0  0           0  0  0
   -1.2208   -1.3792    0.0000 O   0  0  0  0  0  0           0  0  0
    0.6167   -3.1500    0.0000 O   0  0  0  0  0  0           0  0  0
    0.3125    0.2833    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.9125    0.2833    0.0000 O   0  0  0  0  0  0           0  0  0
    1.2292   -2.0875    0.0000 O   0  0  0  0  0  0           0  0  0
   -1.8333   -2.4417    0.0000 O   0  0  0  0  0  0           0  0  0
   -0.3000    0.6333    0.0000 C   0  0  0  0  0  0           0  0  0
    2.1542    0.6333    0.0000 C   0  0  0  0  0  0           0  0  0
    1.5375   -0.4292    0.0000 C   0  0  0  0  0  0           0  0  0
   -2.1458   -0.4292    0.0000 C   0  0  0  0  0  0           0  0  0
   -2.7583    0.6333    0.0000 C   0  0  0  0  0  0           0  0  0
  2 15  1  0     0  0
  3  1  1  0     0  0
  4  1  1  0     0  0
  6  8  1  0     0  0
  7  5  1  0     0  0
  8  7  2  0     0  0
  9  1  1  0     0  0
 10  2  1  0     0  0
 11  2  2  0     0  0
 12  5  2  0     0  0
 13  6  2  0     0  0
 14  1  1  0     0  0
 15 18  1  0     0  0
 16  6  1  0     0  0
 17  5  1  0     0  0
 18 14  1  0     0  0
 19  9  1  0     0  0
 20  9  1  0     0  0
 21 10  1  0     0  0
 22 10  1  0     0  0
  4  3  1  0     0  0
M  END

$$$$
D00XTC
  BIDD-NUS20110812001D

 42 46  0     1  0            999 V2000
   -2.7938  -16.6108    0.0000 C   0  0  0  0  0  0           0  0  0
   -2.3807  -15.3381    0.0000 C   0  0  1  0  0  0           0  0  0
   -3.0467  -15.8255    0.0000 C   0  0  0  0  0  0           0  0  0
   -3.2047  -15.3381    0.0000 C   0  0  0  0  0  0           0  0  0
   -2.1992  -14.5319    0.0000 N   0  0  0  0  0  0           0  0  0
   -1.4042  -14.3432    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.4073  -13.5204    0.0000 C   0  0  1  0  0  0           0  0  0
   -2.2191  -13.3377    0.0000 N   0  0  0  0  0  0           0  0  0
   -2.4088  -12.5394    0.0000 C   0  0  0  0  0  0           0  0  0
   -4.2138  -13.5266    0.0000 C   0  0  0  0  0  0           0  0  0
   -4.2063  -14.3488    0.0000 C   0  0  1  0  0  0           0  0  0
   -3.3939  -14.5252    0.0000 N   0  0  0  0  0  0           0  0  0
   -3.7184  -15.9852    0.0000 O   0  0  0  0  0  0           0  0  0
   -1.8968  -11.8910    0.0000 O   0  0  0  0  0  0           0  0  0
   -0.7633  -13.0032    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.7551  -14.8543    0.0000 O   0  0  0  0  0  0           0  0  0
   -0.0420  -13.4061    0.0000 C   0  0  0  0  0  0           0  0  0
    0.6676  -12.9830    0.0000 C   0  0  0  0  0  0           0  0  0
    1.3889  -13.3859    0.0000 C   0  0  0  0  0  0           0  0  0
    2.0984  -12.9627    0.0000 C   0  0  0  0  0  0           0  0  0
    2.8198  -13.3657    0.0000 S   0  0  0  0  0  0           0  0  0
    3.5293  -12.9425    0.0000 S   0  0  0  0  0  0           0  0  0
    4.2506  -13.3455    0.0000 C   0  0  0  0  0  0           0  0  0
    4.2574  -14.1721    0.0000 N   0  0  0  0  0  0           0  0  0
    4.9779  -14.5749    0.0000 C   0  0  0  0  0  0           0  0  0
    5.6884  -14.1517    0.0000 C   0  0  0  0  0  0           0  0  0
    5.6741  -13.3214    0.0000 C   0  0  0  0  0  0           0  0  0
    4.9530  -12.9223    0.0000 C   0  0  0  0  0  0           0  0  0
   -4.8473  -14.8703    0.0000 C   0  0  0  0  0  0           0  0  0
   -2.7707  -11.8545    0.0000 H   0  0  0  0  0  0           0  0  0
   -1.7105  -15.8255    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.9675  -16.6095    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.4176  -17.2220    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.6106  -17.0519    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.3563  -16.2637    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.9079  -15.6545    0.0000 C   0  0  0  0  0  0           0  0  0
   -3.4246  -13.3373    0.0000 N   0  0  3  0  0  0           0  0  0
   -3.1796  -12.5723    0.0000 C   0  0  2  0  0  0           0  0  0
   -3.8314  -12.1028    0.0000 C   0  0  0  0  0  0           0  0  0
   -4.4793  -12.5777    0.0000 C   0  0  0  0  0  0           0  0  0
   -4.2279  -13.3406    0.0000 C   0  0  0  0  0  0           0  0  0
   -5.0155  -13.3066    0.0000 O   0  0  0  0  0  0           0  0  0
  5  6  1  0     0  0
 19 20  1  0     0  0
  6  7  1  0     0  0
 20 21  1  0     0  0
  7  8  1  0     0  0
 21 22  1  0     0  0
  8  9  1  0     0  0
 22 23  1  0     0  0
  9 38  1  0     0  0
 23 24  2  0     0  0
 37 10  1  0     0  0
 24 25  1  0     0  0
 10 11  1  0     0  0
 25 26  2  0     0  0
 11 12  1  0     0  0
 26 27  1  0     0  0
 12  4  1  0     0  0
 27 28  2  0     0  0
 28 23  1  0     0  0
  3  1  1  0     0  0
 11 29  1  1     0  0
  4 13  2  0     0  0
 38 30  1  1     0  0
  1 32  1  0     0  0
  9 14  2  0     0  0
 31 32  2  0     0  0
 32 33  1  0     0  0
  7 15  1  1     0  0
 33 34  2  0     0  0
  2 31  1  0     0  0
 34 35  1  0     0  0
  6 16  2  0     0  0
 35 36  2  0     0  0
 36 31  1  0     0  0
 37 38  1  0     0  0
  2  3  1  1     0  0
 15 17  1  0     0  0
  4  2  1  0     0  0
 17 18  1  0     0  0
  2  5  1  0     0  0
 38 39  1  0     0  0
 39 40  1  0     0  0
 40 41  1  0     0  0
 41 37  1  0     0  0
 18 19  1  0     0  0
 10 42  2  0     0  0
M  ENDM  END

$$$$
D00XUE
  -OEChem-10101305032D

 29 29  0     1  0  0  0  0  0999 V2000
    4.5981    2.1900    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
    4.5981    0.1900    0.0000 N   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
    2.0000   -1.3100    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
    2.0000   -2.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.3100    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
    2.8660   -2.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.6900    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.7320    1.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -0.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7880   -0.7274    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3894   -1.4177    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3426   -1.4177    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9441   -0.7274    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3894   -2.2023    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7880   -2.8926    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9441   -2.8926    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3426   -2.2023    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6540    0.7726    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2554    0.0823    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4675   -3.2850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2646   -3.2850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.0700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    0.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.4300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  1  0  0  0  0
  1 29  1  0  0  0  0
  2 12  2  0  0  0  0
 11  3  1  1  0  0  0
  3 27  1  0  0  0  0
  3 28  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4  9  1  0  0  0  0
  4 13  1  0  0  0  0
  5  7  1  0  0  0  0
  5 14  1  0  0  0  0
  5 15  1  0  0  0  0
  6  8  1  0  0  0  0
  6 16  1  0  0  0  0
  6 17  1  0  0  0  0
  7 10  1  0  0  0  0
  7 18  1  0  0  0  0
  7 19  1  0  0  0  0
  8 10  1  0  0  0  0
  8 20  1  0  0  0  0
  8 21  1  0  0  0  0
  9 11  1  0  0  0  0
  9 22  1  0  0  0  0
  9 23  1  0  0  0  0
 10 24  1  0  0  0  0
 10 25  1  0  0  0  0
 11 12  1  0  0  0  0
 11 26  1  0  0  0  0
M  END

$$$$
D00XUF
  -OEChem-10101305032D

 40 42  0     0  0  0  0  0  0999 V2000
    2.8660    0.5490    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4103   -0.6462    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.5490    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4103   -2.2557    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.9510    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.4510    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.4939   -4.0490    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    2.5490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.0490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    3.5490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.9510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.4510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9939   -1.4510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.0490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.9510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9939   -1.4510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    4.0490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4939   -2.3170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7320   -1.9510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.8039   -0.0480    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6139   -1.4510    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 14  2  0  0  0  0
  2 11  1  0  0  0  0
  2 13  1  0  0  0  0
  2 31  1  0  0  0  0
  3 12  1  0  0  0  0
  3 14  1  0  0  0  0
  3 32  1  0  0  0  0
  4 13  2  0  0  0  0
  4 15  1  0  0  0  0
  5 12  2  0  0  0  0
  5 20  1  0  0  0  0
  6 15  1  0  0  0  0
  6 20  2  0  0  0  0
  7 24  3  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
  8 26  1  0  0  0  0
  9 14  1  0  0  0  0
  9 27  1  0  0  0  0
  9 28  1  0  0  0  0
 10 17  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 15  2  0  0  0  0
 13 16  1  0  0  0  0
 16 18  1  0  0  0  0
 16 19  2  0  0  0  0
 17 33  1  0  0  0  0
 17 34  1  0  0  0  0
 17 35  1  0  0  0  0
 18 21  2  0  0  0  0
 18 36  1  0  0  0  0
 19 22  1  0  0  0  0
 19 37  1  0  0  0  0
 20 38  1  0  0  0  0
 21 23  1  0  0  0  0
 21 24  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
M  END

$$$$
D00XVS
  -OEChem-10101305022D

 79 83  0     1  0  0  0  0  0999 V2000
    2.5357   -2.6574    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4608    0.4291    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6064   -1.0775    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0628   -1.1050    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.1968   -0.6051    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.2868   -1.1119    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.9288   -0.6051    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.2787   -2.1535    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.9288    0.3949    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.0789   -2.1466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1968    0.3949    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1808   -2.6743    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3433   -2.7032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0628    0.8949    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3599   -0.5478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END

$$$$
D00XVV
  -OEChem-10191521192D

 65 68  0     0  0  0  0  0  0999 V2000
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M  ISO  1  13  11
M  END

$$$$
D00XZH
  -OEChem-10101305022D

 50 52  0     0  0  0  0  0  0999 V2000
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 10 34  1  0  0  0  0
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 11 35  1  0  0  0  0
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 14 41  1  0  0  0  0
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 16 20  2  0  0  0  0
 16 43  1  0  0  0  0
 17 21  2  0  0  0  0
 17 44  1  0  0  0  0
 18 22  2  0  0  0  0
 18 45  1  0  0  0  0
 19 23  2  0  0  0  0
 19 46  1  0  0  0  0
 20 22  1  0  0  0  0
 20 47  1  0  0  0  0
 21 23  1  0  0  0  0
 21 48  1  0  0  0  0
 22 49  1  0  0  0  0
 23 50  1  0  0  0  0
M  END

$$$$
D00XZZ
  -OEChem-10101305022D

 37 38  0     0  0  0  0  0  0999 V2000
    2.8660    1.7500    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
    3.7320    4.2500    0.0000 N   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
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    2.8660   -1.2500    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
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  4 20  1  0  0  0  0
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 10 28  1  0  0  0  0
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 13 32  1  0  0  0  0
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 17 35  1  0  0  0  0
 18 19  1  0  0  0  0
 18 36  1  0  0  0  0
 19 37  1  0  0  0  0
M  END

$$$$
D00YAS
  -OEChem-02061504182D

 39 40  0     1  0  0  0  0  0999 V2000
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 10 11  1  0  0  0  0
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 16 35  1  0  0  0  0
 17 36  1  0  0  0  0
 17 37  1  0  0  0  0
 17 38  1  0  0  0  0
M  END

$$$$
D00YAZ
  -OEChem-10191522372D

 44 46  0     1  0  0  0  0  0999 V2000
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M  END

$$$$
D00YBU
  -OEChem-10101305022D

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M  END

$$$$
D00YCG
  -OEChem-04152122312D

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M  END

$$$$
D00YCO
  -OEChem-04152122232D

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M  END

$$$$
D00YCU
  -OEChem-10101305032D

 26 28  0     0  0  0  0  0  0999 V2000
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  8 10  2  0  0  0  0
  8 18  1  0  0  0  0
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  9 19  1  0  0  0  0
 10 13  1  0  0  0  0
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 11 14  1  0  0  0  0
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 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
M  END

$$$$
D00YCW
  -OEChem-10101305022D

 50 52  0     1  0  0  0  0  0999 V2000
    4.0981    2.0670    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  3  1  0  0  0  0
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  2  6  1  0  0  0  0
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 21 23  1  0  0  0  0
 21 48  1  0  0  0  0
 22 49  1  0  0  0  0
 23 50  1  0  0  0  0
M  END

$$$$
D00YDR
  -OEChem-10101305032D

 56 60  0     1  0  0  0  0  0999 V2000
    6.5824   -2.3273    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2848    0.6251    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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 17 18  1  0  0  0  0
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 22 25  1  0  0  0  0
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 23 26  1  0  0  0  0
 23 48  1  0  0  0  0
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 25 26  2  0  0  0  0
 25 52  1  0  0  0  0
 26 53  1  0  0  0  0
 27 54  1  0  0  0  0
 27 55  1  0  0  0  0
 27 56  1  0  0  0  0
M  END

$$$$
D00YEB
  -OEChem-10101305022D

 53 56  0     1  0  0  0  0  0999 V2000
    3.7319    1.2590    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.3458   -2.1256    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    5.8789   -2.2505    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2718   -1.8746    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6828   -1.1940    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7028   -0.4228    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1 17  1  0  0  0  0
  1 23  1  0  0  0  0
  2 23  2  0  0  0  0
  3  4  1  0  0  0  0
  3  7  1  0  0  0  0
  3 12  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4 27  1  1  0  0  0
  5  8  2  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  6 28  1  0  0  0  0
  6 29  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  9  1  0  0  0  0
  8 14  1  0  0  0  0
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  9 33  1  0  0  0  0
 10 13  1  0  0  0  0
 10 15  2  0  0  0  0
 11 13  2  0  0  0  0
 11 18  1  0  0  0  0
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 12 35  1  0  0  0  0
 13 17  1  0  0  0  0
 14 19  2  0  0  0  0
 14 36  1  0  0  0  0
 15 19  1  0  0  0  0
 15 37  1  0  0  0  0
 16 22  1  0  0  0  0
 16 38  1  0  0  0  0
 16 39  1  0  0  0  0
 17 20  2  0  0  0  0
 18 21  2  0  0  0  0
 18 40  1  0  0  0  0
 19 41  1  0  0  0  0
 20 21  1  0  0  0  0
 20 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
 23 24  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 26  1  0  0  0  0
 25 49  1  0  0  0  0
 25 50  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
M  END

$$$$
D00YEF
  -OEChem-10101305022D

 44 43  0     0  0  0  0  0  0999 V2000
   14.6613    0.2500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -0.2500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   13.7953   -0.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.1613    1.1160    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.1613   -0.6160    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9030    0.6160    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9030   -1.1160    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.5273    0.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -0.7500    0.0000 N   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
    9.4651    0.2500    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
   10.3312   -0.2500    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
   11.1972    0.2500    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
    6.0010    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
   12.9292    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2006   -0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9976   -0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    9.0666    0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1316    0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3346    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
   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
    6.4685   -0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   11.6647   -0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.4617   -0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3996    0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6025    0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.3278    0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.5307    0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7365   -0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0000   -0.4400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -1.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.0643    0.4400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.5273    1.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1  5  2  0  0  0  0
  1  6  2  0  0  0  0
  1  9  1  0  0  0  0
  2  4  1  0  0  0  0
  2  7  2  0  0  0  0
  2  8  2  0  0  0  0
  2 10  1  0  0  0  0
  3 20  1  0  0  0  0
  4 19  1  0  0  0  0
  9 43  1  0  0  0  0
  9 44  1  0  0  0  0
 10 41  1  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 21  1  0  0  0  0
 11 22  1  0  0  0  0
 12 14  1  0  0  0  0
 12 23  1  0  0  0  0
 12 24  1  0  0  0  0
 13 15  1  0  0  0  0
 13 25  1  0  0  0  0
 13 26  1  0  0  0  0
 14 16  1  0  0  0  0
 14 27  1  0  0  0  0
 14 28  1  0  0  0  0
 15 18  1  0  0  0  0
 15 31  1  0  0  0  0
 15 32  1  0  0  0  0
 16 17  1  0  0  0  0
 16 29  1  0  0  0  0
 16 30  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
 18 19  1  0  0  0  0
 18 35  1  0  0  0  0
 18 36  1  0  0  0  0
 19 39  1  0  0  0  0
 19 40  1  0  0  0  0
 20 37  1  0  0  0  0
 20 38  1  0  0  0  0
M  END

$$$$
D00YGP
  -OEChem-10101305022D

 30 32  0     0  0  0  0  0  0999 V2000
    6.8671    2.3877    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    2.3877    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3972    0.3635    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -2.1123    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    0.8877    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    0.8877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    0.8877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    0.3877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    0.3877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    1.8877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    1.8877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6270    0.3530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.8877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -0.6123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6270    2.4223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5331    0.8669    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5331    1.9085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -1.1123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    0.3877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -0.6123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -0.2323    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6199   -0.2670    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    1.5077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6720   -0.9223    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6199    3.0423    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0688    2.2205    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.9223    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9353    0.6714    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.4223    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.5777    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 11  2  0  0  0  0
  3 16  1  0  0  0  0
  3 28  1  0  0  0  0
  4 18  1  0  0  0  0
  4 29  1  0  0  0  0
  5 19  1  0  0  0  0
  5 30  1  0  0  0  0
  6  8  1  0  0  0  0
  6  9  2  0  0  0  0
  6 11  1  0  0  0  0
  7  9  1  0  0  0  0
  7 10  2  0  0  0  0
  7 12  1  0  0  0  0
  8 13  2  0  0  0  0
  8 14  1  0  0  0  0
  9 21  1  0  0  0  0
 10 15  1  0  0  0  0
 12 16  2  0  0  0  0
 12 22  1  0  0  0  0
 13 19  1  0  0  0  0
 13 23  1  0  0  0  0
 14 18  2  0  0  0  0
 14 24  1  0  0  0  0
 15 17  2  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
 18 20  1  0  0  0  0
 19 20  2  0  0  0  0
 20 27  1  0  0  0  0
M  END

$$$$
D00YHD
  -OEChem-10101305032D

 44 46  0     1  0  0  0  0  0999 V2000
    2.0000   -3.6900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    3.8100    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.3100    0.0000 C   0  0  3  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
    3.7320    1.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    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
    2.0000    2.3100    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
    4.5981    3.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    2.3100    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
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    3.7320   -1.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    4.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    2.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.1350   -0.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    4.9300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    2.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -1.8800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -1.8800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -3.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -4.3100    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
  1 21  1  0  0  0  0
  1 44  1  0  0  0  0
  2 17  2  0  0  0  0
  2 18  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3  6  1  0  0  0  0
  3 24  1  0  0  0  0
  4  7  1  0  0  0  0
  4  8  1  0  0  0  0
  4 25  1  0  0  0  0
  5  9  2  0  0  0  0
  5 10  1  0  0  0  0
  6 11  2  0  0  0  0
  6 12  1  0  0  0  0
  7 26  1  0  0  0  0
  7 30  1  0  0  0  0
  7 31  1  0  0  0  0
  8 27  1  0  0  0  0
  8 28  1  0  0  0  0
  8 29  1  0  0  0  0
  9 14  1  0  0  0  0
  9 32  1  0  0  0  0
 10 15  2  0  0  0  0
 10 33  1  0  0  0  0
 11 17  1  0  0  0  0
 11 34  1  0  0  0  0
 12 18  2  0  0  0  0
 12 35  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 13 16  1  0  0  0  0
 14 36  1  0  0  0  0
 15 37  1  0  0  0  0
 16 19  2  0  0  0  0
 16 20  1  0  0  0  0
 17 38  1  0  0  0  0
 18 39  1  0  0  0  0
 19 21  1  0  0  0  0
 19 40  1  0  0  0  0
 20 22  2  0  0  0  0
 20 41  1  0  0  0  0
 21 23  2  0  0  0  0
 22 23  1  0  0  0  0
 22 42  1  0  0  0  0
 23 43  1  0  0  0  0
M  END

$$$$
D00YHI
  -OEChem-10101305022D

 49 52  0     1  0  0  0  0  0999 V2000
    4.8885    1.0459    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6534    2.9148    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.0439    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2255   -1.8590    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    6.2493    0.1682    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.7341    1.0904    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.4664   -0.4561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2255   -0.0546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1939    1.9799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2748    0.2939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6600   -0.9568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5992    0.0446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4664   -1.4575    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1942    2.0264    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.2493   -2.0818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7346    1.1834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.4561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5992   -1.9581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7889   -2.6852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.4575    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7861   -2.6105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3494   -3.4367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.4561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2200   -1.7095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2732    1.8046    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8300    0.0833    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2255    0.5654    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2731    2.5948    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6021    2.1647    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6288   -0.2150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1447   -1.3434    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1447   -0.5702    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8596    2.5484    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7646   -2.4684    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5183   -2.6404    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3539    1.2122    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5992   -2.5781    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2237   -2.9402    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9418   -3.2860    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951   -1.7674    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3188    3.4367    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8371   -3.7860    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6986   -3.9490    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8617   -3.0874    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900    0.0808    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -0.7661    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   -0.9930    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8382   -1.6632    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8707   -1.1972    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
 14  2  1  1  0  0  0
  2 41  1  0  0  0  0
  3 17  1  0  0  0  0
  3 23  1  0  0  0  0
  4 11  1  0  0  0  0
  4 15  1  0  0  0  0
  4 19  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5  8  1  6  0  0  0
  5 10  1  0  0  0  0
  6  9  1  0  0  0  0
  6 25  1  6  0  0  0
  7 12  1  0  0  0  0
  7 13  2  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 14  1  0  0  0  0
  9 28  1  0  0  0  0
  9 29  1  0  0  0  0
 10 16  2  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 17  2  0  0  0  0
 13 15  1  0  0  0  0
 13 18  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 20  1  0  0  0  0
 18 20  2  0  0  0  0
 18 37  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
 20 40  1  0  0  0  0
 21 22  1  0  0  0  0
 21 24  2  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
 23 45  1  0  0  0  0
 23 46  1  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
M  END

$$$$
D00YIS
  -OEChem-10191521502D

 35 36  0     1  0  0  0  0  0999 V2000
    5.4641    3.2500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    1.7500    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    4.2500    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    6.4641    3.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4641    3.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    1.2500    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    6.8301    2.6160    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    5.8301    0.8840    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
    5.4641    2.2500    0.0000 C   0  0  3  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
    4.5981    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.2500    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
    3.7320   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.7500    0.0000 C   0  0  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
    2.8660   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.7500    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   -4.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9272    2.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3860    2.3326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9875    1.6423    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951    0.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    0.5600    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
    4.5981   -1.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -2.4400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -2.4400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -4.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -4.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -4.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  1  5  2  0  0  0  0
  1 10  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
  2 10  1  0  0  0  0
  9 15  1  0  0  0  0
  9 18  1  0  0  0  0
 10 11  1  0  0  0  0
 10 24  1  0  0  0  0
 11 12  1  0  0  0  0
 11 25  1  0  0  0  0
 11 26  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 13 15  1  0  0  0  0
 13 27  1  0  0  0  0
 14 16  2  0  0  0  0
 14 28  1  0  0  0  0
 15 17  2  0  0  0  0
 16 17  1  0  0  0  0
 16 29  1  0  0  0  0
 17 30  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 31  1  0  0  0  0
 20 22  2  0  0  0  0
 20 32  1  0  0  0  0
 21 23  2  0  0  0  0
 21 33  1  0  0  0  0
 22 23  1  0  0  0  0
 22 34  1  0  0  0  0
 23 35  1  0  0  0  0
M  CHG  3   3  -1   6  -1   7  -1
M  END

$$$$
D00YNA
  -OEChem-10101305022D

 30 32  0     0  0  0  0  0  0999 V2000
    3.8611   -0.3450    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.9380   -3.9328    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8080    4.0512    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1701    0.6061    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6701   -0.9328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6701   -1.9328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5823    1.4151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1701    0.6061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4791   -0.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8041   -2.4328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5361   -2.4328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9890    2.3286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5878    1.3106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8041   -3.4328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4013    3.1376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5361   -3.4328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.1196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6701   -3.9328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4067    3.0331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0688   -0.5366    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2671   -2.1228    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0730   -2.1228    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6056    2.3934    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3356    0.7442    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0730   -3.7428    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3834    2.0548    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6701   -4.5528    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0423    3.5347    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9380   -4.5528    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4436    4.5528    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1  8  1  0  0  0  0
  2 14  1  0  0  0  0
  2 29  1  0  0  0  0
  3 15  1  0  0  0  0
  3 30  1  0  0  0  0
  4  8  2  0  0  0  0
  4  9  1  0  0  0  0
  5  6  1  0  0  0  0
  5  9  2  0  0  0  0
  6 10  2  0  0  0  0
  6 11  1  0  0  0  0
  7  8  1  0  0  0  0
  7 12  2  0  0  0  0
  7 13  1  0  0  0  0
  9 20  1  0  0  0  0
 10 14  1  0  0  0  0
 10 21  1  0  0  0  0
 11 16  2  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 17  2  0  0  0  0
 13 24  1  0  0  0  0
 14 18  2  0  0  0  0
 15 19  2  0  0  0  0
 16 18  1  0  0  0  0
 16 25  1  0  0  0  0
 17 19  1  0  0  0  0
 17 26  1  0  0  0  0
 18 27  1  0  0  0  0
 19 28  1  0  0  0  0
M  END

$$$$
D00YNI
  -OEChem-10191522172D

 55 57  0     1  0  0  0  0  0999 V2000
    5.9088   -0.8608    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000    0.2627    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3104    1.9455    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4399   -3.7656    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000    1.9948    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9088    1.3862    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6208    4.0163    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9339   -0.6382    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.5000    0.2627    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.9339    1.1637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.6906    0.7627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 29 53  1  0  0  0  0
 29 54  1  0  0  0  0
 29 55  1  0  0  0  0
M  END

$$$$
D00YNW
  -OEChem-10191522222D

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 41 86  1  0  0  0  0
M  END

$$$$
D00YNY
  -OEChem-10121500462D

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    6.6227    3.1108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0000   -3.0233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.0233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1 20  1  0  0  0  0
  2  9  1  0  0  0  0
  2 10  1  0  0  0  0
  3 19  1  0  0  0  0
  3 31  1  0  0  0  0
  4  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 21  1  0  0  0  0
  5  7  1  0  0  0  0
  5  9  2  0  0  0  0
  6  7  1  0  0  0  0
  6 11  2  0  0  0  0
  6 12  1  0  0  0  0
  7 10  2  0  0  0  0
  8 13  2  0  0  0  0
  8 14  1  0  0  0  0
 10 22  1  0  0  0  0
 11 15  1  0  0  0  0
 11 23  1  0  0  0  0
 12 16  2  0  0  0  0
 12 24  1  0  0  0  0
 13 17  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
 15 20  2  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 19  2  0  0  0  0
 17 29  1  0  0  0  0
 18 19  1  0  0  0  0
 18 30  1  0  0  0  0
M  END

$$$$
D00YOM
  -OEChem-10101305022D

 33 35  0     0  0  0  0  0  0999 V2000
    6.3301   -1.8100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    1.1900    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0901    1.2247    0.0000 N   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   -0.8100    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   -0.8100    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
    3.7320   -0.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0901   -0.8447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9962    0.7108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9962   -0.3308    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   -0.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8602    1.2142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1996   -1.2850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.9272    1.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    1.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0829   -1.4646    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5319   -0.6429    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    1.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.4300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -0.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1723    0.6784    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3960    1.5262    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5482    1.7499    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    1.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  2  0  0  0  0
  2  8  1  0  0  0  0
  2 10  1  0  0  0  0
  2 23  1  0  0  0  0
  3  8  1  0  0  0  0
  3 12  2  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  4 10  2  0  0  0  0
  5  9  1  0  0  0  0
  5 20  1  0  0  0  0
  5 21  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  2  0  0  0  0
  6 11  1  0  0  0  0
  9 14  2  0  0  0  0
  9 15  1  0  0  0  0
 10 22  1  0  0  0  0
 11 13  2  0  0  0  0
 11 24  1  0  0  0  0
 12 13  1  0  0  0  0
 12 18  1  0  0  0  0
 13 25  1  0  0  0  0
 14 16  1  0  0  0  0
 14 26  1  0  0  0  0
 15 17  2  0  0  0  0
 15 27  1  0  0  0  0
 16 19  2  0  0  0  0
 16 28  1  0  0  0  0
 17 19  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
 19 33  1  0  0  0  0
M  END

$$$$
D00YPH
  -OEChem-10101305022D

 31 33  0     0  0  0  0  0  0999 V2000
    3.7320   -0.6900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.1900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -2.1900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.3100    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.6900    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
    6.3301    0.8100    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
    3.7320    1.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2241   -0.7247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2241    1.3447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1301   -0.2108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1301    0.8308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.3100    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
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    2.8660    2.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0000    2.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2169   -1.3446    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8660    0.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.5981   -2.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  1 30  1  0  0  0  0
  2 17  1  0  0  0  0
  2 31  1  0  0  0  0
  3 17  2  0  0  0  0
  4  7  2  0  0  0  0
  4  8  1  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  5 11  2  0  0  0  0
  6  9  2  0  0  0  0
  6 17  1  0  0  0  0
  7  9  1  0  0  0  0
  7 10  1  0  0  0  0
  8 12  2  0  0  0  0
 10 15  2  0  0  0  0
 10 16  1  0  0  0  0
 11 13  1  0  0  0  0
 11 21  1  0  0  0  0
 12 14  1  0  0  0  0
 12 22  1  0  0  0  0
 13 14  2  0  0  0  0
 13 23  1  0  0  0  0
 14 24  1  0  0  0  0
 15 18  1  0  0  0  0
 15 25  1  0  0  0  0
 16 19  2  0  0  0  0
 16 26  1  0  0  0  0
 18 20  2  0  0  0  0
 18 27  1  0  0  0  0
 19 20  1  0  0  0  0
 19 28  1  0  0  0  0
 20 29  1  0  0  0  0
M  END

$$$$
D00YPO
  -OEChem-10101305022D

 43 46  0     1  0  0  0  0  0999 V2000
    6.8529    4.2292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2101    2.5344    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -4.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2531    2.1219    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.9889   -1.4739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2619   -3.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9209    1.3776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5637    3.0724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1 23  2  0  0  0  0
  2  6  1  0  0  0  0
  2 13  1  0  0  0  0
  2 14  1  0  0  0  0
  3 11  1  0  0  0  0
  3 14  2  0  0  0  0
  4  5  1  0  0  0  0
  4 15  2  0  0  0  0
  5 23  1  0  0  0  0
  5 43  1  0  0  0  0
  6  7  1  0  0  0  0
  6 11  2  0  0  0  0
  7  8  1  0  0  0  0
  7 24  1  0  0  0  0
  7 25  1  0  0  0  0
  8  9  1  0  0  0  0
  8 26  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 11  1  0  0  0  0
 10 30  1  0  0  0  0
 10 31  1  0  0  0  0
 12 15  1  0  0  0  0
 12 16  1  0  0  0  0
 12 20  1  0  0  0  0
 12 32  1  0  0  0  0
 13 18  2  0  0  0  0
 13 19  1  0  0  0  0
 14 33  1  0  0  0  0
 15 17  1  0  0  0  0
 16 23  1  0  0  0  0
 16 34  1  0  0  0  0
 16 35  1  0  0  0  0
 17 21  2  0  0  0  0
 17 22  1  0  0  0  0
 18 21  1  0  0  0  0
 18 36  1  0  0  0  0
 19 22  2  0  0  0  0
 19 37  1  0  0  0  0
 20 38  1  0  0  0  0
 20 39  1  0  0  0  0
 20 40  1  0  0  0  0
 21 41  1  0  0  0  0
 22 42  1  0  0  0  0
M  END

$$$$
D00YRF
          11230700072D 1   1.00000     0.00000     0

 30 34  0     0  0            999 V2000
    2.2588   -6.6548    0.0000 C   0  0  0  0  0  0           0  0  0
    2.9672   -6.6506    0.0000 N   0  0  3  0  0  0           0  0  0
    3.3249   -7.2620    0.0000 C   0  0  0  0  0  0           0  0  0
    2.2547   -5.9464    0.0000 C   0  0  3  0  0  0           0  0  0
    2.9630   -5.9423    0.0000 C   0  0  0  0  0  0           0  0  0
    0.0933   -2.3575    0.0000 C   0  0  0  0  0  0           0  0  0
    0.8043   -2.3718    0.0000 C   0  0  0  0  0  0           0  0  0
    1.1459   -2.9924    0.0000 C   0  0  0  0  0  0           0  0  0
    0.7745   -3.6006    0.0000 C   0  0  0  0  0  0           0  0  0
    0.0605   -3.5821    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.2767   -2.9639    0.0000 C   0  0  0  0  0  0           0  0  0
    0.7800   -4.8285    0.0000 C   0  0  3  0  0  0           0  0  0
    1.1315   -4.2094    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.1198   -5.0448    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.1233   -5.7554    0.0000 C   0  0  0  0  0  0           0  0  0
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 13  9  1  0     0  0
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 22 26  2  0     0  0
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 29 30  2  0     0  0
 30 22  1  0     0  0
 25  4  1  0     0  0
M  END

$$$$
D00YTQ
  -OEChem-04152109362D

 38 39  0     0  0  0  0  0  0999 V2000
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M  END

$$$$
D00YUO
  -OEChem-04152122272D

 23 23  0     0  0  0  0  0  0999 V2000
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 13 20  1  0  0  0  0
 13 21  1  0  0  0  0
M  END

$$$$
D00YUX
  -OEChem-10191521382D

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M  END

$$$$
D00YVE
  -OEChem-10101305022D

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  7 10  1  0  0  0  0
  7 12  2  0  0  0  0
  8 10  2  0  0  0  0
  8 19  1  0  0  0  0
  9 20  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
 11 13  1  0  0  0  0
 11 24  1  0  0  0  0
 12 14  1  0  0  0  0
 12 27  1  0  0  0  0
 13 14  2  0  0  0  0
 13 28  1  0  0  0  0
 14 29  1  0  0  0  0
M  END

$$$$
D00YVJ
  -OEChem-10101305022D

 75 75  0     1  0  0  0  0  0999 V2000
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 10 34  2  0  0  0  0
 16 11  1  1  0  0  0
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 25 34  1  0  0  0  0
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 25 53  1  0  0  0  0
 27 33  1  0  0  0  0
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 29 63  1  0  0  0  0
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 30 61  1  0  0  0  0
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 30 66  1  0  0  0  0
 31 67  1  0  0  0  0
 31 68  1  0  0  0  0
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 33 35  2  0  0  0  0
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 35 37  1  0  0  0  0
 35 71  1  0  0  0  0
 36 38  2  0  0  0  0
 36 72  1  0  0  0  0
 37 39  2  0  0  0  0
 38 39  1  0  0  0  0
 38 74  1  0  0  0  0
M  END

$$$$
D00YWZ
  -OEChem-10101305022D

 28 30  0     0  0  0  0  0  0999 V2000
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  4 27  1  0  0  0  0
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  7 11  2  0  0  0  0
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 11 14  1  0  0  0  0
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 13 21  1  0  0  0  0
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 14 22  1  0  0  0  0
 15 16  1  0  0  0  0
 15 23  1  0  0  0  0
 17 24  1  0  0  0  0
M  END

$$$$
D00YXE
  -OEChem-10101305022D

 29 32  0     0  0  0  0  0  0999 V2000
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  2 21  1  0  0  0  0
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  4 11  1  0  0  0  0
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 10 15  2  0  0  0  0
 10 22  1  0  0  0  0
 11 13  1  0  0  0  0
 11 17  2  0  0  0  0
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 12 23  1  0  0  0  0
 13 18  2  0  0  0  0
 14 24  1  0  0  0  0
 15 16  1  0  0  0  0
 16 25  1  0  0  0  0
 17 19  1  0  0  0  0
 17 26  1  0  0  0  0
 18 20  1  0  0  0  0
 18 27  1  0  0  0  0
 19 20  2  0  0  0  0
 19 28  1  0  0  0  0
 20 29  1  0  0  0  0
M  END

$$$$
D00YXR
          02271000222D 1   1.00000     0.00000     0

 46 45  0     1  0            999 V2000
   10.6079   -8.2826    0.0000 N   0  0  0  0  0  0           0  0  0
   11.2199   -8.6368    0.0000 C   0  0  2  0  0  0           0  0  0
   11.8361   -8.2826    0.0000 C   0  0  0  0  0  0           0  0  0
   11.8361   -7.5743    0.0000 O   0  0  0  0  0  0           0  0  0
   11.2199   -9.3451    0.0000 C   0  0  0  0  0  0           0  0  0
   11.8361   -9.6993    0.0000 C   0  0  3  0  0  0           0  0  0
   11.8361  -10.4076    0.0000 C   0  0  0  0  0  0           0  0  0
   12.4481   -9.3451    0.0000 C   0  0  0  0  0  0           0  0  0
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 11 12  2  0     0  0
 10 13  1  1     0  0
 13 14  1  0     0  0
 14 15  1  0     0  0
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  1  2  1  0     0  0
  2  3  1  0     0  0
 28 29  1  0     0  0
 29 30  1  0     0  0
 30 31  2  0     0  0
 29 32  1  6     0  0
 32 33  1  0     0  0
 33 34  2  0     0  0
 33 35  1  0     0  0
  3  4  2  0     0  0
  2  5  1  6     0  0
  5  6  1  0     0  0
  6  7  1  0     0  0
 18 19  1  0     0  0
 19 20  1  0     0  0
 20 21  2  0     0  0
 19 22  1  6     0  0
 36 37  1  0     0  0
 37 38  1  0     0  0
 38 39  2  0     0  0
 37 40  1  1     0  0
 40 41  1  0     0  0
 41 42  1  0     0  0
 42 43  1  0     0  0
 38 28  1  0     0  0
 30 24  1  0     0  0
 26 18  1  0     0  0
 20  9  1  0     0  0
 11  1  1  0     0  0
 22 23  1  0     0  0
  3 44  1  0     0  0
  6  8  1  0     0  0
 36 45  1  0     0  0
  9 10  1  0     0  0
 45 46  2  0     0  0
 10 11  1  0     0  0
 24 25  1  0     0  0
 25 26  1  0     0  0
 26 27  2  0     0  0
M  END

$$$$
D00ZAJ
  -OEChem-10101305022D

 29 31  0     0  0  0  0  0  0999 V2000
    7.2764    0.0547    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2764   -1.5547    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    6.3301   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.5981   -0.2500    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
    7.8600   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  5  1  0  0  0  0
  1  9  1  0  0  0  0
  1 11  1  0  0  0  0
  2  6  1  0  0  0  0
  2  9  2  0  0  0  0
  3  6  1  0  0  0  0
  3 12  2  0  0  0  0
  4  9  1  0  0  0  0
  4 25  1  0  0  0  0
  4 26  1  0  0  0  0
  5  6  2  0  0  0  0
  5  8  1  0  0  0  0
  7  8  2  0  0  0  0
  7 10  1  0  0  0  0
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  8 18  1  0  0  0  0
 10 13  2  0  0  0  0
 10 14  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 22  1  0  0  0  0
 13 15  1  0  0  0  0
 13 23  1  0  0  0  0
 14 16  2  0  0  0  0
 14 24  1  0  0  0  0
 15 17  2  0  0  0  0
 15 27  1  0  0  0  0
 16 17  1  0  0  0  0
 16 28  1  0  0  0  0
 17 29  1  0  0  0  0
M  END

$$$$
D00ZBH
  -OEChem-10101305032D

 21 21  0     1  0  0  0  0  0999 V2000
    2.5369    1.5485    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    1.5485    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
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  1  7  1  0  0  0  0
  1 19  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
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  3 13  1  0  0  0  0
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  7  8  1  0  0  0  0
  7 14  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 15  1  0  0  0  0
 10 12  2  0  0  0  0
 10 16  1  0  0  0  0
 11 13  2  0  0  0  0
 11 17  1  0  0  0  0
 12 13  1  0  0  0  0
 12 18  1  0  0  0  0
M  END

$$$$
D00ZBL
  -OEChem-04152109492D

 33 35  0     0  0  0  0  0  0999 V2000
    5.5443   -0.1353    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.9400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1279   -0.9400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7320   -1.9400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2 13  1  0  0  0  0
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 10 13  2  0  0  0  0
 10 23  1  0  0  0  0
 11 13  1  0  0  0  0
 11 24  1  0  0  0  0
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 12 15  1  0  0  0  0
 14 17  1  0  0  0  0
 14 25  1  0  0  0  0
 15 18  2  0  0  0  0
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 16 20  2  0  0  0  0
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 17 19  2  0  0  0  0
 17 28  1  0  0  0  0
 18 19  1  0  0  0  0
 18 29  1  0  0  0  0
 20 31  1  0  0  0  0
 20 32  1  0  0  0  0
M  END

$$$$
D00ZBQ
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 45  2  1  0     0  0
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 55 63  1  0     0  0
M  END

$$$$
D00ZCU
  -OEChem-04152109132D

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M  END

$$$$
D00ZDX
  -OEChem-10191521462D

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 18 22  1  0  0  0  0
 18 41  1  0  0  0  0
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 21 27  1  0  0  0  0
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 22 48  1  0  0  0  0
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 23 50  1  0  0  0  0
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 25 26  1  0  0  0  0
 25 27  2  0  0  0  0
 26 53  1  0  0  0  0
 27 28  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
M  END

$$$$
D00ZEY
  -OEChem-10191521572D

 49 51  0     1  0  0  0  0  0999 V2000
   13.7151    2.8034    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   12.4725   -2.6081    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282   -2.8034    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   13.0561   -1.8034    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    5.4641   -2.8034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.7942   -1.3034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.0723    1.1086    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
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 10 20  1  0  0  0  0
 10 35  1  0  0  0  0
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 13 15  1  0  0  0  0
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 19 21  2  0  0  0  0
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 24 26  2  0  0  0  0
 24 46  1  0  0  0  0
 25 26  1  0  0  0  0
 25 47  1  0  0  0  0
M  END

$$$$
D00ZFC
          01310516572D 1   1.00000     0.00000     0

 29 35  0     1  0            999 V2000
    3.3915   -8.0174    0.0000 C   0  0  2  0  0  0           0  0  0
    4.0014   -7.6487    0.0000 O   0  0  0  0  0  0           0  0  0
    3.3750   -7.3044    0.0000 C   0  0  1  0  0  0           0  0  0
    1.5531   -8.4278    0.0000 C   0  0  0  0  0  0           0  0  0
    2.1581   -8.0508    0.0000 C   0  0  0  0  0  0           0  0  0
    2.7849   -8.3902    0.0000 C   0  0  1  0  0  0           0  0  0
    2.8036   -9.1025    0.0000 C   0  0  1  0  0  0           0  0  0
    3.4268   -9.4385    0.0000 C   0  0  0  0  0  0           0  0  0
    4.6244   -7.9896    0.0000 C   0  0  2  0  0  0           0  0  0
    2.2015   -9.4752    0.0000 C   0  0  0  0  0  0           0  0  0
    1.5730   -9.1434    0.0000 C   0  0  0  0  0  0           0  0  0
    1.0604   -9.6389    0.0000 C   0  0  0  0  0  0           0  0  0
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    0.3585   -9.5118    0.0000 O   0  0  0  0  0  0           0  0  0
    3.9865   -6.9302    0.0000 C   0  0  1  0  0  0           0  0  0
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  6  5  1  0     0  0
  6  7  1  0     0  0
 11 12  1  0     0  0
 12 13  1  0     0  0
 13 14  1  0     0  0
 14 10  1  0     0  0
  1  2  1  1     0  0
 12 15  2  0     0  0
 17 16  1  0     0  0
 17 18  1  0     0  0
 16 18  1  0     0  0
  3  2  1  1     0  0
  4 11  1  0     0  0
  6  1  1  0     0  0
 20 19  1  0     0  0
 20 21  1  1     0  0
 19 21  1  1     0  0
  7  8  1  0     0  0
  8 20  1  0     0  0
  1 19  1  0     0  0
  1  3  1  0     0  0
  9 22  1  1     0  0
 19  9  1  0     0  0
 17 23  1  1     0  0
  9 17  1  0     0  0
 23 24  1  0     0  0
 16  3  1  0     0  0
 23 25  1  0     0  0
 10 11  2  0     0  0
 16 26  1  1     0  0
  6 27  1  1     0  0
  4  5  1  0     0  0
  7 28  1  6     0  0
 10  7  1  0     0  0
  9 29  1  0     0  0
M  END

$$$$
D00ZGW
  -OEChem-10101305032D

 43 45  0     0  0  0  0  0  0999 V2000
    8.9282    1.9807    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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    2.3100   -1.5562    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 14  1  0  0  0  0
  2 18  2  0  0  0  0
  3  5  1  0  0  0  0
  3  8  1  0  0  0  0
  3 13  1  0  0  0  0
  4 10  1  0  0  0  0
  4 18  1  0  0  0  0
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  8  9  1  0  0  0  0
  9 14  2  0  0  0  0
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 10 25  1  0  0  0  0
 10 26  1  0  0  0  0
 11 17  1  0  0  0  0
 11 22  1  0  0  0  0
 12 14  1  0  0  0  0
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 12 20  2  0  0  0  0
 13 23  1  0  0  0  0
 13 27  1  0  0  0  0
 13 28  1  0  0  0  0
 15 21  2  0  0  0  0
 15 30  1  0  0  0  0
 16 31  1  0  0  0  0
 17 19  2  0  0  0  0
 17 32  1  0  0  0  0
 19 21  1  0  0  0  0
 19 24  1  0  0  0  0
 20 33  1  0  0  0  0
 21 34  1  0  0  0  0
 22 35  1  0  0  0  0
 22 36  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
 23 40  1  0  0  0  0
 24 41  1  0  0  0  0
 24 42  1  0  0  0  0
 24 43  1  0  0  0  0
M  END

$$$$
D00ZIK
  -OEChem-10101305032D

 49 53  0     0  0  0  0  0  0999 V2000
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    5.3171   -2.0952    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    6.1831   -0.5952    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    2.3107    2.4770    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5998    3.6337    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3171   -1.0952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4511   -0.5952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0492   -2.0952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1831   -2.5952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4511   -2.5952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6464    0.9884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 29 46  1  0  0  0  0
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M  END

$$$$
D00ZJG
  -OEChem-10191521572D

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 30 57  1  0  0  0  0
 30 58  1  0  0  0  0
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M  END

$$$$
D00ZKW
  -OEChem-04152122242D

 33 33  0     1  0  0  0  0  0999 V2000
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M  END

$$$$
D00ZME
  -OEChem-10101305032D

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M  END

$$$$
D00ZMK
  -OEChem-10101305032D

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 51102  1  0  0  0  0
M  END

$$$$
D00ZMN
          06091000082D 1   1.00000     0.00000     0

 15 16  0     0  0            999 V2000
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 11 12  2  0     0  0
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 14  9  1  0     0  0
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  1  7  1  0     0  0
 13 15  1  0     0  0
M  END

$$$$
D00ZMS
  -OEChem-10101305022D

 32 31  0     1  0  0  0  0  0999 V2000
    4.8520    1.6900    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    3.1200    1.6900    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    2.2540    2.1900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7181    2.1900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3520    0.8240    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6200    0.8240    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6200    2.5560    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.9860    1.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
  1  7  2  0  0  0  0
  1 10  1  0  0  0  0
  2  3  1  0  0  0  0
  2  6  1  0  0  0  0
  2  8  2  0  0  0  0
  2 10  1  0  0  0  0
  3 32  1  0  0  0  0
  4 31  1  0  0  0  0
  5 30  1  0  0  0  0
  6 29  1  0  0  0  0
  9 11  1  0  0  0  0
  9 12  1  0  0  0  0
  9 20  1  0  0  0  0
 10 11  1  0  0  0  0
 10 16  1  0  0  0  0
 11 17  1  0  0  0  0
 11 18  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 12 19  1  0  0  0  0
 13 15  1  0  0  0  0
 13 21  1  0  0  0  0
 13 22  1  0  0  0  0
 14 23  1  0  0  0  0
 14 24  1  0  0  0  0
 14 25  1  0  0  0  0
 15 26  1  0  0  0  0
 15 27  1  0  0  0  0
 15 28  1  0  0  0  0
M  END

$$$$
D00ZMY
  -OEChem-10101305022D

 44 46  0     0  0  0  0  0  0999 V2000
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    5.4641   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.3301    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1 10  1  0  0  0  0
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  3  9  1  0  0  0  0
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  6 31  1  0  0  0  0
  7  8  1  0  0  0  0
  7 28  1  0  0  0  0
  7 29  1  0  0  0  0
  8 32  1  0  0  0  0
  8 33  1  0  0  0  0
  9 10  1  0  0  0  0
  9 34  1  0  0  0  0
  9 35  1  0  0  0  0
 11 12  1  0  0  0  0
 11 14  2  0  0  0  0
 12 13  2  0  0  0  0
 12 36  1  0  0  0  0
 13 15  1  0  0  0  0
 13 16  1  0  0  0  0
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 14 37  1  0  0  0  0
 15 18  2  0  0  0  0
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 16 17  2  0  0  0  0
 16 38  1  0  0  0  0
 17 39  1  0  0  0  0
 18 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
 20 22  2  0  0  0  0
 20 42  1  0  0  0  0
 21 22  1  0  0  0  0
 21 43  1  0  0  0  0
 22 44  1  0  0  0  0
M  END

$$$$
D00ZPJ
  -OEChem-10101305022D

 40 42  0     0  0  0  0  0  0999 V2000
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    3.7332    8.3055    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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    4.3961    1.1546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.2901    2.6893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 10 14  1  0  0  0  0
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 25 39  1  0  0  0  0
M  END

$$$$
D00ZSD
  -OEChem-10101305022D

 34 34  0     1  0  0  0  0  0999 V2000
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 15 30  1  0  0  0  0
 16 17  1  0  0  0  0
 16 31  1  0  0  0  0
 17 33  1  0  0  0  0
M  END

$$$$
D00ZUQ
  -OEChem-10101305022D

 32 32  0     0  0  0  0  0  0999 V2000
    4.5981    3.0950    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.9050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  3  2  0  0  0  0
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  1  6  1  0  0  0  0
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 17 30  1  0  0  0  0
 17 31  1  0  0  0  0
 17 32  1  0  0  0  0
M  END

$$$$
D00ZWA
  -OEChem-10191522352D

 68 67  0     1  0  0  0  0  0999 V2000
   11.5263    0.2035    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
    9.7942    0.2035    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
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 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
M  END

$$$$
D00ZWU
  -OEChem-10101305022D

 43 45  0     0  0  0  0  0  0999 V2000
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  7 29  1  0  0  0  0
  8 12  1  0  0  0  0
  8 30  1  0  0  0  0
  9 13  2  0  0  0  0
  9 31  1  0  0  0  0
 10 12  2  0  0  0  0
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 11 32  1  0  0  0  0
 11 33  1  0  0  0  0
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 12 35  1  0  0  0  0
 13 36  1  0  0  0  0
 15 17  2  0  0  0  0
 15 19  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 16 20  2  0  0  0  0
 17 38  1  0  0  0  0
 18 21  2  0  0  0  0
 19 39  1  0  0  0  0
 20 22  1  0  0  0  0
 20 40  1  0  0  0  0
 21 23  1  0  0  0  0
 21 41  1  0  0  0  0
 22 23  2  0  0  0  0
 22 42  1  0  0  0  0
 23 43  1  0  0  0  0
M  END

$$$$
D00ZXX
  -OEChem-10191522032D

 57 60  0     1  0  0  0  0  0999 V2000
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    7.2425    0.4405    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.2457   -2.9520    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
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  2 19  1  0  0  0  0
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 10 12  1  0  0  0  0
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 11 12  1  0  0  0  0
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 13 18  1  0  0  0  0
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 14 37  1  0  0  0  0
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 15 39  1  0  0  0  0
 16 17  2  0  0  0  0
 16 40  1  0  0  0  0
 17 41  1  0  0  0  0
 19 42  1  0  0  0  0
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 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 22 24  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 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 47  1  0  0  0  0
 27 29  1  0  0  0  0
 27 48  1  0  0  0  0
 27 49  1  0  0  0  0
 28 30  1  0  0  0  0
 28 50  1  0  0  0  0
 28 51  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
 30 56  1  0  0  0  0
 30 57  1  0  0  0  0
M  END

$$$$
D00ZYK
  -OEChem-10191522142D

 25 26  0     0  0  0  0  0  0999 V2000
    7.2566    1.9615    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6103    2.4996    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783   -1.9615    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783   -0.3520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.6567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9889    0.5985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.6567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2619   -1.1567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9674    0.8047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.1567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.2781    1.7552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.4631   -1.9667    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4492    2.5508    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 14  1  0  0  0  0
  1 25  1  0  0  0  0
  2 14  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  3 20  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  7  1  0  0  0  0
  5 10  2  0  0  0  0
  6  9  1  0  0  0  0
  6 15  1  0  0  0  0
  6 16  1  0  0  0  0
  7 11  2  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 19  1  0  0  0  0
 10 12  1  0  0  0  0
 10 21  1  0  0  0  0
 11 13  1  0  0  0  0
 11 22  1  0  0  0  0
 12 13  2  0  0  0  0
 12 23  1  0  0  0  0
 13 24  1  0  0  0  0
M  END

$$$$
D01AAD
  -OEChem-10101305022D

 40 45  0     0  0  0  0  0  0999 V2000
   10.6219    2.3702    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8064    3.7578    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660    0.2422    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   10.7173    3.3597    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.3248    3.2356    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9045    3.9507    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 21  1  0  0  0  0
  1 28  1  0  0  0  0
  2 24  1  0  0  0  0
  2 28  1  0  0  0  0
  3 12  2  0  0  0  0
  4 15  2  0  0  0  0
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  7 12  1  0  0  0  0
  8 10  2  0  0  0  0
  9 15  1  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
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 20  2  0  0  0  0
 14 15  1  0  0  0  0
 14 22  2  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 19  2  0  0  0  0
 18 23  1  0  0  0  0
 19 21  1  0  0  0  0
 19 32  1  0  0  0  0
 20 26  1  0  0  0  0
 20 33  1  0  0  0  0
 21 24  2  0  0  0  0
 22 27  1  0  0  0  0
 22 35  1  0  0  0  0
 23 25  2  0  0  0  0
 23 34  1  0  0  0  0
 24 25  1  0  0  0  0
 25 36  1  0  0  0  0
 26 27  2  0  0  0  0
 26 37  1  0  0  0  0
 27 38  1  0  0  0  0
 28 39  1  0  0  0  0
 28 40  1  0  0  0  0
M  END

$$$$
D01AAI
  -OEChem-10191522502D

 45 48  0     0  0  0  0  0  0999 V2000
    2.8660   -1.0000    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
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    4.5981    1.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8660    4.0000    0.0000 N   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
    6.3301    2.0000    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    2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2241    0.4653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7320    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1 28  1  0  0  0  0
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 17 19  1  0  0  0  0
 17 20  2  0  0  0  0
 19 23  2  0  0  0  0
 20 24  1  0  0  0  0
 20 35  1  0  0  0  0
 21 26  2  0  0  0  0
 21 36  1  0  0  0  0
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 25 40  1  0  0  0  0
 26 27  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
 28 44  1  0  0  0  0
 28 45  1  0  0  0  0
M  END

$$$$
D01ABR
  -OEChem-10101305022D

 52 54  0     1  0  0  0  0  0999 V2000
    4.5981   -1.5600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    8.0622    1.4400    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
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    6.3301    2.4400    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
    8.0622   -0.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.0622   -1.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0000   -2.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6592    0.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   10.3312   -0.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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 13 17  2  0  0  0  0
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 15 20  1  0  0  0  0
 15 39  1  0  0  0  0
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 20 21  2  0  0  0  0
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 22 23  1  0  0  0  0
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 22 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 50  1  0  0  0  0
 24 51  1  0  0  0  0
 24 52  1  0  0  0  0
M  END

$$$$
D01ACT
  -OEChem-10101305022D

 30 30  0     0  0  0  0  0  0999 V2000
    4.5981    3.1900    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.8100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.6900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.8100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0981    4.0560    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0981    2.3240    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0000   -3.3100    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
    3.7320   -0.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.6900    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
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  1  3  1  0  0  0  0
  1  5  2  0  0  0  0
  1  6  2  0  0  0  0
  1  7  1  0  0  0  0
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  2 14  1  0  0  0  0
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  4 14  2  0  0  0  0
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  8 17  1  0  0  0  0
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 10 12  2  0  0  0  0
 10 13  1  0  0  0  0
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 11 15  2  0  0  0  0
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 12 22  1  0  0  0  0
 13 16  2  0  0  0  0
 13 23  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
 17 27  1  0  0  0  0
 17 28  1  0  0  0  0
M  END

$$$$
D01ADA
  -OEChem-04152110312D

 46 49  0     1  0  0  0  0  0999 V2000
    4.3198    2.0016    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END

$$$$
D01ADK
  -OEChem-10101305022D

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 57114  1  0  0  0  0
 58 61  1  0  0  0  0
 58115  1  0  0  0  0
 58116  1  0  0  0  0
 61 62  2  0  0  0  0
 61 63  1  0  0  0  0
 62 64  1  0  0  0  0
 62118  1  0  0  0  0
 63 65  2  0  0  0  0
 63119  1  0  0  0  0
 64 66  2  0  0  0  0
 64123  1  0  0  0  0
 65 66  1  0  0  0  0
 65124  1  0  0  0  0
 66125  1  0  0  0  0
M  END

$$$$
D01AFH
  -OEChem-10101305032D

 32 33  0     0  0  0  0  0  0999 V2000
    6.8671   -1.0000    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
    2.5369    0.5000    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
    5.1350    4.0000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.4030    4.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    3.5000    0.0000 N   0  3  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
    5.1350    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
    4.2690    2.5000    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
    6.0010   -0.5000    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
    3.4030    1.0000    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
    7.7331   -2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331   -3.5000    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
    5.6720    2.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -0.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3905   -0.3923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7890   -1.0826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -2.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2700   -2.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -3.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2700   -3.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -4.6200    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
    2.5369   -0.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  1  0  0  0  0
  1 16  1  0  0  0  0
  2 14  1  0  0  0  0
  2 31  1  0  0  0  0
  3 15  1  0  0  0  0
  3 32  1  0  0  0  0
  4 10  2  0  0  0  0
  5  7  1  0  0  0  0
  6  7  2  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 12  1  0  0  0  0
  9 11  1  0  0  0  0
  9 22  1  0  0  0  0
 10 13  1  0  0  0  0
 11 14  2  0  0  0  0
 12 15  2  0  0  0  0
 12 23  1  0  0  0  0
 13 24  1  0  0  0  0
 13 25  1  0  0  0  0
 14 15  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 26  1  0  0  0  0
 18 20  2  0  0  0  0
 18 27  1  0  0  0  0
 19 21  2  0  0  0  0
 19 28  1  0  0  0  0
 20 21  1  0  0  0  0
 20 29  1  0  0  0  0
 21 30  1  0  0  0  0
M  CHG  2   5  -1   7   1
M  END

$$$$
D01AFV
  -OEChem-10101305022D

 35 36  0     0  0  0  0  0  0999 V2000
    8.5991   -2.5000    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -0.5000    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
    3.4030    0.5000    0.0000 O   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
    7.7331    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
    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
    6.8671    2.5000    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
    6.0010   -1.0000    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
    6.0010   -2.0000    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
    6.8671   -2.5000    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
    3.4030   -0.5000    0.0000 C   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
    7.9451    0.4174    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3437    1.1077    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
    5.7890    0.4174    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3437    1.8923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9451    2.5826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7890    2.5826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3905    1.8923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2656    2.9750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4685    2.9750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2700   -0.6900    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
    6.8671   -3.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8705   -1.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6675   -1.4750    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
  1 15  1  0  0  0  0
  2 12  1  0  0  0  0
  2 17  1  0  0  0  0
  3 18  1  0  0  0  0
  3 35  1  0  0  0  0
  4 18  2  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 11  1  0  0  0  0
  5 19  1  0  0  0  0
  6  8  1  0  0  0  0
  6 20  1  0  0  0  0
  6 21  1  0  0  0  0
  7  9  1  0  0  0  0
  7 22  1  0  0  0  0
  7 23  1  0  0  0  0
  8 10  1  0  0  0  0
  8 24  1  0  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 28  1  0  0  0  0
 10 29  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 12 14  1  0  0  0  0
 13 15  2  0  0  0  0
 13 30  1  0  0  0  0
 14 16  2  0  0  0  0
 14 31  1  0  0  0  0
 15 16  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
 17 34  1  0  0  0  0
M  END

$$$$
D01AGR
  -OEChem-10101305022D

 35 37  0     0  0  0  0  0  0999 V2000
    2.8660   -4.8274    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.6750   -0.2397    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9483    1.4159    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5471    2.4340    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7336    4.2610    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1349    3.2430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5526    2.5385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7281    4.1565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1458    3.4520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9538    1.5204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3660    0.7114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3660    0.7114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.8274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0570   -0.2397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.8274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.3274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.3274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.3274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.3274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.8274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5656    2.7970    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6489    3.5897    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9510    2.3885    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5958    1.9200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3297    4.3065    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6849    4.7750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7151    3.8980    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6318    3.1053    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4814    4.8274    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0016    1.2130    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4674   -0.4313    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -2.0175    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -2.0175    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -3.6374    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -3.6374    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 20  1  0  0  0  0
  2 11  1  0  0  0  0
  2 13  1  0  0  0  0
  3 10  2  0  0  0  0
  4  6  1  0  0  0  0
  4  7  1  0  0  0  0
  4 10  1  0  0  0  0
  5  8  1  0  0  0  0
  5  9  1  0  0  0  0
  5 29  1  0  0  0  0
  6  8  1  0  0  0  0
  6 21  1  0  0  0  0
  6 22  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 27  1  0  0  0  0
  9 28  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 14  1  0  0  0  0
 12 30  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  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 18  1  0  0  0  0
 16 32  1  0  0  0  0
 17 19  2  0  0  0  0
 17 33  1  0  0  0  0
 18 20  2  0  0  0  0
 18 34  1  0  0  0  0
 19 20  1  0  0  0  0
 19 35  1  0  0  0  0
M  END

$$$$
D01AHL
  -OEChem-10101305022D

 27 29  0     1  0  0  0  0  0999 V2000
    8.7931   -1.4303    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4166    0.5178    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7304    0.8425    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.9213    1.4303    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4213   -0.1085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7458    1.0748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1123    0.8425    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4213   -0.1085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4487    0.3061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1063   -0.8933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1268   -0.6846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0969    1.0748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7364   -0.8933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3940    0.3061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7158   -0.6846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8546    1.4499    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3362    1.8910    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5065    1.8910    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2681    1.4087    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5061    1.6466    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9969    0.0164    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8279    0.7966    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9079   -1.4807    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9122    1.6666    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9348   -1.4807    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3028   -1.1469    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.0586    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  2  0  0  0  0
  2 14  1  0  0  0  0
  2 27  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3  6  1  0  0  0  0
  3 16  1  0  0  0  0
  4  7  1  0  0  0  0
  4 17  1  0  0  0  0
  4 18  1  0  0  0  0
  5  8  1  0  0  0  0
  5 10  2  0  0  0  0
  6  9  1  0  0  0  0
  6 19  1  0  0  0  0
  6 20  1  0  0  0  0
  7  8  2  0  0  0  0
  7 12  1  0  0  0  0
  8 13  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
 12 14  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 15  1  0  0  0  0
 15 26  1  0  0  0  0
M  END

$$$$
D01AJQ
  -OEChem-10101305032D

 46 47  0     1  0  0  0  0  0999 V2000
    5.8615    0.8145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7588   -0.7992    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5525   -1.7546    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0694    1.7607    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9052   -1.2194    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7158    1.2227    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2653   -2.9136    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.3586    2.9175    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8126   -0.4945    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    5.2737    0.0055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3424    0.0055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5743   -1.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0479    1.9670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2872   -3.1215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3371    3.1237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9782   -4.0725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.6263    4.2804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 12  4  1  6  0  0  0
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 10 12  1  0  0  0  0
 10 24  1  1  0  0  0
 11 13  1  0  0  0  0
 11 25  1  0  0  0  0
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 12 26  1  0  0  0  0
 13 27  1  0  0  0  0
 13 28  1  0  0  0  0
 14 29  1  0  0  0  0
 14 30  1  0  0  0  0
 17 19  1  0  0  0  0
 17 33  1  0  0  0  0
 17 34  1  0  0  0  0
 18 20  1  0  0  0  0
 18 35  1  0  0  0  0
 18 36  1  0  0  0  0
 19 21  1  0  0  0  0
 19 37  1  0  0  0  0
 19 38  1  0  0  0  0
 20 22  1  0  0  0  0
 20 39  1  0  0  0  0
 20 40  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

$$$$
D01AJZ
  -OEChem-10101305022D

 29 31  0     0  0  0  0  0  0999 V2000
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    3.5823    2.0626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  3  9  1  0  0  0  0
  3 17  2  0  0  0  0
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  7 20  1  0  0  0  0
  8 21  1  0  0  0  0
  9 14  2  0  0  0  0
 10 12  2  0  0  0  0
 10 22  1  0  0  0  0
 11 13  1  0  0  0  0
 11 23  1  0  0  0  0
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 13 15  2  0  0  0  0
 13 24  1  0  0  0  0
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 14 25  1  0  0  0  0
 15 26  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
 18 29  1  0  0  0  0
M  END

$$$$
D01ALJ
          03261000362D 1   1.00000     0.00000     0

 14 14  0     0  0            999 V2000
   -1.0509   -1.6754    0.0000 C   0  0  0  0  0  0           0  0  0
    0.2970   -0.8948    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.0433   -3.2175    0.0000 C   0  0  0  0  0  0           0  0  0
   -2.3836   -0.8948    0.0000 C   0  0  0  0  0  0           0  0  0
    0.2894    0.6397    0.0000 C   0  0  0  0  0  0           0  0  0
   -2.3760   -3.9676    0.0000 C   0  0  0  0  0  0           0  0  0
   -3.7163   -1.6678    0.0000 C   0  0  0  0  0  0           0  0  0
    1.6373    1.4126    0.0000 O   0  0  0  0  0  0           0  0  0
   -3.7087   -3.1946    0.0000 C   0  0  0  0  0  0           0  0  0
    2.9776    0.6321    0.0000 C   0  0  0  0  0  0           0  0  0
    4.3103    1.4126    0.0000 C   0  0  0  0  0  0           0  0  0
    2.9700   -0.9100    0.0000 O   0  0  0  0  0  0           0  0  0
    4.3027    2.9548    0.0000 C   0  0  0  0  0  0           0  0  0
    2.9700    3.7277    0.0000 C   0  0  0  0  0  0           0  0  0
  1  2  1  0     0  0
  1  3  2  0     0  0
  1  4  1  0     0  0
  2  5  1  0     0  0
  3  6  1  0     0  0
  4  7  2  0     0  0
  5  8  1  0     0  0
  6  9  2  0     0  0
  8 10  1  0     0  0
 10 11  1  0     0  0
 10 12  2  0     0  0
 11 13  1  0     0  0
 13 14  1  0     0  0
  7  9  1  0     0  0
M  END

$$$$
D01ALP
          05211001122D 1   1.00000     0.00000     0

 25 25  0     0  0            999 V2000
    7.5209   -4.4834    0.0000 C   0  0  3  0  0  0           0  0  0
    8.1334   -4.8459    0.0000 P   0  0  3  0  0  0           0  0  0
    7.1667   -3.8709    0.0000 P   0  0  3  0  0  0           0  0  0
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    8.4834   -5.4542    0.0000 O   0  0  0  0  0  0           0  0  0
    6.5459   -3.5084    0.0000 O   0  0  0  0  0  0           0  0  0
    6.9084   -4.8459    0.0000 C   0  0  0  0  0  0           0  0  0
    5.0709   -4.4834    0.0000 N   0  0  0  0  0  0           0  0  0
    5.6834   -4.8459    0.0000 C   0  0  0  0  0  0           0  0  0
    6.2959   -4.4834    0.0000 C   0  0  0  0  0  0           0  0  0
    4.4536   -4.8309    0.0000 C   0  0  0  0  0  0           0  0  0
    3.8441   -4.4701    0.0000 C   0  0  0  0  0  0           0  0  0
    3.8561   -3.7639    0.0000 C   0  0  0  0  0  0           0  0  0
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    2.6292   -3.7508    0.0000 N   0  0  0  0  0  0           0  0  0
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    2.6144   -5.8796    0.0000 O   0  0  0  0  0  0           0  0  0
 12 13  1  0     0  0
 13 14  1  0     0  0
 14 11  1  0     0  0
 12 15  1  0     0  0
  2  1  1  0     0  0
 15 16  1  0     0  0
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 16 17  2  0     0  0
  4  2  2  0     0  0
 17 18  1  0     0  0
  5  3  2  0     0  0
 18 19  2  0     0  0
  6  1  1  0     0  0
 19 20  1  0     0  0
  7  2  1  0     0  0
 20 21  2  0     0  0
 21 16  1  0     0  0
  8  3  1  0     0  0
 17 22  1  0     0  0
  9  2  1  0     0  0
 18 23  1  0     0  0
 10  3  1  0     0  0
 21 24  1  0     0  0
 11  1  1  0     0  0
 24 25  1  0     0  0
M  END

$$$$
D01ALS
  -OEChem-10101305022D

 20 21  0     0  0  0  0  0  0999 V2000
    3.2601    1.4146    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.2313    0.1243    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.7601   -0.1243    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9511    0.4635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5691    0.4635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2601    1.4146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.4223   -0.4635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7313   -1.4146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7313   -1.4146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0403   -0.4635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5202    0.1545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.8084    0.7442    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.6245    1.9162    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3668   -1.9162    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0957   -1.9162    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6299   -0.2719    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
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  2  8  1  0  0  0  0
  2 11  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  4  7  1  0  0  0  0
  5  6  2  0  0  0  0
  5 12  1  0  0  0  0
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  9 10  1  0  0  0  0
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 10 11  2  0  0  0  0
 10 19  1  0  0  0  0
 11 20  1  0  0  0  0
 12 13  3  0  0  0  0
M  END

$$$$
D01AMS
  -OEChem-04152110342D

 45 45  0     0  0  0  0  0  0999 V2000
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    8.0622    5.0950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    5.4641   -0.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    2.0950    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
    7.1962    2.5950    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
    3.7320   -3.4050    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
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    4.5981   -3.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  7 25  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 11  1  0  0  0  0
  9 28  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 15  1  0  0  0  0
 11 32  1  0  0  0  0
 11 33  1  0  0  0  0
 13 14  1  0  0  0  0
 13 17  2  0  0  0  0
 14 16  2  0  0  0  0
 14 18  1  0  0  0  0
 16 19  1  0  0  0  0
 16 21  1  0  0  0  0
 17 20  1  0  0  0  0
 17 35  1  0  0  0  0
 18 36  1  0  0  0  0
 18 37  1  0  0  0  0
 18 38  1  0  0  0  0
 19 20  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
 21 42  1  0  0  0  0
 21 43  1  0  0  0  0
M  END

$$$$
D01AMV
  -OEChem-10101305032D

 29 31  0     0  0  0  0  0  0999 V2000
    9.8602    0.4585    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.5173    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.9827    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    2.4827    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.0173    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    7.1962    1.9827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.0173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0901    0.4480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.5981    0.1027    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
  2  7  1  0  0  0  0
  2  9  1  0  0  0  0
  2 21  1  0  0  0  0
  3  7  2  0  0  0  0
  3 17  1  0  0  0  0
  4  8  1  0  0  0  0
  4 17  2  0  0  0  0
  5 20  3  0  0  0  0
  6  7  1  0  0  0  0
  6  8  2  0  0  0  0
  6 10  1  0  0  0  0
  8 11  1  0  0  0  0
  9 14  1  0  0  0  0
  9 15  2  0  0  0  0
 10 12  2  0  0  0  0
 10 22  1  0  0  0  0
 11 13  2  0  0  0  0
 11 23  1  0  0  0  0
 12 13  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
 15 18  1  0  0  0  0
 15 26  1  0  0  0  0
 16 19  1  0  0  0  0
 16 20  1  0  0  0  0
 17 27  1  0  0  0  0
 18 19  2  0  0  0  0
 18 28  1  0  0  0  0
 19 29  1  0  0  0  0
M  END

$$$$
D01AOI
  -OEChem-10101305022D

 38 40  0     0  0  0  0  0  0999 V2000
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    2.5369   -1.5137    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.1273    2.0137    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -0.5137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -1.5137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -0.0137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -2.0137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -0.5137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -0.0137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -0.0137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331   -0.5137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991   -0.0137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    0.9863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.3991    1.0071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.2632    1.5104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9349   -0.3466    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  7  1  0  0  0  0
  2  8  1  0  0  0  0
  2 32  1  0  0  0  0
  3 20  3  0  0  0  0
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  4  6  1  0  0  0  0
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  5  7  1  0  0  0  0
  5 22  1  0  0  0  0
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  6 24  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
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 10 11  2  0  0  0  0
 10 13  1  0  0  0  0
 11 12  1  0  0  0  0
 11 33  1  0  0  0  0
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 13 34  1  0  0  0  0
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 15 35  1  0  0  0  0
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 17 37  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 19 38  1  0  0  0  0
M  END

$$$$
D01APA
  -OEChem-10191521532D

 89 93  0     1  0  0  0  0  0999 V2000
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 46 89  1  0  0  0  0
M  END

$$$$
D01APL
  -OEChem-10191522222D

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 18 35  1  0  0  0  0
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M  END

$$$$
D01APZ
  -OEChem-10101305022D

185190  0     1  0  0  0  0  0999 V2000
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M  END

$$$$
D01AQC
  -OEChem-10101305032D

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M  END

$$$$
D01ARE
  -OEChem-10101305022D

 23 24  0     0  0  0  0  0  0999 V2000
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 13 23  1  0  0  0  0
M  END

$$$$
D01ARY
  -OEChem-10101305022D

334338  0     1  0  0  0  0  0999 V2000
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 98105  1  0  0  0  0
 98222  1  0  0  0  0
 98223  1  0  0  0  0
 99101  1  0  0  0  0
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168318  1  0  0  0  0
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174330  1  0  0  0  0
176332  1  0  0  0  0
176333  1  0  0  0  0
M  END

$$$$
D01AUI
  -OEChem-10101305032D

 57 57  0     0  0  0  0  0  0999 V2000
    1.4030    2.6200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0721    8.7686    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5362   10.7686    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9381   10.2686    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8041   10.7686    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1934    3.9939    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9473    0.8153    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2364    3.5815    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.5471    4.5320    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.8363    5.6887    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.8183    3.6620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.4861    2.9177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.7174    2.3425    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   12.3368    3.7306    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1 22  1  0  0  0  0
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 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
 15 41  1  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 23  2  0  0  0  0
 18 21  1  0  0  0  0
 19 22  2  0  0  0  0
 19 42  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 24  1  0  0  0  0
 23 45  1  0  0  0  0
 24 46  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  2  0  0  0  0
 27 29  1  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
M  END

$$$$
D01AUS
  -OEChem-10101305022D

 41 43  0     0  0  0  0  0  0999 V2000
    6.3301    2.0600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.5600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -4.4400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -4.4400    0.0000 O   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
    2.8660   -0.9400    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
    2.8660    0.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    3.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    3.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.0600    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
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    4.5981    2.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8660   -3.9400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  7  1  0  0  0  0
  1  9  1  0  0  0  0
  2  8  2  0  0  0  0
  3 25  1  0  0  0  0
  3 41  1  0  0  0  0
  4 25  2  0  0  0  0
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  5 11  2  0  0  0  0
  5 12  1  0  0  0  0
  6  8  1  0  0  0  0
  6 15  2  0  0  0  0
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  7 13  2  0  0  0  0
  7 14  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 20  2  0  0  0  0
 10 21  1  0  0  0  0
 11 13  1  0  0  0  0
 11 28  1  0  0  0  0
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 13 30  1  0  0  0  0
 14 31  1  0  0  0  0
 15 18  1  0  0  0  0
 15 32  1  0  0  0  0
 16 19  2  0  0  0  0
 16 33  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 17 25  1  0  0  0  0
 18 34  1  0  0  0  0
 19 35  1  0  0  0  0
 20 22  1  0  0  0  0
 20 36  1  0  0  0  0
 21 23  2  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 24  1  0  0  0  0
 23 39  1  0  0  0  0
 24 40  1  0  0  0  0
M  END

$$$$
D01AUX
  -OEChem-10101305022D

 45 47  0     0  0  0  0  0  0999 V2000
    6.8671   -2.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -4.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -2.5000    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
    6.8671   -0.5000    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
    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
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M  END

$$$$
D01AVF
          09081001192D 1   1.00000     0.00000     0

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M  END

$$$$
D01AVM
  -OEChem-04152110242D

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   13.4586   -0.6906    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  2  0  0  0  0
  2 22  1  0  0  0  0
  2 25  1  0  0  0  0
  3 22  2  0  0  0  0
  4 24  1  0  0  0  0
  4 49  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5  9  1  0  0  0  0
  5 27  1  6  0  0  0
  6 10  1  0  0  0  0
  6 13  1  0  0  0  0
  6 15  1  1  0  0  0
  7  8  1  0  0  0  0
  7 14  1  0  0  0  0
  7 28  1  1  0  0  0
  8 11  1  0  0  0  0
  8 16  1  0  0  0  0
  8 29  1  6  0  0  0
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  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 13  1  0  0  0  0
 12 19  1  0  0  0  0
 12 36  1  0  0  0  0
 14 17  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
 15 41  1  0  0  0  0
 16 18  2  0  0  0  0
 16 20  1  0  0  0  0
 17 18  1  0  0  0  0
 17 42  1  0  0  0  0
 17 43  1  0  0  0  0
 18 21  1  0  0  0  0
 19 22  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 24  2  0  0  0  0
 21 47  1  0  0  0  0
 23 24  1  0  0  0  0
 23 48  1  0  0  0  0
 25 26  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
M  END

$$$$
D01AVS
  -OEChem-10101305022D

 43 43  0     1  0  0  0  0  0999 V2000
    2.8660   -0.4050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.4050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    4.0950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    5.0950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.4050    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    4.0950    0.0000 N   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
    4.5981   -0.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.9050    0.0000 C   0  0  3  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
    6.3301    2.5950    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
    6.3301    3.5950    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
    2.8660   -3.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -4.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -4.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -5.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3860    1.1776    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9875    0.4873    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8101   -0.9876    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2087   -0.2973    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6762    0.5124    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0747    1.2027    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.2850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2520    2.6776    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.3291   -2.0950    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4860    0.5950    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
    2.2460    0.5950    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    3.7850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -3.5950    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -3.5950    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -5.2150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -5.2150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -6.0250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    5.4050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
  1 15  1  0  0  0  0
  2 13  2  0  0  0  0
  3 14  2  0  0  0  0
  4  6  1  0  0  0  0
  4 43  1  0  0  0  0
  5 13  1  0  0  0  0
  5 16  1  0  0  0  0
  5 33  1  0  0  0  0
  6 14  1  0  0  0  0
  6 37  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 22  1  0  0  0  0
  7 23  1  0  0  0  0
  8 10  1  0  0  0  0
  8 24  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 13  1  0  0  0  0
 10 28  1  0  0  0  0
 11 12  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
 15 34  1  0  0  0  0
 15 35  1  0  0  0  0
 15 36  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 38  1  0  0  0  0
 18 20  2  0  0  0  0
 18 39  1  0  0  0  0
 19 21  2  0  0  0  0
 19 40  1  0  0  0  0
 20 21  1  0  0  0  0
 20 41  1  0  0  0  0
 21 42  1  0  0  0  0
M  END

$$$$
D01AWD
  -OEChem-10101305022D

 29 29  0     1  0  0  0  0  0999 V2000
    6.8671    1.8450    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.3450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -1.6550    0.0000 O   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   -1.6550    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
    6.0010    1.3450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    2.3450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3671    2.7110    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3671    0.9790    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -1.1550    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.2690   -1.6550    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.1350   -0.1550    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.4030   -1.1550    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.4030   -0.1550    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0010    0.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -1.7750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8059   -1.9650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    0.4650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -1.7750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    0.4650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2131   -0.2376    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6116    0.4527    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5380   -1.3450    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.9650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.3450    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    0.9650    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
    5.7471    2.7110    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
  1  9  1  0  0  0  0
  1 10  2  0  0  0  0
  2 13  1  0  0  0  0
  2 15  1  0  0  0  0
 11  3  1  1  0  0  0
  3 24  1  0  0  0  0
 12  4  1  6  0  0  0
  4 25  1  0  0  0  0
 14  5  1  1  0  0  0
  5 26  1  0  0  0  0
 15  6  1  1  0  0  0
  6 27  1  0  0  0  0
  7 16  1  0  0  0  0
  8 28  1  0  0  0  0
  9 29  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
 12 14  1  0  0  0  0
 12 18  1  0  0  0  0
 13 16  1  6  0  0  0
 13 19  1  0  0  0  0
 14 15  1  0  0  0  0
 14 20  1  0  0  0  0
 15 21  1  0  0  0  0
 16 22  1  0  0  0  0
 16 23  1  0  0  0  0
M  END

$$$$
D01AWE
  -OEChem-10191521362D

 89 91  0     1  0  0  0  0  0999 V2000
    3.6482    7.4864    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   16.8724   -1.6939    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   13.6221   -0.8515    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
   12.3369    0.3096    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
   14.6254   -3.7723    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.9752   -2.6886    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.9714   -4.8642    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.9295   -1.8031    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.7696   -0.6992    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.8671   -1.5911    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3147    0.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3591    0.5193    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.8777   -1.7967    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4258    1.1481    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6705   -1.1589    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5737   -0.5442    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.5465    1.2874    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4593    3.5836    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1273   -0.6681    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8889    5.9060    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    6.9540    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.9012   -5.5329    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.9012   -7.1423    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.0889   -5.3376    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.2229   -6.8376    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.0889   -8.3376    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    5.2407    5.3736    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.1651   -3.2750    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   16.1634   -4.2750    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   15.2146   -2.9643    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   15.2118   -4.5824    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   14.9072   -2.0127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9549   -5.8376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4848   -6.3376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9549   -6.8376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0740    1.6804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0962    1.8900    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   11.0518    1.4708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2836    2.6582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8644    0.7027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0889   -7.3376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7888    2.8416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2229   -5.8376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5037    4.0028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5259    4.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2185    5.1640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9334    6.3252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9556    6.5348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6704    7.6960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3630    8.6476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7171   -3.5574    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.7163   -3.9945    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.6024   -2.8663    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.5993   -4.6783    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.5214   -1.9275    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.9300   -1.3932    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.5382   -4.6130    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.1048   -6.3376    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4900    2.0200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.6659    1.5561    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0745    2.0904    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8898    2.5283    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4135    3.2645    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6774    2.7882    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   10.4706    0.5727    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.2718   -0.3356    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.2306   -2.0933    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.6859   -5.5276    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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 51 89  1  0  0  0  0
M  END

$$$$
D01AXA
  -OEChem-10101305022D

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 42 45  1  0  0  0  0
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 45 78  1  0  0  0  0
 45 79  1  0  0  0  0
M  END

$$$$
D01AZJ
  -OEChem-10191521202D

 44 47  0     0  0  0  0  0  0999 V2000
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M  ISO  1   1  18
M  END

$$$$
D01BAG
  -OEChem-10191521362D

 49 51  0     1  0  0  0  0  0999 V2000
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 30 47  1  0  0  0  0
M  END

$$$$
D01BAK
  -OEChem-10101305032D

 74 78  0     0  0  0  0  0  0999 V2000
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 28 32  1  0  0  0  0
 28 33  1  0  0  0  0
 29 34  1  0  0  0  0
 29 37  1  0  0  0  0
 30 34  1  0  0  0  0
 30 38  1  0  0  0  0
 31 69  1  0  0  0  0
 32 70  1  0  0  0  0
 35 37  2  0  0  0  0
 35 71  1  0  0  0  0
 36 38  2  0  0  0  0
 36 72  1  0  0  0  0
 37 73  1  0  0  0  0
 38 74  1  0  0  0  0
M  END

$$$$
D01BCI
  -OEChem-10121500262D

 13 12  0     1  0  0  0  0  0999 V2000
    5.1350   -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
    2.5369    0.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -0.2500    0.0000 C   0  0  2  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    0.3700    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
    2.0000   -0.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    0.8700    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
  1  6  1  0  0  0  0
  1 13  1  0  0  0  0
  2  6  2  0  0  0  0
  4  3  1  1  0  0  0
  3 11  1  0  0  0  0
  3 12  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4  7  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
M  END

$$$$
D01BCK
  -OEChem-10101305022D

 23 24  0     0  0  0  0  0  0999 V2000
    4.2690   -1.1123    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -2.1123    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -1.1123    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.8877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    1.8877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    0.3877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1629    0.3530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    2.3877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    0.8877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1629    2.4223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    1.8877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0690    0.8669    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0690    1.9085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -0.6123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1558   -0.2670    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    3.0077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.5777    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1558    3.0423    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.1977    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6047    0.5548    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6047    2.2205    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.8023    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.4223    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 14  2  0  0  0  0
  2  3  1  0  0  0  0
  2 23  1  0  0  0  0
  3 14  1  0  0  0  0
  3 22  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4  7  2  0  0  0  0
  5  8  1  0  0  0  0
  5 10  2  0  0  0  0
  6  9  2  0  0  0  0
  6 14  1  0  0  0  0
  7 12  1  0  0  0  0
  7 15  1  0  0  0  0
  8 11  2  0  0  0  0
  8 16  1  0  0  0  0
  9 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 19  1  0  0  0  0
 12 13  2  0  0  0  0
 12 20  1  0  0  0  0
 13 21  1  0  0  0  0
M  END

$$$$
D01BCL
  -OEChem-10101305022D

 27 28  0     1  0  0  0  0  0999 V2000
    2.6200    0.7904    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3540   -0.7185    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9464   -1.0605    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1200   -0.0757    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.1200    0.9243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9860   -0.5757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9860    1.4243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8520   -0.0757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8520    0.9243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1200   -0.0757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7460   -0.6103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7460    1.4590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6521   -0.0965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6521    0.9451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9080    1.5069    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5094    0.8167    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5875   -1.0506    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3846   -1.0506    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3846    1.8993    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5875    1.8993    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4214   -1.4590    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3637   -1.2725    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7388   -1.2303    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7388    2.0790    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1878   -0.4086    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1878    1.2572    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.7904    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
  1 27  1  0  0  0  0
  2 10  2  0  0  0  0
  3  4  1  0  0  0  0
  3 21  1  0  0  0  0
  3 22  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4 10  1  0  0  0  0
  5  7  1  0  0  0  0
  5 15  1  0  0  0  0
  5 16  1  0  0  0  0
  6  8  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 19  1  0  0  0  0
  7 20  1  0  0  0  0
  8  9  1  0  0  0  0
  8 11  2  0  0  0  0
  9 12  2  0  0  0  0
 11 13  1  0  0  0  0
 11 23  1  0  0  0  0
 12 14  1  0  0  0  0
 12 24  1  0  0  0  0
 13 14  2  0  0  0  0
 13 25  1  0  0  0  0
 14 26  1  0  0  0  0
M  END

$$$$
D01BDJ
  -OEChem-10191522052D

 33 35  0     0  0  0  0  0  0999 V2000
    5.9344    0.7306    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9344    0.7306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6254    1.6816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4344    2.2694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2434    1.6816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9344   -0.2694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9563    0.9386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0684   -0.7694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6473    1.8896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8005   -0.7694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2872    0.1953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0684   -1.7694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6691    2.0975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8005   -1.7694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3090    0.4033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9344   -2.2694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.3544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3154    2.2186    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0590    1.4295    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8493    2.7302    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0196    2.7302    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8098    1.4295    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5534    2.2186    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0621    2.3503    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5315   -0.4594    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4788   -0.3943    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3374   -0.4594    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5315   -2.0794    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4775    2.6871    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3374   -2.0794    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8941   -0.0575    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9344   -2.8894    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3936    1.4833    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
  2  3  1  0  0  0  0
  2  6  1  0  0  0  0
  2  7  1  0  0  0  0
  3  4  1  0  0  0  0
  3 18  1  0  0  0  0
  3 19  1  0  0  0  0
  4  5  1  0  0  0  0
  4 20  1  0  0  0  0
  4 21  1  0  0  0  0
  5 22  1  0  0  0  0
  5 23  1  0  0  0  0
  6  8  2  0  0  0  0
  6 10  1  0  0  0  0
  7  9  2  0  0  0  0
  7 11  1  0  0  0  0
  8 12  1  0  0  0  0
  8 25  1  0  0  0  0
  9 13  1  0  0  0  0
  9 24  1  0  0  0  0
 10 14  2  0  0  0  0
 10 27  1  0  0  0  0
 11 15  2  0  0  0  0
 11 26  1  0  0  0  0
 12 16  2  0  0  0  0
 12 28  1  0  0  0  0
 13 17  2  0  0  0  0
 13 29  1  0  0  0  0
 14 16  1  0  0  0  0
 14 30  1  0  0  0  0
 15 17  1  0  0  0  0
 15 31  1  0  0  0  0
 16 32  1  0  0  0  0
 17 33  1  0  0  0  0
M  END

$$$$
D01BGK
  -OEChem-10101305022D

 42 43  0     0  0  0  0  0  0999 V2000
    4.5981    3.3988    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4347    4.3933    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9073    3.6307    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2437    2.9920    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.1012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.3988    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
    4.5981    1.3988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.6012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.8988    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
    5.4641    2.8988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.1012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.1012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    3.3988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -4.1012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -4.1012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -4.6012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9128    3.7352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4128    4.6012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4951    4.4397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5200    0.4814    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8101   -0.1838    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    1.4631   -2.7912    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1 12  2  0  0  0  0
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  2 20  1  0  0  0  0
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  5 23  1  0  0  0  0
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  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 13  2  0  0  0  0
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 13 34  1  0  0  0  0
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 14 35  1  0  0  0  0
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 16 36  1  0  0  0  0
 17 18  1  0  0  0  0
 17 37  1  0  0  0  0
 18 38  1  0  0  0  0
 19 20  2  0  0  0  0
 20 39  1  0  0  0  0
 21 40  1  0  0  0  0
 21 41  1  0  0  0  0
 21 42  1  0  0  0  0
M  END

$$$$
D01BGW
  -OEChem-10101305022D

 30 31  0     1  0  0  0  0  0999 V2000
    2.8660   -0.1867    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0000   -0.6867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1 13  1  0  0  0  0
  1 15  1  0  0  0  0
  2  3  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
  6  4  1  1  0  0  0
  4 25  1  0  0  0  0
  4 26  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  1  0  0  0  0
  6 18  1  0  0  0  0
  7  8  2  0  0  0  0
  7 10  1  0  0  0  0
  8 11  1  0  0  0  0
  8 12  1  0  0  0  0
  9 19  1  0  0  0  0
  9 20  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 23  1  0  0  0  0
 12 14  2  0  0  0  0
 12 24  1  0  0  0  0
 13 14  1  0  0  0  0
 14 27  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
M  END

$$$$
D01BGY
  -OEChem-10191521482D

 72 75  0     1  0  0  0  0  0999 V2000
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 13 48  1  0  0  0  0
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 17 22  2  0  0  0  0
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 23 30  2  0  0  0  0
 23 55  1  0  0  0  0
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 25 29  2  0  0  0  0
 25 57  1  0  0  0  0
 26 34  2  0  0  0  0
 26 60  1  0  0  0  0
 27 32  2  0  0  0  0
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 28 33  2  0  0  0  0
 28 59  1  0  0  0  0
 29 34  1  0  0  0  0
 29 63  1  0  0  0  0
 30 32  1  0  0  0  0
 30 61  1  0  0  0  0
 31 33  1  0  0  0  0
 31 62  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
 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

$$$$
D01BHC
  MDL     03130710472D 1   1.00000     0.00000     0

 68 69  0     1  0            999 V2000
   -1.6955   -4.1405    0.0000 C   0  0  1  0  0  0           0  0  0
   -0.9915   -3.7069    0.0000 C   0  0  1  0  0  0           0  0  0
   -2.4187   -3.7440    0.0000 C   0  0  2  0  0  0           0  0  0
   -1.6659   -4.9665    0.0000 N   0  0  0  0  0  0           0  0  0
   -0.9954   -2.8675    0.0000 O   0  0  0  0  0  0           0  0  0
   -0.2728   -4.1126    0.0000 C   0  0  1  0  0  0           0  0  0
   -2.4479   -2.9187    0.0000 C   0  0  0  0  0  0           0  0  0
   -3.1274   -4.1805    0.0000 N   0  0  0  0  0  0           0  0  0
   -2.3746   -5.4029    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.7245   -2.4732    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.2814   -4.9566    0.0000 C   0  0  1  0  0  0           0  0  0
    0.4224   -3.6717    0.0000 O   0  0  0  0  0  0           0  0  0
   -3.8477   -3.7952    0.0000 C   0  0  0  0  0  0           0  0  0
   -2.3401   -6.1766    0.0000 C   0  0  0  0  0  0           0  0  0
   -3.1686   -5.0897    0.0000 O   0  0  0  0  0  0           0  0  0
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M  END

$$$$
D01BIZ
  -OEChem-10101305022D

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 58119  1  0  0  0  0
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 60 62  1  0  0  0  0
 60122  1  0  0  0  0
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 65 67  2  0  0  0  0
 65132  1  0  0  0  0
 66 67  1  0  0  0  0
 66133  1  0  0  0  0
 67134  1  0  0  0  0
M  END

$$$$
D01BJB
  -OEChem-10191522362D

 56 59  0     1  0  0  0  0  0999 V2000
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 17 22  1  0  0  0  0
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 20 23  1  0  0  0  0
 20 48  1  0  0  0  0
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 21 25  1  0  0  0  0
 22 23  1  0  0  0  0
 22 50  1  0  0  0  0
 22 51  1  0  0  0  0
 23 52  1  0  0  0  0
 25 53  1  0  0  0  0
 25 54  1  0  0  0  0
 25 55  1  0  0  0  0
M  END

$$$$
D01BJZ
  -OEChem-10101305032D

 47 49  0     1  0  0  0  0  0999 V2000
    2.8660   -1.7673    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   10.6603   -0.2673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 17 41  1  0  0  0  0
 18 20  2  0  0  0  0
 18 42  1  0  0  0  0
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 20 21  1  0  0  0  0
 20 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
M  END

$$$$
D01BKS
  -OEChem-10191522102D

127132  0     1  0  0  0  0  0999 V2000
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   13.1365    1.4138    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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   14.0827    1.7186    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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M  END

$$$$
D01BMA
  -OEChem-04152122252D

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 35 36  1  0  0  0  0
 35 85  1  0  0  0  0
 36 86  1  0  0  0  0
M  END

$$$$
D01BOE
          08191000072D 1   1.00000     0.00000     0

 24 23  0     0  0            999 V2000
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 12 11  2  0     0  0
 15 14  1  0     0  0
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 17 16  1  0     0  0
 13 14  1  0     0  0
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 21 20  1  0     0  0
 18 19  1  0     0  0
  4 18  1  0     0  0
  3 22  1  0     0  0
 24 23  1  0     0  0
M  END

$$$$
D01BPI
  -OEChem-10101305022D

 57 60  0     1  0  0  0  0  0999 V2000
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 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

$$$$
D01BPR
  -OEChem-10101305022D

 32 32  0     0  0  0  0  0  0999 V2000
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  1 32  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  8  1  0  0  0  0
  3  5  1  0  0  0  0
  3 15  1  0  0  0  0
  3 16  1  0  0  0  0
  4  6  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 19  1  0  0  0  0
  5 20  1  0  0  0  0
  6  7  1  0  0  0  0
  6 21  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  9  1  0  0  0  0
  8 25  1  0  0  0  0
  8 26  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 10 12  1  0  0  0  0
 10 27  1  0  0  0  0
 11 13  2  0  0  0  0
 11 28  1  0  0  0  0
 12 14  2  0  0  0  0
 12 29  1  0  0  0  0
 13 14  1  0  0  0  0
 13 30  1  0  0  0  0
 14 31  1  0  0  0  0
M  END

$$$$
D01BQD
  -OEChem-10101305032D

 41 44  0     0  0  0  0  0  0999 V2000
    9.6648   -2.1090    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0812    2.1598    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0812    0.5503    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    2.3551    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.6648    1.3551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6648    1.3551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    1.8551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    0.8551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1648    0.4890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    2.3551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.3551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6648   -0.3770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1648    0.4890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    1.8551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.1648   -1.2430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.6648   -2.1090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1648   -2.9751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.6648   -2.1090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.2848   -0.3770    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.0451    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   12.4748   -3.5120    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.4748   -0.7061    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.2848   -2.1090    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  6  1  0  0  0  0
  2  7  1  0  0  0  0
  2 27  1  0  0  0  0
  3  6  2  0  0  0  0
  3  8  1  0  0  0  0
  4 14  1  0  0  0  0
  4 35  1  0  0  0  0
  4 36  1  0  0  0  0
  5  6  1  0  0  0  0
  5  9  1  0  0  0  0
  5 25  1  0  0  0  0
  5 26  1  0  0  0  0
  7  8  2  0  0  0  0
  7 10  1  0  0  0  0
  8 11  1  0  0  0  0
  9 12  2  0  0  0  0
  9 13  1  0  0  0  0
 10 14  2  0  0  0  0
 10 28  1  0  0  0  0
 11 15  2  0  0  0  0
 11 29  1  0  0  0  0
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 12 30  1  0  0  0  0
 13 18  2  0  0  0  0
 13 31  1  0  0  0  0
 14 15  1  0  0  0  0
 15 32  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 17 33  1  0  0  0  0
 18 34  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
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 20 37  1  0  0  0  0
 21 23  2  0  0  0  0
 21 38  1  0  0  0  0
 22 24  2  0  0  0  0
 22 39  1  0  0  0  0
 23 24  1  0  0  0  0
 23 40  1  0  0  0  0
 24 41  1  0  0  0  0
M  END

$$$$
D01BQI
  -OEChem-10101305022D

 36 38  0     0  0  0  0  0  0999 V2000
    7.1279   -0.6815    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8550   -2.4367    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1477   -0.0024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5443    0.1233    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.1815    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8550    1.0738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.1815    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1279   -0.6815    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5443   -1.4862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8335    1.2800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.3185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.6815    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8660   -0.1815    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5013    0.5357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1441    2.2305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.6815    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4798    0.7419    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.1262    0.2038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8344    1.6934    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   10.2540   -0.4028    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7328    0.3317    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1  8  2  0  0  0  0
  2  9  2  0  0  0  0
  3 18  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  1  0  0  0  0
  5  7  2  0  0  0  0
  5 11  1  0  0  0  0
  6 10  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 12  1  0  0  0  0
  8  9  1  0  0  0  0
 10 15  2  0  0  0  0
 10 16  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 25  1  0  0  0  0
 13 14  1  0  0  0  0
 13 17  1  0  0  0  0
 14 26  1  0  0  0  0
 15 18  1  0  0  0  0
 15 27  1  0  0  0  0
 16 19  2  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
 18 20  2  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
 21 34  1  0  0  0  0
 21 35  1  0  0  0  0
 21 36  1  0  0  0  0
M  END

$$$$
D01BTF
  -OEChem-10191522232D

283287  0     1  0  0  0  0  0999 V2000
   13.1972   -1.3450    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   14.0632   -0.8450    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   17.8746    2.1246    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   11.4651    1.6550    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   13.6972   -4.4790    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4651   -4.3450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7953   -6.8450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4651   -1.3450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.5273   -2.8450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8671   -3.8450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.1254   -5.3450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   22.7235   -2.8450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   18.3933    1.6550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -2.3450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   12.3312   -8.8450    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   17.5273   -0.8450    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   19.2594    0.1550    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.0632    2.1550    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   22.7235   -6.8450    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   20.9914   -0.8450    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.1972    4.6550    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.6613    4.6550    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   23.5895   -8.3450    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   24.4555   -6.8450    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.9292    6.6550    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   17.5273    6.1550    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   18.3933    4.6550    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.6613    7.6550    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.4651   -5.3450    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   10.7281   -6.0121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1332   -6.9199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1220   -6.8168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1972   -5.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0632   -5.8450    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   11.4651   -4.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0632   -6.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1972   -7.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3312   -2.8450    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   15.7953   -5.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1972   -8.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6613   -5.3450    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   13.1972   -2.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4651   -2.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5273   -5.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7331   -2.3450    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
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143279  1  0  0  0  0
143280  1  0  0  0  0
M  END

$$$$
D01BTV
  -OEChem-10191521392D

 11 10  0     0  0  0  0  0  0999 V2000
    5.1350   -0.0600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    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
    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
    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  4  1  0  0  0  0
  1  5  1  0  0  0  0
  2  6  1  0  0  0  0
  2 11  1  0  0  0  0
  3  6  2  0  0  0  0
  4  9  1  0  0  0  0
  4 10  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

$$$$
D01BUB
  -OEChem-10101305032D

 13 13  0     0  0  0  0  0  0999 V2000
    2.0000    0.3450    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.6550    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.3450    0.0000 O   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
    4.5981   -0.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.1550    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
    5.1350    0.1550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -1.4650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.2750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    1.6550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  2  7  1  0  0  0  0
  3  4  1  0  0  0  0
  3 13  1  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  7  2  0  0  0  0
  6 10  1  0  0  0  0
  7  9  1  0  0  0  0
  8  9  2  0  0  0  0
  8 11  1  0  0  0  0
  9 12  1  0  0  0  0
M  END

$$$$
D01BUT
  -OEChem-04152111212D

194199  0     1  0  0  0  0  0999 V2000
    6.5000  -11.0318    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    9.5000    6.2886    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3006    7.3906    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5000    2.8245    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.2862    9.4121    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    3.6906    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0000    0.2265    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5000   -2.3716    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000   -2.3716    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0000   -4.9697    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5000   -7.5677    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5000   -6.8357    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6340   -4.3357    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0000    5.4226    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.5000    4.5566    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.9479    7.9258    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.5000    2.8245    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.5000    2.8245    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.9990   10.5711    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    5.0000   -1.5056    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.0000    1.9585    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.5000    1.0925    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5000   -4.1037    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000    4.5566    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.5000   -5.8357    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.5000    1.0925    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.5000   -5.8357    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.3660   -4.3357    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.0000    1.9585    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.0000    0.2265    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.5878    6.2316    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.5388    5.9226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5388    4.9226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5878    4.6136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0000    5.4226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5000    4.5566    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   11.2788    7.1827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0000    3.6906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0000    3.6906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0000    3.6906    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   11.6389    8.8769    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.0000    3.6906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5000    4.5566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5000    2.8245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5000    5.5566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 73164  1  0  0  0  0
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 88178  1  0  0  0  0
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 89179  1  0  0  0  0
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 93181  1  0  0  0  0
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 94182  1  0  0  0  0
 95 96  1  0  0  0  0
 95183  1  0  0  0  0
 97100  1  0  0  0  0
 97188  1  0  0  0  0
 98101  1  0  0  0  0
 98189  1  0  0  0  0
 99190  1  0  0  0  0
 99191  1  0  0  0  0
 99192  1  0  0  0  0
100101  2  0  0  0  0
100193  1  0  0  0  0
101194  1  0  0  0  0
M  END

$$$$
D01BVR
  -OEChem-10101305022D

 33 34  0     0  0  0  0  0  0999 V2000
    2.0570    1.2239    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.9538    2.9839    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8660   -0.3639    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.8639    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.8639    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.8639    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.8639    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.6361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6750    1.2239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6261    0.9148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.3692    1.5840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3203    1.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.5119    1.8646    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  1 10  1  0  0  0  0
  2 13  2  0  0  0  0
  3  8  1  0  0  0  0
  3  9  1  0  0  0  0
  3 25  1  0  0  0  0
  4 13  1  0  0  0  0
  4 30  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 10  1  0  0  0  0
  5 16  1  0  0  0  0
  6  8  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 19  1  0  0  0  0
  7 20  1  0  0  0  0
  8 21  1  0  0  0  0
  8 22  1  0  0  0  0
  9 23  1  0  0  0  0
  9 24  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 12 14  1  0  0  0  0
 12 26  1  0  0  0  0
 12 27  1  0  0  0  0
 14 15  1  0  0  0  0
 14 28  1  0  0  0  0
 14 29  1  0  0  0  0
 15 31  1  0  0  0  0
 15 32  1  0  0  0  0
 15 33  1  0  0  0  0
M  END

$$$$
D01BWJ
          04250901032D 1   1.00000     0.00000     0

 23 24  0     1  0            999 V2000
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    0.5849   -2.1815    0.0000 C   0  0  0  0  0  0           0  0  0
    1.2706   -2.5735    0.0000 C   0  0  0  0  0  0           0  0  0
    1.9537   -2.1811    0.0000 C   0  0  0  0  0  0           0  0  0
    1.9508   -1.3880    0.0000 C   0  0  0  0  0  0           0  0  0
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   -0.1077   -0.9876    0.0000 C   0  0  1  0  0  0           0  0  0
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   -1.4750   -0.9876    0.0000 C   0  0  0  0  0  0           0  0  0
   -2.1584   -1.3834    0.0000 C   0  0  0  0  0  0           0  0  0
   -2.8416   -0.9917    0.0000 C   0  0  0  0  0  0           0  0  0
   -3.5292   -1.3875    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.1083   -0.1959    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.4708   -0.1959    0.0000 O   0  0  0  0  0  0           0  0  0
   -2.1542   -2.1792    0.0000 C   0  0  0  0  0  0           0  0  0
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   -4.2088   -0.9905    0.0000 N   0  0  0  0  0  0           0  0  0
   -4.9000   -1.3856    0.0000 C   0  0  0  0  0  0           0  0  0
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   -5.5917   -0.9833    0.0000 Br  0  0  0  0  0  0           0  0  0
    0.5750    0.2000    0.0000 C   0  0  0  0  0  0           0  0  0
 10 11  2  0     0  0
  5  6  2  0     0  0
 11 12  1  0     0  0
  6  1  1  0     0  0
  7 13  1  1     0  0
  1  2  2  0     0  0
  9 14  2  0     0  0
 10 15  1  0     0  0
  1  7  1  0     0  0
  3  4  2  0     0  0
 15 16  3  0     0  0
  7  8  1  0     0  0
 12 17  2  0     0  0
 17 18  1  0     0  0
  8  9  1  0     0  0
 18 19  2  0     0  0
  4  5  1  0     0  0
 19 20  1  0     0  0
  9 10  1  0     0  0
 20 21  2  0     0  0
 21 12  1  0     0  0
  2  3  1  0     0  0
 18 22  1  0     0  0
 13 23  1  0     0  0
M  END

$$$$
D01BWV
  -OEChem-10191521432D

 66 70  0     1  0  0  0  0  0999 V2000
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    5.1780    1.9678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.3352   -3.3916    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1 38  1  0  0  0  0
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 10 11  1  0  0  0  0
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 13 43  1  0  0  0  0
 14 18  1  0  0  0  0
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 17 23  1  0  0  0  0
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 18 22  1  0  0  0  0
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 29 31  2  0  0  0  0
 29 63  1  0  0  0  0
 30 32  2  0  0  0  0
 30 64  1  0  0  0  0
 31 32  1  0  0  0  0
 31 65  1  0  0  0  0
 32 66  1  0  0  0  0
M  END

$$$$
D01BXE
  -OEChem-10191521482D

 39 42  0     0  0  0  0  0  0999 V2000
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 26 39  1  0  0  0  0
M  END

$$$$
D01BZE
  -OEChem-10101305032D

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M  END

$$$$
D01BZH
  -OEChem-04152109512D

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 31 56  1  0  0  0  0
 31 57  1  0  0  0  0
M  END

$$$$
D01CAC
  -OEChem-10101305032D

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M  END

$$$$
D01CAY
  -OEChem-10101305022D

 45 47  0     0  0  0  0  0  0999 V2000
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M  END

$$$$
D01CBU
  -OEChem-04152110472D

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M  END

$$$$
D01CCG
  -OEChem-10191522462D

 36 37  0     0  0  0  0  0  0999 V2000
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M  END

$$$$
D01CDL
  -OEChem-10101305032D

 57 59  0     1  0  0  0  0  0999 V2000
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M  END

$$$$
D01CFO
  -OEChem-10101305022D

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M  END

$$$$
D01CGC
  -OEChem-10101305022D

 64 63  0     0  0  0  0  0  0999 V2000
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M  END

$$$$
D01CGM
  -OEChem-04152109102D

 51 54  0     0  0  0  0  0  0999 V2000
    6.3981    1.9400    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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 28 29  2  0  0  0  0
 28 50  1  0  0  0  0
 29 51  1  0  0  0  0
M  END

$$$$
D01CGR
  -OEChem-10101305022D

 35 37  0     0  0  0  0  0  0999 V2000
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    4.5307    2.1850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9212    2.0186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8819   -1.2924    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2988   -0.7364    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2988   -1.8484    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2249   -0.1164    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.3276    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    1.4631   -0.4824    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -2.1024    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0155    0.5680    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1  4  1  0  0  0  0
  1  8  1  0  0  0  0
  1 22  1  0  0  0  0
  2  9  1  0  0  0  0
  2 16  1  0  0  0  0
  2 17  1  0  0  0  0
  3 17  2  0  0  0  0
  3 18  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5  9  1  0  0  0  0
  6 10  1  0  0  0  0
  6 11  1  0  0  0  0
  6 19  1  0  0  0  0
  7  8  1  0  0  0  0
  7 12  2  0  0  0  0
  8 13  2  0  0  0  0
  9 20  1  0  0  0  0
  9 21  1  0  0  0  0
 10 25  1  0  0  0  0
 10 26  1  0  0  0  0
 10 27  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 14  1  0  0  0  0
 12 29  1  0  0  0  0
 13 15  1  0  0  0  0
 13 30  1  0  0  0  0
 14 15  2  0  0  0  0
 14 31  1  0  0  0  0
 15 32  1  0  0  0  0
 16 18  2  0  0  0  0
 16 33  1  0  0  0  0
 17 34  1  0  0  0  0
 18 35  1  0  0  0  0
M  END

$$$$
D01CIN
          09230900072D 1   1.00000     0.00000     0

 19 21  0     0  0            999 V2000
    1.5916   -2.3458    0.0000 S   0  0  0  0  0  0           0  0  0
    1.0141   -2.7617    0.0000 C   0  0  0  0  0  0           0  0  0
    1.2333   -3.4417    0.0000 C   0  0  0  0  0  0           0  0  0
    1.9458   -3.4417    0.0000 N   0  0  0  0  0  0           0  0  0
    2.1651   -2.7617    0.0000 C   0  0  0  0  0  0           0  0  0
    2.7750   -2.4000    0.0000 N   0  0  0  0  0  0           0  0  0
    0.6125   -3.7917    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.0006   -3.4265    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.6209   -3.7759    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.6286   -4.4892    0.0000 N   0  0  0  0  0  0           0  0  0
   -0.0108   -4.8518    0.0000 C   0  0  0  0  0  0           0  0  0
    0.6070   -4.5003    0.0000 C   0  0  0  0  0  0           0  0  0
    3.3925   -2.7469    0.0000 C   0  0  0  0  0  0           0  0  0
    3.3977   -3.4552    0.0000 C   0  0  0  0  0  0           0  0  0
    4.0145   -3.8021    0.0000 C   0  0  0  0  0  0           0  0  0
    4.6246   -3.4407    0.0000 C   0  0  0  0  0  0           0  0  0
    4.6140   -2.7288    0.0000 C   0  0  0  0  0  0           0  0  0
    3.9967   -2.3851    0.0000 C   0  0  0  0  0  0           0  0  0
    5.2220   -2.3653    0.0000 C   0  0  0  0  0  0           0  0  0
  8  9  1  0     0  0
  1  2  1  0     0  0
  9 10  2  0     0  0
  3  4  1  0     0  0
 10 11  1  0     0  0
  4  5  2  0     0  0
 11 12  2  0     0  0
 12  7  1  0     0  0
  5  1  1  0     0  0
  6 13  1  0     0  0
 13 14  2  0     0  0
  5  6  1  0     0  0
 14 15  1  0     0  0
 15 16  2  0     0  0
  3  7  1  0     0  0
 16 17  1  0     0  0
  2  3  2  0     0  0
 17 18  2  0     0  0
 18 13  1  0     0  0
  7  8  2  0     0  0
 17 19  1  0     0  0
M  END

$$$$
D01CJZ
  -OEChem-10101305022D

 33 34  0     0  0  0  0  0  0999 V2000
    2.8660   -2.8947    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7026    3.0998    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1808    2.4417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.8947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.3947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.3947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.1053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.3947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.3947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.6053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.6053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.1053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5116    1.6986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6808    3.3077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -0.5847    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7880   -0.8121    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3894   -1.5024    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3426   -1.5024    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9441   -0.8121    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6540    0.6879    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2554   -0.0024    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3894   -2.2870    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7880   -2.9773    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9441   -2.9773    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3426   -2.2870    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9441    0.0227    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3426    0.7130    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.5147    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5200    2.1879    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1215    1.4976    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2418    3.5147    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6405    1.0921    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9329    3.8741    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 28  1  0  0  0  0
  2 12  1  0  0  0  0
  2 14  1  0  0  0  0
  2 31  1  0  0  0  0
  3 13  1  0  0  0  0
  3 14  2  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4  7  1  0  0  0  0
  4 15  1  0  0  0  0
  5  8  1  0  0  0  0
  5 16  1  0  0  0  0
  5 17  1  0  0  0  0
  6  9  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
  7 20  1  0  0  0  0
  7 21  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 11  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
 11 29  1  0  0  0  0
 11 30  1  0  0  0  0
 12 13  2  0  0  0  0
 13 32  1  0  0  0  0
 14 33  1  0  0  0  0
M  END

$$$$
D01CNF
  -OEChem-10191522312D

 64 67  0     1  0  0  0  0  0999 V2000
    8.4752    2.2226    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
   10.1980    2.4007    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
    5.9405    0.4582    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.0400    1.1919    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6844    2.7204    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4026    0.9626    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6651    1.6362    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.4211    2.2047    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.8069    3.6633    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1109    1.9924    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5328    0.2188    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2852    2.8090    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0615    1.4126    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8888    3.0326    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6063    3.3135    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7897    1.4878    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7783    0.5099    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783   -0.7997    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783   -2.4092    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.6045    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.1045    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.6045    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9917    1.7688    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.4026    0.9608    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.9422    1.4582    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.9889    0.1508    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   13.7006    2.6689    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.8337    2.1704    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   14.4426    1.9985    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.7523    2.0445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0343    1.0857    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   11.9209    2.5787    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.2619   -1.6045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8660   -2.6045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0890    1.4604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.1045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0675    1.6666    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.1812    3.0075    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.3512    1.7811    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.6041    2.5971    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0999    2.5580    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3070    2.4760    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.6535    1.1171    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.2685    3.0922    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   14.3737    3.9145    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.2219   -0.3176    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -0.7945    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.1953    1.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.6742    1.7945    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.9396    2.2733    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8084    0.8466    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    3.4030   -3.9145    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2428    3.8157    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1 12  1  0  0  0  0
  1 13  1  0  0  0  0
  1 14  2  0  0  0  0
  2 10  1  0  0  0  0
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  2 15  1  0  0  0  0
  2 16  2  0  0  0  0
  3 25  1  0  0  0  0
  3 26  1  0  0  0  0
  4 28  1  0  0  0  0
  4 31  1  0  0  0  0
 23  5  1  6  0  0  0
  5 52  1  0  0  0  0
 24  6  1  6  0  0  0
  6 53  1  0  0  0  0
  7 30  1  0  0  0  0
 29  8  1  1  0  0  0
  8 37  1  0  0  0  0
 27  9  1  1  0  0  0
  9 55  1  0  0  0  0
 10 32  1  0  0  0  0
 11 31  1  0  0  0  0
 11 56  1  0  0  0  0
 13 61  1  0  0  0  0
 15 64  1  0  0  0  0
 17 37  2  0  0  0  0
 26 18  1  1  0  0  0
 18 33  1  0  0  0  0
 18 34  1  0  0  0  0
 19 34  2  0  0  0  0
 19 35  1  0  0  0  0
 20 33  2  0  0  0  0
 20 38  1  0  0  0  0
 21 36  1  0  0  0  0
 21 38  2  0  0  0  0
 22 36  1  0  0  0  0
 22 62  1  0  0  0  0
 22 63  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  1  0  0  0  0
 23 40  1  0  0  0  0
 24 26  1  0  0  0  0
 24 41  1  0  0  0  0
 25 30  1  1  0  0  0
 25 42  1  0  0  0  0
 26 43  1  0  0  0  0
 27 28  1  0  0  0  0
 27 29  1  0  0  0  0
 27 44  1  0  0  0  0
 28 32  1  6  0  0  0
 28 45  1  0  0  0  0
 29 31  1  0  0  0  0
 29 46  1  0  0  0  0
 30 47  1  0  0  0  0
 30 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
 33 35  1  0  0  0  0
 34 54  1  0  0  0  0
 35 36  2  0  0  0  0
 37 39  1  0  0  0  0
 38 57  1  0  0  0  0
 39 58  1  0  0  0  0
 39 59  1  0  0  0  0
 39 60  1  0  0  0  0
M  END

$$$$
D01CQU
  -OEChem-10191522262D

 66 69  0     0  0  0  0  0  0999 V2000
    3.7320   -0.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   11.8600    0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 37 64  1  0  0  0  0
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 37 66  1  0  0  0  0
M  END

$$$$
D01CRJ
  -OEChem-10191522522D

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 30 32  1  0  0  0  0
 30 66  1  0  0  0  0
 32 67  1  0  0  0  0
M  END

$$$$
D01CRK
  -OEChem-10101305022D

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  1 23  1  0  0  0  0
  2 16  2  0  0  0  0
  2 17  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3  8  2  0  0  0  0
  4  6  1  0  0  0  0
  4 18  1  0  0  0  0
  4 19  1  0  0  0  0
  5  7  1  0  0  0  0
  5 10  2  0  0  0  0
  6  9  1  0  0  0  0
  6 20  1  0  0  0  0
  6 21  1  0  0  0  0
  7 11  2  0  0  0  0
  8 22  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 24  1  0  0  0  0
 11 13  1  0  0  0  0
 11 25  1  0  0  0  0
 12 13  2  0  0  0  0
 12 26  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 17  2  0  0  0  0
 15 29  1  0  0  0  0
 16 30  1  0  0  0  0
 17 31  1  0  0  0  0
M  END

$$$$
D01CSE
  -OEChem-10101305032D

 32 33  0     0  0  0  0  0  0999 V2000
    7.7331   -2.1900    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    9.4651    0.8100    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    2.3100    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -2.1900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0010   -0.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    0.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    1.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -0.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -0.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.5991    1.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.4030    1.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.3800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4040   -0.3800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    0.1900    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
    6.0010   -2.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    3.4300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1360    2.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.1900    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
    2.0000    1.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    0.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 16  1  0  0  0  0
  2 18  1  0  0  0  0
  3 21  2  0  0  0  0
  4 15  1  0  0  0  0
  4 30  1  0  0  0  0
  5  6  1  0  0  0  0
  5  9  2  0  0  0  0
  6 21  1  0  0  0  0
  6 29  1  0  0  0  0
  7 21  1  0  0  0  0
  7 31  1  0  0  0  0
  7 32  1  0  0  0  0
  8  9  1  0  0  0  0
  8 11  2  0  0  0  0
  8 12  1  0  0  0  0
  9 10  1  0  0  0  0
 10 13  2  0  0  0  0
 10 14  1  0  0  0  0
 11 15  1  0  0  0  0
 11 22  1  0  0  0  0
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 13 18  1  0  0  0  0
 13 24  1  0  0  0  0
 14 19  2  0  0  0  0
 14 25  1  0  0  0  0
 15 17  2  0  0  0  0
 16 17  1  0  0  0  0
 17 26  1  0  0  0  0
 18 20  2  0  0  0  0
 19 20  1  0  0  0  0
 19 27  1  0  0  0  0
 20 28  1  0  0  0  0
M  END

$$$$
D01CSM
  -OEChem-10191521252D

 75 79  0     1  0  0  0  0  0999 V2000
    2.0000    2.3554    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.8550   -0.3999    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.4660    4.1235    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9939    0.8554    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8255    0.1689    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.9044   -0.7106    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8055   -0.0892    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5193   -1.8885    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0976   -4.2020    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    5.5443    0.5506    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.9866    1.4540    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7320    2.9754    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0798    4.0361    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8435    2.8613    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.2646    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291    0.5454    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0156    5.2653    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3455    4.4028    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3129    0.3236    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1886    0.3679    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1442    1.2436    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8024    2.3018    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    8.5899    2.5617    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1 28  1  0  0  0  0
  2  7  2  0  0  0  0
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  2 12  1  0  0  0  0
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 18  3  1  6  0  0  0
  3 51  1  0  0  0  0
  4 20  2  0  0  0  0
  5 23  2  0  0  0  0
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  6 38  1  0  0  0  0
  9 36  1  0  0  0  0
  9 42  1  0  0  0  0
 10 41  1  0  0  0  0
 10 43  1  0  0  0  0
 14 11  1  6  0  0  0
 11 15  1  0  0  0  0
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 13 23  1  0  0  0  0
 13 33  1  0  0  0  0
 13 34  1  0  0  0  0
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 14 20  1  0  0  0  0
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 15 44  1  0  0  0  0
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 16 45  1  0  0  0  0
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 30 36  2  0  0  0  0
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 33 60  1  0  0  0  0
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 35 63  1  0  0  0  0
 36 39  1  0  0  0  0
 37 40  2  0  0  0  0
 37 64  1  0  0  0  0
 38 65  1  0  0  0  0
 38 66  1  0  0  0  0
 38 67  1  0  0  0  0
 39 41  2  0  0  0  0
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 40 41  1  0  0  0  0
 40 69  1  0  0  0  0
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 42 72  1  0  0  0  0
 43 73  1  0  0  0  0
 43 74  1  0  0  0  0
 43 75  1  0  0  0  0
M  ISO  6  70   3  71   3  72   3  73   3  74   3  75   3
M  END

$$$$
D01CSZ
  -OEChem-10101305022D

 29 30  0     0  0  0  0  0  0999 V2000
    3.7320    2.5950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    5.4920    1.6297    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    4.5981    0.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8660   -2.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4920   -0.4397    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
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 14 15  1  0  0  0  0
 14 27  1  0  0  0  0
 15 28  1  0  0  0  0
M  END

$$$$
D01CTM
  -OEChem-10191521542D

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 31 33  2  0  0  0  0
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 39 67  1  0  0  0  0
 39 68  1  0  0  0  0
 39 69  1  0  0  0  0
M  END

$$$$
D01CUJ
  -OEChem-10101305022D

 36 37  0     1  0  0  0  0  0999 V2000
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 20 36  1  0  0  0  0
M  END

$$$$
D01CUR
  -OEChem-10101305022D

 28 30  0     0  0  0  0  0  0999 V2000
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    8.5820   -2.4242    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4574   -2.4734    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5066   -1.5980    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  1  0  0  0  0
  1 15  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 11  1  0  0  0  0
  3 12  2  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  4  8  2  0  0  0  0
  5  6  1  0  0  0  0
  5  9  2  0  0  0  0
  6 10  2  0  0  0  0
  7 11  2  0  0  0  0
  8 12  1  0  0  0  0
  8 18  1  0  0  0  0
  9 13  1  0  0  0  0
  9 19  1  0  0  0  0
 10 14  1  0  0  0  0
 10 20  1  0  0  0  0
 11 21  1  0  0  0  0
 13 14  2  0  0  0  0
 13 22  1  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
 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

$$$$
D01CWN
  -OEChem-10191522042D

 20 20  0     1  0  0  0  0  0999 V2000
    5.0298   -0.5357    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3548    1.5521    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4608   -0.2266    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0868    2.5521    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1330   -2.2957    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3086   -2.2957    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2208    0.0521    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.2208    1.0521    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.4118   -0.5357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0868    1.5521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7208   -1.4867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7208   -1.4867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9782    0.4380    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2208    1.6721    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2989    0.9695    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6974    1.6598    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3548    2.1721    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.6415    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6238    2.8621    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3852   -2.8621    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1 12  1  0  0  0  0
  8  2  1  6  0  0  0
  2 17  1  0  0  0  0
  3  9  1  0  0  0  0
  3 18  1  0  0  0  0
  4 10  1  0  0  0  0
  4 19  1  0  0  0  0
  5 11  1  0  0  0  0
  5 20  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 13  1  1  0  0  0
  8 10  1  0  0  0  0
  8 14  1  0  0  0  0
  9 11  2  0  0  0  0
 10 15  1  0  0  0  0
 10 16  1  0  0  0  0
 11 12  1  0  0  0  0
M  END

$$$$
D01CXD
  -OEChem-10101305022D

 31 33  0     0  0  0  0  0  0999 V2000
    5.5321    1.4573    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660   -0.0427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321   -0.5427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000   -0.5427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660   -2.0427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321   -1.5427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000   -1.5427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660    0.9573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4260   -0.0080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9061   -0.0080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4260   -2.0773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9061   -2.0773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3321   -0.5219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.5219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.5635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3321   -1.5635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2030    0.2673    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2675   -2.5176    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0646   -2.5176    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4540    1.5399    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0555    0.8497    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4188    0.6120    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9132    0.6120    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4188   -2.6973    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9132   -2.6973    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8678   -0.2098    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4643   -0.2098    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4643   -1.8756    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8678   -1.8756    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321    2.0773    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0690    1.1473    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
  1 30  1  0  0  0  0
  1 31  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  8  1  0  0  0  0
  2 17  1  0  0  0  0
  3  6  1  0  0  0  0
  3  9  2  0  0  0  0
  4  7  1  0  0  0  0
  4 10  2  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 18  1  0  0  0  0
  5 19  1  0  0  0  0
  6 11  2  0  0  0  0
  7 12  2  0  0  0  0
  8 20  1  0  0  0  0
  8 21  1  0  0  0  0
  9 13  1  0  0  0  0
  9 22  1  0  0  0  0
 10 14  1  0  0  0  0
 10 23  1  0  0  0  0
 11 16  1  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 16  2  0  0  0  0
 13 26  1  0  0  0  0
 14 15  2  0  0  0  0
 14 27  1  0  0  0  0
 15 28  1  0  0  0  0
 16 29  1  0  0  0  0
M  END

$$$$
D01CXM
  -OEChem-10101305032D

 29 30  0     0  0  0  0  0  0999 V2000
    2.8660   -0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3580   -0.7847    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1282   -0.7742    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.7500    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
    3.7320   -0.2500    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
    4.5981    1.2500    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
    6.3580    1.2847    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
    2.8660   -1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641    0.7708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641   -0.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3509    1.9046    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0781   -2.3326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4766   -1.6423    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7998    1.0829    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4860    2.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    2.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2460    2.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -1.7131    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -2.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   -2.7869    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1 13  1  0  0  0  0
  2  8  1  0  0  0  0
  2 15  1  0  0  0  0
  3 12  2  0  0  0  0
  4 15  2  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 12  1  0  0  0  0
  7 10  1  0  0  0  0
  8 10  2  0  0  0  0
  9 18  1  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 16  1  0  0  0  0
 13 17  1  0  0  0  0
 13 21  1  0  0  0  0
 13 22  1  0  0  0  0
 14 15  1  0  0  0  0
 14 23  1  0  0  0  0
 16 24  1  0  0  0  0
 16 25  1  0  0  0  0
 16 26  1  0  0  0  0
 17 27  1  0  0  0  0
 17 28  1  0  0  0  0
 17 29  1  0  0  0  0
M  END

$$$$
D01CYI
  -OEChem-10101305022D

 29 31  0     0  0  0  0  0  0999 V2000
    6.8671   -1.2673    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3972    1.7568    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -1.7673    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    0.2327    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    1.7327    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    0.2327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -0.2673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -0.2673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    1.2327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    1.2327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6270   -0.3020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6270    1.7673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.2327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -1.2673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5331    1.2535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5331    0.2119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -0.2673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -1.7673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -1.2673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.5427    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6199   -0.9220    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6199    2.3873    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.8527    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6720   -1.5773    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0688   -0.1002    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.0427    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -2.3873    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9353    1.4489    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.4573    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  2  0  0  0  0
  2 15  1  0  0  0  0
  2 28  1  0  0  0  0
  3 19  1  0  0  0  0
  3 29  1  0  0  0  0
  4  7  1  0  0  0  0
  4  8  1  0  0  0  0
  4 10  1  0  0  0  0
  5  9  1  0  0  0  0
  5 10  2  0  0  0  0
  6  7  1  0  0  0  0
  6  9  2  0  0  0  0
  6 11  1  0  0  0  0
  8 13  2  0  0  0  0
  8 14  1  0  0  0  0
  9 12  1  0  0  0  0
 10 20  1  0  0  0  0
 11 16  2  0  0  0  0
 11 21  1  0  0  0  0
 12 15  2  0  0  0  0
 12 22  1  0  0  0  0
 13 17  1  0  0  0  0
 13 23  1  0  0  0  0
 14 18  2  0  0  0  0
 14 24  1  0  0  0  0
 15 16  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 19  1  0  0  0  0
 18 27  1  0  0  0  0
M  END

$$$$
D01DAQ
  -OEChem-10101305032D

 24 25  0     0  0  0  0  0  0999 V2000
    4.2208    1.7694    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.9529    2.7694    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6849   -0.2306    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2208   -1.2306    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9529   -0.2306    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8189    1.2694    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7208   -2.7694    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4608   -1.5094    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2208   -0.2306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0868    0.2694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0868    1.2694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4118   -1.8184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0298   -1.8184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9529    1.7694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8189    0.2694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7208   -2.7694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0088    0.3520    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6102   -0.3382    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9529   -0.8506    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6195   -1.6268    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3558    1.5794    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0852   -3.2710    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.9242    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3318   -0.9029    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  0  0  0  0
  2 14  2  0  0  0  0
  3 15  2  0  0  0  0
  4  9  1  0  0  0  0
  4 12  1  0  0  0  0
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  7 12  2  0  0  0  0
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 10 11  2  0  0  0  0
 11 14  1  0  0  0  0
 13 16  2  0  0  0  0
 13 20  1  0  0  0  0
 16 22  1  0  0  0  0
M  END

$$$$
D01DAU
  -OEChem-10101305022D

 33 34  0     0  0  0  0  0  0999 V2000
    7.3007    3.2898    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  1  5  1  0  0  0  0
  1 14  1  0  0  0  0
  1 22  1  0  0  0  0
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  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3 18  1  0  0  0  0
  3 19  1  0  0  0  0
  4  6  2  0  0  0  0
  4  7  1  0  0  0  0
  5 10  2  0  0  0  0
  6  8  1  0  0  0  0
  6 20  1  0  0  0  0
  7  9  2  0  0  0  0
  7 21  1  0  0  0  0
  8 11  2  0  0  0  0
  8 16  1  0  0  0  0
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  9 23  1  0  0  0  0
 10 24  1  0  0  0  0
 11 25  1  0  0  0  0
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 12 15  1  0  0  0  0
 12 26  1  0  0  0  0
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 13 17  1  0  0  0  0
 13 28  1  0  0  0  0
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 15 31  1  0  0  0  0
 15 32  1  0  0  0  0
 15 33  1  0  0  0  0
 16 17  3  0  0  0  0
M  END

$$$$
D01DBW
  -OEChem-10101305022D

210216  0     1  0  0  0  0  0999 V2000
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M  END

$$$$
D01DCE
  -OEChem-10101305022D

 32 34  0     1  0  0  0  0  0999 V2000
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M  END

$$$$
D01DDB
  -OEChem-10101305022D

 39 41  0     0  0  0  0  0  0999 V2000
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    6.3301   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.6603    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1 21  2  0  0  0  0
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  2 14  1  0  0  0  0
  2 28  1  0  0  0  0
  3  7  1  0  0  0  0
  3 12  2  0  0  0  0
  4  9  1  0  0  0  0
  4 21  1  0  0  0  0
  4 30  1  0  0  0  0
  5 15  1  0  0  0  0
  5 16  2  0  0  0  0
  6  7  1  0  0  0  0
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  6 10  1  0  0  0  0
  7 15  2  0  0  0  0
  8  9  1  0  0  0  0
  8 24  1  0  0  0  0
  9 11  2  0  0  0  0
 10 13  2  0  0  0  0
 10 25  1  0  0  0  0
 11 13  1  0  0  0  0
 11 26  1  0  0  0  0
 12 16  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 29  1  0  0  0  0
 16 31  1  0  0  0  0
 17 19  1  0  0  0  0
 17 32  1  0  0  0  0
 18 20  2  0  0  0  0
 18 33  1  0  0  0  0
 19 22  2  0  0  0  0
 19 34  1  0  0  0  0
 20 22  1  0  0  0  0
 20 35  1  0  0  0  0
 21 23  1  0  0  0  0
 22 36  1  0  0  0  0
 23 37  1  0  0  0  0
 23 38  1  0  0  0  0
 23 39  1  0  0  0  0
M  END

$$$$
D01DEU
  BIDD-NUS20110812001D

 12 13  0  0  0  0  0  0  0  0999 V2000
    2.1329    0.6872    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  6  7  2  0  0  0  0 
  2  3  1  0  0  0  0 
  7  8  1  0  0  0  0 
  3  4  1  0  0  0  0 
  8  9  2  0  0  0  0 
  4  5  1  0  0  0  0 
  9 10  1  0  0  0  0 
  5  1  1  0  0  0  0 
 10 11  2  0  0  0  0 
 11  6  1  0  0  0  0 
  1  6  1  0  0  0  0 
  1  2  2  0  0  0  0 
  9 12  1  0  0  0  0 
M  ENDM  END

$$$$
D01DFX
  -OEChem-10101305032D

 24 25  0     0  0  0  0  0  0999 V2000
    3.7320    1.1488    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3147    1.4852    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.3512    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    3.8366    2.1433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8535   -0.2361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7320   -0.8512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.8512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  4  1  0  0  0  0
  1  6  1  0  0  0  0
  1  7  1  0  0  0  0
  2  6  2  0  0  0  0
  2  9  1  0  0  0  0
  3 12  2  0  0  0  0
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  8 17  1  0  0  0  0
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 10 12  1  0  0  0  0
 10 21  1  0  0  0  0
 11 13  2  0  0  0  0
 11 22  1  0  0  0  0
 12 23  1  0  0  0  0
 13 24  1  0  0  0  0
M  END

$$$$
D01DHW
  -OEChem-04152110332D

 57 62  0     0  0  0  0  0  0999 V2000
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    9.1390   -1.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4070   -2.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.0490   -2.7111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.0571   -3.7527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.4028   -5.3931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.0133    5.3931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6716   -0.2293    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8745   -0.2293    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7496   -1.3119    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   10.5824   -2.3949    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1 18  1  0  0  0  0
  1 24  1  0  0  0  0
  2 19  1  0  0  0  0
  2 24  1  0  0  0  0
  3 20  1  0  0  0  0
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  4 22  1  0  0  0  0
  4 27  1  0  0  0  0
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  7  8  1  0  0  0  0
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  8 10  1  0  0  0  0
  8 36  1  0  0  0  0
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  9 11  1  0  0  0  0
  9 13  1  0  0  0  0
 10 11  1  0  0  0  0
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 13 15  2  0  0  0  0
 13 39  1  0  0  0  0
 14 15  1  0  0  0  0
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 16 18  1  0  0  0  0
 16 40  1  0  0  0  0
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 17 41  1  0  0  0  0
 18 19  2  0  0  0  0
 20 22  2  0  0  0  0
 21 23  2  0  0  0  0
 21 42  1  0  0  0  0
 22 23  1  0  0  0  0
 23 43  1  0  0  0  0
 24 44  1  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
 25 47  1  0  0  0  0
 26 48  1  0  0  0  0
 26 49  1  0  0  0  0
 27 50  1  0  0  0  0
 27 51  1  0  0  0  0
 27 52  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
 29 53  1  0  0  0  0
 30 32  2  0  0  0  0
 30 54  1  0  0  0  0
 31 33  2  0  0  0  0
 31 55  1  0  0  0  0
 32 33  1  0  0  0  0
 32 56  1  0  0  0  0
 33 57  1  0  0  0  0
M  CHG  1   6   1
M  END

$$$$
D01DIQ
  -OEChem-10101305032D

 79 85  0     1  0  0  0  0  0999 V2000
    6.8125    4.0694    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7612    0.5841    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   10.4548    0.2211    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5682   -3.3826    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    7.4053    1.7482    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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 43 78  1  0  0  0  0
 43 79  1  0  0  0  0
M  END

$$$$
D01DIT
  -OEChem-10101305032D

 60 59  0     0  0  0  0  0  0999 V2000
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   11.5263    3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 10 14  1  0  0  0  0
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 11 17  2  0  0  0  0
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 13 16  1  0  0  0  0
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 13 42  1  0  0  0  0
 15 19  1  0  0  0  0
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 17 18  1  0  0  0  0
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 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
M  END

$$$$
D01DMN
  -OEChem-10191522512D

 51 53  0     1  0  0  0  0  0999 V2000
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    7.0288   -2.4431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9673   -1.9912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3746    0.5870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8960    3.1055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7682   -1.1372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1577   -0.3695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4621    4.0065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1805   -3.2694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7743   -4.0065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6950   -2.1139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1505    1.4478    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3252    1.6473    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6286    1.9828    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9487    0.3275    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7766    1.0812    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7144    2.3256    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5926   -0.6764    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2532    1.6361    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0149   -1.7012    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4976   -1.6950    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0207    4.2755    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1931    4.5651    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9035    3.7375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5629   -3.2159    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1271   -3.8871    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7982   -3.3229    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4231   -4.5174    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2852   -4.3577    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1255   -3.4956    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9661   -2.6715    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2525   -1.8428    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4238   -1.5564    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.1845    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 15  1  0  0  0  0
  1 26  1  0  0  0  0
  2 19  1  0  0  0  0
  2 27  1  0  0  0  0
  3 20  1  0  0  0  0
  3 28  1  0  0  0  0
  4 21  2  0  0  0  0
  5 24  1  0  0  0  0
  5 51  1  0  0  0  0
  6 22  2  0  0  0  0
  8  7  1  1  0  0  0
  7 22  1  0  0  0  0
  7 34  1  0  0  0  0
  8  9  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 12  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 17  2  0  0  0  0
 12 13  1  0  0  0  0
 12 16  2  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
 14 18  2  0  0  0  0
 15 19  1  0  0  0  0
 16 20  1  0  0  0  0
 16 35  1  0  0  0  0
 17 21  1  0  0  0  0
 17 36  1  0  0  0  0
 18 23  1  0  0  0  0
 18 37  1  0  0  0  0
 19 20  2  0  0  0  0
 21 24  1  0  0  0  0
 22 25  1  0  0  0  0
 23 24  2  0  0  0  0
 23 38  1  0  0  0  0
 25 39  1  0  0  0  0
 25 40  1  0  0  0  0
 25 41  1  0  0  0  0
 26 42  1  0  0  0  0
 26 43  1  0  0  0  0
 26 44  1  0  0  0  0
 27 45  1  0  0  0  0
 27 46  1  0  0  0  0
 27 47  1  0  0  0  0
 28 48  1  0  0  0  0
 28 49  1  0  0  0  0
 28 50  1  0  0  0  0
M  END

$$$$
D01DMS
  -OEChem-10191521182D

 23 23  0     1  0  0  0  0  0999 V2000
    5.4641    2.3100    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -2.6900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.3100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.6900    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
    3.7320    0.3100    0.0000 N   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
    2.8660    1.8100    0.0000 N   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
    4.5981   -1.1900    0.0000 C   0  0  1  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
    4.5981   -2.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1215   -0.5823    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5200   -1.2726    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -1.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    0.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -1.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.0700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291    2.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -3.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 14  1  0  0  0  0
  2 13  1  0  0  0  0
  2 23  1  0  0  0  0
  3 11  2  0  0  0  0
  4 13  2  0  0  0  0
  5 15  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
 10  7  1  6  0  0  0
  7 20  1  0  0  0  0
  7 21  1  0  0  0  0
  8 11  1  0  0  0  0
  8 15  1  0  0  0  0
  8 22  1  0  0  0  0
  9 10  1  0  0  0  0
  9 16  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
 12 14  2  0  0  0  0
 12 19  1  0  0  0  0
 14 15  1  0  0  0  0
M  END

$$$$
D01DMT
          04280901052D 1   1.00000     0.00000     0

 40 44  0     0  0            999 V2000
    4.1416   -8.8417    0.0000 C   0  0  0  0  0  0           0  0  0
    3.5641   -9.2576    0.0000 C   0  0  0  0  0  0           0  0  0
    3.7833   -9.9375    0.0000 N   0  0  0  0  0  0           0  0  0
    4.4958   -9.9375    0.0000 C   0  0  0  0  0  0           0  0  0
    4.7151   -9.2576    0.0000 N   0  0  0  0  0  0           0  0  0
   -0.1000   -7.1250    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.1000   -7.8333    0.0000 C   0  0  1  0  0  0           0  0  0
    0.5120   -8.1875    0.0000 C   0  0  0  0  0  0           0  0  0
    0.5120   -6.7708    0.0000 C   0  0  0  0  0  0           0  0  0
    1.1240   -7.1250    0.0000 C   0  0  1  0  0  0           0  0  0
    1.1210   -7.8333    0.0000 C   0  0  3  0  0  0           0  0  0
    1.7296   -8.1881    0.0000 C   0  0  1  0  0  0           0  0  0
    2.3450   -7.8385    0.0000 C   0  0  0  0  0  0           0  0  0
    1.7356   -6.7715    0.0000 C   0  0  2  0  0  0           0  0  0
    2.3461   -7.1315    0.0000 C   0  0  2  0  0  0           0  0  0
    2.3577   -5.7164    0.0000 C   0  0  0  0  0  0           0  0  0
    1.7387   -6.0646    0.0000 C   0  0  0  0  0  0           0  0  0
    2.9682   -6.0764    0.0000 C   0  0  1  0  0  0           0  0  0
    2.9610   -6.7833    0.0000 C   0  0  1  0  0  0           0  0  0
    3.6310   -7.0086    0.0000 C   0  0  0  0  0  0           0  0  0
    4.0524   -6.4410    0.0000 C   0  0  0  0  0  0           0  0  0
    3.6427   -5.8649    0.0000 C   0  0  2  0  0  0           0  0  0
   -0.7136   -8.1872    0.0000 O   0  0  0  0  0  0           0  0  0
    1.1167   -6.4167    0.0000 C   0  0  0  0  0  0           0  0  0
    1.1167   -8.5375    0.0000 O   0  0  0  0  0  0           0  0  0
    2.9625   -5.3667    0.0000 C   0  0  0  0  0  0           0  0  0
    3.6375   -5.1542    0.0000 C   0  0  3  0  0  0           0  0  0
    4.2483   -4.7955    0.0000 C   0  0  0  0  0  0           0  0  0
    3.0215   -4.8045    0.0000 C   0  0  0  0  0  0           0  0  0
    4.8643   -5.1452    0.0000 C   0  0  0  0  0  0           0  0  0
    5.4752   -4.7865    0.0000 C   0  0  0  0  0  0           0  0  0
    6.0912   -5.1362    0.0000 C   0  0  3  0  0  0           0  0  0
    6.7020   -4.7776    0.0000 C   0  0  0  0  0  0           0  0  0
    6.0964   -5.8445    0.0000 C   0  0  0  0  0  0           0  0  0
    1.7256   -8.8964    0.0000 N   0  0  0  0  0  0           0  0  0
    2.3370   -9.2541    0.0000 C   0  0  0  0  0  0           0  0  0
    2.9524   -8.9033    0.0000 C   0  0  0  0  0  0           0  0  0
    1.7292   -7.4792    0.0000 H   0  0  0  0  0  0           0  0  0
    2.9542   -7.4875    0.0000 H   0  0  0  0  0  0           0  0  0
    2.3417   -6.4208    0.0000 H   0  0  0  0  0  0           0  0  0
  8 11  1  0     0  0
 10  9  1  0     0  0
 10 11  1  0     0  0
  4  5  1  0     0  0
 19 20  1  0     0  0
 20 21  1  0     0  0
 21 22  1  0     0  0
 22 18  1  0     0  0
  5  1  1  0     0  0
  7 23  1  1     0  0
  6  7  1  0     0  0
 10 24  1  1     0  0
  2  3  1  0     0  0
 11 25  1  0     0  0
 10 14  1  0     0  0
 18 26  1  1     0  0
 11 12  1  0     0  0
 22 27  1  1     0  0
 12 13  1  0     0  0
 27 28  1  0     0  0
 13 15  1  0     0  0
 27 29  1  0     0  0
 14 15  1  0     0  0
 28 30  1  0     0  0
 30 31  1  0     0  0
  1  2  2  0     0  0
 31 32  1  0     0  0
  3  4  2  0     0  0
 32 33  1  0     0  0
  6  9  1  0     0  0
 32 34  1  0     0  0
 14 17  1  0     0  0
 12 35  1  1     0  0
 15 19  1  0     0  0
 35 36  1  0     0  0
 18 16  1  0     0  0
 36 37  1  0     0  0
 37  2  1  0     0  0
 16 17  1  0     0  0
 14 38  1  6     0  0
 18 19  1  0     0  0
 19 39  1  6     0  0
  7  8  1  0     0  0
 15 40  1  1     0  0
M  END

$$$$
D01DNN
  -OEChem-10101305022D

141145  0     1  0  0  0  0  0999 V2000
   14.9904    2.2839    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.2347    2.8379    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.9904   -0.7161    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.8310    3.0958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.3923   -0.2161    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.4058    6.3393    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5263   -0.7161    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.9411    4.6920    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.7821    3.4049    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    4.2839    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -7.7161    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -6.2161    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.8564    0.7839    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   17.9289    2.4778    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.2583    1.2839    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   19.2958    4.7431    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603    0.7839    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.3232    7.4196    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282   -0.2161    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -6.7161    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.7700    1.1906    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   17.4391    0.4475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9391   -0.4185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9609   -0.2106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9904    1.2839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9779    2.1688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1244    0.7839    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   14.1244   -0.2161    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   18.1368    3.4560    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   17.3937    4.1251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2583   -0.7161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.6016    5.1032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.0879    3.7650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3923    0.7839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5263    1.2839    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   16.8585    5.7724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5263    2.2839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.2469    5.0521    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   17.0664    6.7505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603    2.7839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.4548    6.0303    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.6603   -0.2161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942   -0.7161    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   20.9900    4.3830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603    3.7839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942    2.2839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.7116    6.6994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942   -1.7161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942    4.2839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    2.7839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    3.7839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942    5.2839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282   -2.2161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603    5.7839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -1.7161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282   -3.2161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -2.2161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -3.7161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -3.2161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5263    5.2839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603    6.7839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -3.7161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3923    5.7839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1 25  2  0  0  0  0
  2 26  2  0  0  0  0
 28  3  1  6  0  0  0
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 41  6  1  1  0  0  0
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 60 63  1  0  0  0  0
 60127  1  0  0  0  0
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 62 66  2  0  0  0  0
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 63 65  2  0  0  0  0
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 65131  1  0  0  0  0
 66 69  1  0  0  0  0
 66132  1  0  0  0  0
 67 70  2  0  0  0  0
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 69134  1  0  0  0  0
 70135  1  0  0  0  0
 71 72  1  0  0  0  0
 71136  1  0  0  0  0
 71137  1  0  0  0  0
 72 73  1  0  0  0  0
 72138  1  0  0  0  0
M  END

$$$$
D01DOV
  -OEChem-10101305022D

 40 40  0     1  0  0  0  0  0999 V2000
    2.5369    4.1144    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -1.8856    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -1.8856    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    0.1144    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -2.8856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4600   -3.4734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0780   -3.4734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7690   -4.4244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7690   -4.4244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -0.3856    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.1350   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.1144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    1.1144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    1.6144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.5369    3.1144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8214   -2.6041    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8936   -3.7255    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6444   -3.7255    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3880   -2.9364    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1625   -4.5533    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8338   -5.0410    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    5.3754   -4.5533    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.5756    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.0569   -0.4682    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.4810    1.6970    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7924    1.7221    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1909    1.0318    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0135    2.5068    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6150    3.1970    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    0.7344    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5380   -0.1956    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9264    3.2221    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3249    2.5318    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    4.4244    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 16  1  0  0  0  0
  1 40  1  0  0  0  0
  2 11  2  0  0  0  0
  3  5  1  0  0  0  0
  3 11  1  0  0  0  0
  3 26  1  0  0  0  0
 10  4  1  6  0  0  0
  4 36  1  0  0  0  0
  4 37  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 17  1  0  0  0  0
  6  8  1  0  0  0  0
  6 18  1  0  0  0  0
  6 19  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  9  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 11  1  0  0  0  0
 10 12  1  0  0  0  0
 10 27  1  0  0  0  0
 12 13  1  0  0  0  0
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 13 14  1  0  0  0  0
 13 30  1  0  0  0  0
 13 31  1  0  0  0  0
 14 15  1  0  0  0  0
 14 32  1  0  0  0  0
 14 33  1  0  0  0  0
 15 16  1  0  0  0  0
 15 34  1  0  0  0  0
 15 35  1  0  0  0  0
 16 38  1  0  0  0  0
 16 39  1  0  0  0  0
M  END

$$$$
D01DOW
  -OEChem-10101305022D

  8  4  0     0  0  0  0  0  0999 V2000
    3.7320   -0.4330    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.4330    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.4330    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    3.7320    1.2990    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    4.5981    0.0670    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.9330    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.2320    0.4330    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    4.2320   -1.2990    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1  6  1  0  0  0  0
  1  7  1  0  0  0  0
  1  8  2  0  0  0  0
M  CHG  6   2   1   3   1   4   1   5  -1   6  -1   7  -1
M  END

$$$$
D01DPF
  -OEChem-10191522262D

 57 58  0     0  0  0  0  0  0999 V2000
    2.8660    3.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -2.5000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    2.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -1.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.0000    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
    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
    5.4641    0.5000    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    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
    5.4641   -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
    7.1962   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    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
    4.5981   -3.0000    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
    2.8660    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -4.0000    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
    2.8660    2.0000    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
    2.0000    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282   -4.5000    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
    7.5947    0.9749    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7976    0.9749    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6762   -3.0826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0747   -2.3923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7522   -0.5369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991   -0.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3722    0.5369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2881   -2.4631    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0611   -3.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9081   -3.5369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    1.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6728   -3.1077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2742   -2.4174    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1181    3.5826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7196    2.8923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    7.8162    4.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    5.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5762    4.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 25  1  0  0  0  0
  2 15  1  0  0  0  0
  2 21  1  0  0  0  0
  3 17  1  0  0  0  0
  3 22  1  0  0  0  0
  4 15  2  0  0  0  0
  5 17  2  0  0  0  0
  6 10  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
  7 11  1  0  0  0  0
  8 10  1  0  0  0  0
  8 15  1  0  0  0  0
  9 12  2  0  0  0  0
  9 17  1  0  0  0  0
 10 13  1  0  0  0  0
 11 16  1  0  0  0  0
 11 30  1  0  0  0  0
 11 31  1  0  0  0  0
 12 14  1  0  0  0  0
 13 18  1  0  0  0  0
 13 32  1  0  0  0  0
 13 33  1  0  0  0  0
 14 19  2  0  0  0  0
 14 20  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
 18 37  1  0  0  0  0
 18 38  1  0  0  0  0
 18 39  1  0  0  0  0
 19 25  1  0  0  0  0
 19 40  1  0  0  0  0
 20 26  2  0  0  0  0
 20 41  1  0  0  0  0
 21 23  1  0  0  0  0
 21 42  1  0  0  0  0
 21 43  1  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 28  1  0  0  0  0
 23 46  1  0  0  0  0
 23 47  1  0  0  0  0
 24 29  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
 26 27  1  0  0  0  0
 26 50  1  0  0  0  0
 27 51  1  0  0  0  0
 28 52  1  0  0  0  0
 28 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
 29 57  1  0  0  0  0
M  END

$$$$
D01DPN
  -OEChem-10101305022D

 28 29  0     0  0  0  0  0  0999 V2000
    2.4898    0.7784    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.9680    1.4365    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.5366   -2.5580    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9511   -0.9429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1590    0.0353    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0725    0.4420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.2519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9898    1.6444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5831    2.5580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9385   -0.0580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6706   -1.0580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8046   -0.5580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5366   -0.5580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6706   -2.0580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4026   -1.0580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4026   -2.0580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0373   -1.5568    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5707   -0.9645    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8084   -0.6622    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4103   -1.4435    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1916   -1.8416    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1495    2.8102    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3309    3.1244    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0167    2.3058    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5366    0.0620    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1336   -2.3680    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9396   -0.7480    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9396   -2.3680    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1  8  1  0  0  0  0
  2  6  1  0  0  0  0
  2  8  2  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  7  1  0  0  0  0
  4 17  1  0  0  0  0
  4 18  1  0  0  0  0
  5  6  2  0  0  0  0
  6 10  1  0  0  0  0
  7 19  1  0  0  0  0
  7 20  1  0  0  0  0
  7 21  1  0  0  0  0
  8  9  1  0  0  0  0
  9 22  1  0  0  0  0
  9 23  1  0  0  0  0
  9 24  1  0  0  0  0
 10 12  3  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
 13 15  2  0  0  0  0
 13 25  1  0  0  0  0
 14 26  1  0  0  0  0
 15 16  1  0  0  0  0
 15 27  1  0  0  0  0
 16 28  1  0  0  0  0
M  END

$$$$
D01DQT
  -OEChem-10101305022D

212216  0     1  0  0  0  0  0999 V2000
    9.1320    4.5000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    9.1320   -9.5000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   14.5961    7.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8640    5.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.3281    5.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5339    6.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1320    7.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3999    5.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.8595   -2.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.1275    0.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.1941    9.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   17.7256    0.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3954   -2.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   10.8640    6.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   15.1275   -1.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.3954   -0.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   10.8640   -7.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   14.5961    6.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.5961    4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 97179  1  0  0  0  0
 97180  1  0  0  0  0
 97181  1  0  0  0  0
 98182  1  0  0  0  0
 98183  1  0  0  0  0
 99100  2  0  0  0  0
 99184  1  0  0  0  0
100188  1  0  0  0  0
101107  2  0  0  0  0
103190  1  0  0  0  0
103191  1  0  0  0  0
104193  1  0  0  0  0
104194  1  0  0  0  0
104195  1  0  0  0  0
105106  1  0  0  0  0
105108  1  0  0  0  0
105196  1  0  0  0  0
107198  1  0  0  0  0
108110  1  0  0  0  0
108199  1  0  0  0  0
109201  1  0  0  0  0
110202  1  0  0  0  0
110203  1  0  0  0  0
110204  1  0  0  0  0
M  END

$$$$
D01DTE
  -OEChem-10101305022D

 25 26  0     0  0  0  0  0  0999 V2000
    4.2690    2.6900    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -3.3100    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.6900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -0.3100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    2.6900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -0.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    1.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -0.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    2.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -0.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0010    0.0700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    7.7331    3.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  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
  4  8  1  0  0  0  0
  4 24  1  0  0  0  0
  5 15  1  0  0  0  0
  5 25  1  0  0  0  0
  6  8  2  0  0  0  0
  6 10  1  0  0  0  0
  7  9  2  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
 10 16  2  0  0  0  0
 10 19  1  0  0  0  0
 11 14  2  0  0  0  0
 11 18  1  0  0  0  0
 12 17  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
 16 17  1  0  0  0  0
 16 23  1  0  0  0  0
M  END

$$$$
D01DTW
  -OEChem-04152122272D

 41 40  0     0  0  0  0  0  0999 V2000
    5.4641    0.4400    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   -0.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.5981   -0.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    0.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942   -0.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -1.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.4400    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
    9.7942   -1.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603    0.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5263   -0.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8626    0.9149    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    7.6636   -0.5349    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   11.2163   -0.5969    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   11.8363    0.4769    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 16  1  0  0  0  0
  1 17  1  0  0  0  0
  2  6  2  0  0  0  0
  2  8  1  0  0  0  0
  3  4  1  0  0  0  0
  3  6  1  0  0  0  0
  3 18  1  0  0  0  0
  3 19  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  1  0  0  0  0
  5 22  1  0  0  0  0
  5 23  1  0  0  0  0
  6 24  1  0  0  0  0
  7 11  1  0  0  0  0
  7 12  2  0  0  0  0
  8 25  1  0  0  0  0
  8 26  1  0  0  0  0
  8 27  1  0  0  0  0
  9 10  2  0  0  0  0
  9 28  1  0  0  0  0
 10 13  1  0  0  0  0
 10 14  1  0  0  0  0
 11 29  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
 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 39  1  0  0  0  0
 15 40  1  0  0  0  0
 15 41  1  0  0  0  0
M  END

$$$$
D01DYZ
  -OEChem-10101305022D

 56 58  0     0  0  0  0  0  0999 V2000
    9.0792    5.0690    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.8940    9.6062    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6679    8.5820    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7479    2.0369    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2838    2.0369    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0158    1.0369    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6200    6.0369    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1498    6.5369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1498    5.5369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2036    6.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2036    5.2322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0158    7.0369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.8819    6.5369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.0158    4.0369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9998    8.0784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7919    7.0438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8978    8.6062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1 56  1  0  0  0  0
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  2 26  1  0  0  0  0
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  7 35  1  0  0  0  0
  8  9  1  0  0  0  0
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 10 31  1  0  0  0  0
 10 32  1  0  0  0  0
 11 33  1  0  0  0  0
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 15 36  1  0  0  0  0
 16 21  2  0  0  0  0
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 17 19  2  0  0  0  0
 17 37  1  0  0  0  0
 18 20  2  0  0  0  0
 18 38  1  0  0  0  0
 19 20  1  0  0  0  0
 21 24  1  0  0  0  0
 21 39  1  0  0  0  0
 22 23  2  0  0  0  0
 22 40  1  0  0  0  0
 23 25  1  0  0  0  0
 24 25  2  0  0  0  0
 26 41  1  0  0  0  0
 26 42  1  0  0  0  0
 26 43  1  0  0  0  0
 27 44  1  0  0  0  0
 27 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
 29 50  1  0  0  0  0
 29 51  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
 30 55  1  0  0  0  0
M  END

$$$$
D01DZF
  -OEChem-10101305032D

 44 46  0     0  0  0  0  0  0999 V2000
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    4.5981    1.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    5.4641    0.5000    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
    8.0622   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.1962    0.5000    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
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    8.0622    1.0000    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
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 21 41  1  0  0  0  0
 22 24  2  0  0  0  0
 22 42  1  0  0  0  0
 23 43  1  0  0  0  0
 24 44  1  0  0  0  0
M  END

$$$$
D01EAQ
  -OEChem-10191521302D

 51 52  0     1  0  0  0  0  0999 V2000
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 27 28  1  0  0  0  0
 27 50  1  0  0  0  0
 28 51  1  0  0  0  0
M  END

$$$$
D01EBV
  -OEChem-10101305022D

 85 89  0     1  0  0  0  0  0999 V2000
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 21  1  1  6  0  0  0
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 24  2  1  6  0  0  0
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 18 32  1  1  0  0  0
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 25 61  1  0  0  0  0
 25 62  1  0  0  0  0
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 26 33  1  1  0  0  0
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 27 31  1  0  0  0  0
 27 64  1  0  0  0  0
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 28 34  1  6  0  0  0
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 29 67  1  0  0  0  0
 29 71  1  0  0  0  0
 29 72  1  0  0  0  0
 30 68  1  0  0  0  0
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 33 77  1  0  0  0  0
 34 80  1  0  0  0  0
 34 81  1  0  0  0  0
 34 82  1  0  0  0  0
 35 83  1  0  0  0  0
 35 84  1  0  0  0  0
 35 85  1  0  0  0  0
M  END

$$$$
D01EBY
  -OEChem-10101305022D

 25 24  0     1  0  0  0  0  0999 V2000
    4.2690   -2.6900    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    1.8100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    3.3100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -1.1900    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    2.3100    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -2.6900    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    0.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    1.8100    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.2690   -0.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    2.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -2.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7320    2.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0000   -2.3800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  2  0  0  0  0
  2 11  1  0  0  0  0
  2 23  1  0  0  0  0
  3 11  2  0  0  0  0
  4 10  1  0  0  0  0
  4 12  1  0  0  0  0
  4 20  1  0  0  0  0
  9  5  1  6  0  0  0
  5 21  1  0  0  0  0
  5 22  1  0  0  0  0
  6 12  1  0  0  0  0
  6 24  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 13  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
  8 16  1  0  0  0  0
  9 11  1  0  0  0  0
  9 17  1  0  0  0  0
 10 18  1  0  0  0  0
 10 19  1  0  0  0  0
M  END

$$$$
D01ECL
  -OEChem-10101305022D

 22 23  0     0  0  0  0  0  0999 V2000
    3.4945   -2.1012    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0000   -1.1307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1753    0.6012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1753    1.6012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  4  1  0  0  0  0
  1  6  1  0  0  0  0
  2  4  2  0  0  0  0
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 10 11  2  0  0  0  0
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 11 13  1  0  0  0  0
 11 21  1  0  0  0  0
 12 14  3  0  0  0  0
 13 22  1  0  0  0  0
M  END

$$$$
D01EDA
  -OEChem-10101305022D

142144  0     1  0  0  0  0  0999 V2000
   12.0632    1.5600    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   12.9292    2.0600    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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   16.3933   -2.9400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   15.5273    0.5600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   19.8574   -2.9400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 71142  1  0  0  0  0
M  END

$$$$
D01EDB
  -OEChem-04152110142D

 34 35  0     0  0  0  0  0  0999 V2000
    6.9010    4.3346    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8900    4.5437    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END

$$$$
D01EEM
  -OEChem-10101305032D

 32 33  0     0  0  0  0  0  0999 V2000
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 20 29  1  0  0  0  0
M  END

$$$$
D01EFQ
  -OEChem-10101305022D

 48 49  0     0  0  0  0  0  0999 V2000
    4.5981    2.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    5.4641   -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
    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
    5.4641    2.5000    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
    7.1962    2.5000    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
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    8.9282    2.5000    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
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    9.4651    2.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6182    3.0369    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 16  1  0  0  0  0
  2 41  1  0  0  0  0
  3 20  1  0  0  0  0
  3 23  1  0  0  0  0
  4 21  1  0  0  0  0
  4 24  1  0  0  0  0
  5 19  1  0  0  0  0
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  6 19  2  0  0  0  0
  6 21  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 25  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 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  2  0  0  0  0
 12 15  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 16  1  0  0  0  0
 14 38  1  0  0  0  0
 15 17  2  0  0  0  0
 15 39  1  0  0  0  0
 16 18  2  0  0  0  0
 17 18  1  0  0  0  0
 17 40  1  0  0  0  0
 20 22  1  0  0  0  0
 21 22  2  0  0  0  0
 22 42  1  0  0  0  0
 23 43  1  0  0  0  0
 23 44  1  0  0  0  0
 23 45  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
M  END

$$$$
D01EGN
  -OEChem-04152110112D

 42 45  0     0  0  0  0  0  0999 V2000
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    7.7331   -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
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    6.8671    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
    8.5991   -1.7500    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
    6.0010    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
    4.2690   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991   -2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651   -1.2500    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
    7.7331    2.7500    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
    3.4030   -2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651   -3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3312   -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
   10.3312   -2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2700    0.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2700    1.4400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.4400    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
    4.2690   -0.6300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -3.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651   -0.6300    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
    8.2700    3.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    3.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651   -3.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8681   -1.4400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    3.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8681   -3.0600    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 21  1  0  0  0  0
  1 42  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  2  0  0  0  0
  3  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  6  2  0  0  0  0
  4  9  1  0  0  0  0
  5  7  1  0  0  0  0
  5 10  1  0  0  0  0
  6 26  1  0  0  0  0
  7 27  1  0  0  0  0
  8 11  2  0  0  0  0
  8 12  1  0  0  0  0
  9 13  2  0  0  0  0
  9 14  1  0  0  0  0
 10 15  2  0  0  0  0
 10 16  1  0  0  0  0
 11 19  1  0  0  0  0
 11 28  1  0  0  0  0
 12 20  2  0  0  0  0
 12 29  1  0  0  0  0
 13 17  1  0  0  0  0
 13 30  1  0  0  0  0
 14 18  2  0  0  0  0
 14 31  1  0  0  0  0
 15 22  1  0  0  0  0
 15 32  1  0  0  0  0
 16 23  2  0  0  0  0
 16 33  1  0  0  0  0
 17 21  2  0  0  0  0
 17 34  1  0  0  0  0
 18 21  1  0  0  0  0
 18 35  1  0  0  0  0
 19 24  2  0  0  0  0
 19 36  1  0  0  0  0
 20 24  1  0  0  0  0
 20 37  1  0  0  0  0
 22 25  2  0  0  0  0
 22 38  1  0  0  0  0
 23 25  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
M  END

$$$$
D01EHP
  -OEChem-10101305022D

 31 33  0     0  0  0  0  0  0999 V2000
    4.4487    1.0264    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2610   -1.7783    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5827   -0.4736    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2610   -0.1689    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4487   -1.9736    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5827    1.5264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4782    2.5209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6691    1.1197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.8628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5000    2.7288    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4487    0.0264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3147   -0.4736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3147   -1.4736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8446   -0.9736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5827   -1.4736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5716   -2.7288    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1026    1.8641    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0982    2.5209    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5430    3.1375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1675    0.7552    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9791    0.5827    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6916    3.3185    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9336    2.9810    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4984    2.2272    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5851    1.4021    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9856    1.3364    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4646   -0.9736    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0457   -1.7836    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9823   -2.9214    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7642   -3.3182    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1609   -2.5362    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
  1 26  1  0  0  0  0
  2 13  1  0  0  0  0
  2 14  1  0  0  0  0
  2 16  1  0  0  0  0
  3 11  1  0  0  0  0
  3 15  2  0  0  0  0
  4 12  1  0  0  0  0
  4 14  2  0  0  0  0
  5 13  2  0  0  0  0
  5 15  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6 17  1  0  0  0  0
  7 10  1  0  0  0  0
  7 18  1  0  0  0  0
  7 19  1  0  0  0  0
  8  9  1  0  0  0  0
  8 20  1  0  0  0  0
  8 21  1  0  0  0  0
  9 10  1  0  0  0  0
  9 24  1  0  0  0  0
  9 25  1  0  0  0  0
 10 22  1  0  0  0  0
 10 23  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 14 27  1  0  0  0  0
 15 28  1  0  0  0  0
 16 29  1  0  0  0  0
 16 30  1  0  0  0  0
 16 31  1  0  0  0  0
M  END

$$$$
D01EHS
  -OEChem-10101305022D

 21 21  0     1  0  0  0  0  0999 V2000
    4.7599    1.0462    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.2599   -1.1445    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5771   -1.3341    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7599    1.0462    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.1364    0.2643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3834    0.2643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3590   -0.7106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3261    1.9472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1609   -0.7106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0898    1.5712    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7499    0.7491    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5779   -0.0047    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9420   -0.0047    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7700    0.7491    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2989   -1.3150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7809   -0.7106    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8847    2.2162    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0570    2.5058    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7675    1.6781    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6696   -1.9472    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.1076    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  2  0  0  0  0
  2  9  1  0  0  0  0
  3  7  1  0  0  0  0
  3 20  1  0  0  0  0
  3 21  1  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
  5 11  1  0  0  0  0
  5 12  1  0  0  0  0
  6  9  1  0  0  0  0
  6 13  1  0  0  0  0
  6 14  1  0  0  0  0
  8 17  1  0  0  0  0
  8 18  1  0  0  0  0
  8 19  1  0  0  0  0
  9 15  1  0  0  0  0
  9 16  1  0  0  0  0
M  END

$$$$
D01EIS
  -OEChem-10101305022D

 42 44  0     1  0  0  0  0  0999 V2000
    4.5981    0.9400    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.9400    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.0600    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.7320    1.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.4400    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
    3.7320    2.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    2.4400    0.0000 C   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
    5.4641   -1.5600    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
    3.7320   -1.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -2.0600    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
    2.8660   -2.0600    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
    4.5981   -3.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -3.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -3.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    0.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1215    1.5477    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5200    0.8574    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6762    0.8574    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0747    1.5477    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0747   -0.6677    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6762    0.0226    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5200    3.0226    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1215    2.3323    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0747    2.3323    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6762    3.0226    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    3.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    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
    4.0611   -1.7500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -1.7500    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
    2.8660   -2.6800    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
    4.0611   -3.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -3.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -4.1800    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  1  0  0  0  0
  2  7  1  0  0  0  0
  2  8  1  0  0  0  0
  2 32  1  0  0  0  0
  3  6  1  0  0  0  0
  3  9  1  0  0  0  0
  3 21  1  0  0  0  0
  4  7  1  0  0  0  0
  4 22  1  0  0  0  0
  4 23  1  0  0  0  0
  5  8  1  0  0  0  0
  5 24  1  0  0  0  0
  5 25  1  0  0  0  0
  6 10  1  0  0  0  0
  6 26  1  0  0  0  0
  6 27  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 11  2  0  0  0  0
  9 12  1  0  0  0  0
 10 13  2  0  0  0  0
 10 14  1  0  0  0  0
 11 15  1  0  0  0  0
 11 33  1  0  0  0  0
 12 16  2  0  0  0  0
 12 34  1  0  0  0  0
 13 18  1  0  0  0  0
 13 35  1  0  0  0  0
 14 19  2  0  0  0  0
 14 36  1  0  0  0  0
 15 17  2  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 39  1  0  0  0  0
 18 20  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 42  1  0  0  0  0
M  END

$$$$
D01EJH
  -OEChem-10101305022D

 42 46  0     1  0  0  0  0  0999 V2000
    5.9065   -0.0969    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0505    1.9716    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7758   -0.3777    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4170    0.8073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4033    1.4363    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.7123    0.4853    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.6904    0.2774    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4092    1.4338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0724    2.1795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1028    0.4881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3596    1.0205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9970   -0.7181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0142   -0.9426    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7112   -0.1685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3816    0.8197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7276    2.2132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1190   -1.4069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0936    0.2563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3335   -1.9795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3930   -2.2132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7133    2.0049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3942    1.0198    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8647   -2.0732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0689   -1.0943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0565    2.2124    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8879   -0.3464    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3046    2.7543    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5466    2.5080    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5768   -1.1741    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7912    1.2852    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9255    2.8008    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9094   -0.3357    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9133   -2.4354    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5823   -2.8036    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2998    2.4669    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4517   -2.5356    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.3271   -2.4863    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.2778   -1.6108    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.2627   -1.6832    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.6578   -0.9004    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8750   -0.5053    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.2661    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1 10  1  0  0  0  0
  2  9  1  0  0  0  0
  2 11  1  0  0  0  0
  3 14  1  0  0  0  0
  3 17  1  0  0  0  0
  4 22  1  0  0  0  0
  4 42  1  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  5  9  1  0  0  0  0
  5 25  1  1  0  0  0
  6  7  1  0  0  0  0
  6 26  1  1  0  0  0
  7 11  2  0  0  0  0
  7 12  1  0  0  0  0
  8 10  2  0  0  0  0
  8 16  1  0  0  0  0
  9 27  1  0  0  0  0
  9 28  1  0  0  0  0
 10 18  1  0  0  0  0
 11 15  1  0  0  0  0
 12 13  2  0  0  0  0
 12 29  1  0  0  0  0
 13 14  1  0  0  0  0
 13 19  1  0  0  0  0
 14 15  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 20  1  0  0  0  0
 17 23  1  0  0  0  0
 17 24  1  0  0  0  0
 18 22  2  0  0  0  0
 18 32  1  0  0  0  0
 19 20  2  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
 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
M  END

$$$$
D01ENA
  BIDD-NUS20110812001D

 10  9  0     0  0            999 V2000
    0.0000    0.0000    0.0000 Fe  0  0  0  0  0  0           0  0  0
    0.8292    0.0000    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.4208   -0.7042    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.4208    0.7208    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.8333    0.0000    0.0000 N   0  0  0  0  0  0           0  0  0
    0.4042   -0.7167    0.0000 N   0  0  0  0  0  0           0  0  0
    0.4042    0.7208    0.0000 N   0  0  0  0  0  0           0  0  0
    1.6542    0.0000    0.0000 N   0  0  0  0  0  0           0  0  0
   -0.8333   -1.4292    0.0000 N   0  0  0  0  0  0           0  0  0
   -0.8333    1.4333    0.0000 N   0  0  0  0  0  0           0  0  0
  2  1  1  0     0  0
  3  1  1  0     0  0
  4  1  1  0     0  0
  5  1  3  0     0  0
  6  1  3  0     0  0
  7  1  3  0     0  0
  8  2  3  0     0  0
  9  3  3  0     0  0
 10  4  3  0     0  0
M  CHG  1   1  -4
M  ENDM  END

$$$$
D01ENO
  -OEChem-10191522352D

 71 70  0     1  0  0  0  0  0999 V2000
   11.5263    0.0000    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
    9.7942    0.0000    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
   18.9545   -0.8660    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.7224    1.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.3923   -0.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.0526    0.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.1865   -1.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603    0.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0263    0.8660    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0263   -0.8660    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282   -0.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2942    0.8660    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2942   -0.8660    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.4545    0.0000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   17.5885   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7224    0.0000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   15.8564   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9904    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3205    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.9545    0.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1244   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2583    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.1865    0.0000    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
    7.1962   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    0.0000    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
    6.3301    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.0000    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    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1899   -0.9749    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.9870   -0.9749    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.9863    0.4250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.4579   -0.9749    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.2549   -0.9749    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.3889    0.4749    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.5919    0.4749    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.7190    0.9749    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.9220    0.9749    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.4914    1.1760    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.6445    1.4030    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.4175    0.5560    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.7258   -0.9749    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.5229   -0.9749    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.6445   -1.4030    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.2594    1.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.6569    0.4749    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.8598    0.4749    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.5895    0.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0656   -0.9749    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8626   -0.9749    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9966    0.4749    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1996    0.4749    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7163    1.4030    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -1.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4607    0.4749    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6636    0.4749    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    6.3301    1.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7101    1.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4860    1.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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 11 28  1  0  0  0  0
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 27 58  1  0  0  0  0
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 29 31  2  0  0  0  0
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 31 32  1  0  0  0  0
 31 33  1  0  0  0  0
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 32 70  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

$$$$
D01ENR
  -OEChem-10101305022D

 45 47  0     0  0  0  0  0  0999 V2000
    2.0000   -2.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    7.1962   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.0622    0.5000    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
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    9.7942    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.6603    1.0000    0.0000 C   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
   10.6603    2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.1972    0.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  2 10  1  0  0  0  0
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 10 11  1  0  0  0  0
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 13 18  2  0  0  0  0
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 14 37  1  0  0  0  0
 15 17  1  0  0  0  0
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 17 40  1  0  0  0  0
 18 20  1  0  0  0  0
 18 41  1  0  0  0  0
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 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
 22 45  1  0  0  0  0
M  END

$$$$
D01EOQ
  -OEChem-10191522012D

 58 61  0     1  0  0  0  0  0999 V2000
    2.0000   -5.2500    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    4.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    7.1962   -0.2500    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
    6.3301   -1.7500    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.4641    0.7500    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
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    4.5981    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7320    2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 18 23  2  0  0  0  0
 18 40  1  0  0  0  0
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 20 26  1  0  0  0  0
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 22 25  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 29  2  0  0  0  0
 24 30  1  0  0  0  0
 25 49  1  0  0  0  0
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 27 50  1  0  0  0  0
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 29 31  1  0  0  0  0
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 30 32  2  0  0  0  0
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 31 33  2  0  0  0  0
 31 54  1  0  0  0  0
 32 33  1  0  0  0  0
 32 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

$$$$
D01EOU
  -OEChem-10101305032D

 49 51  0     1  0  0  0  0  0999 V2000
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    5.4641    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1 22  1  0  0  0  0
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  2 24  1  0  0  0  0
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  9 33  1  0  0  0  0
 10 34  1  0  0  0  0
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 17 40  1  0  0  0  0
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 22 25  2  0  0  0  0
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 23 45  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 49  1  0  0  0  0
M  END

$$$$
D01EPO
          09010700062D 1   1.00000     0.00000     0

 14 15  0     0  0            999 V2000
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   -2.4818    2.0358    0.0000 N   0  0  3  0  0  0           0  0  0
   -1.8738    2.3938    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.2561    2.0464    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.2475    1.3388    0.0000 O   0  0  0  0  0  0           0  0  0
   -1.8601    0.9765    0.0000 C   0  0  0  0  0  0           0  0  0
   -3.7005    2.0292    0.0000 O   0  0  0  0  0  0           0  0  0
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  7  8  1  0     0  0
  1  2  1  0     0  0
  1  6  1  0     0  0
  2  3  1  0     0  0
  7 12  1  0     0  0
  8  9  1  0     0  0
  9 10  1  0     0  0
 10 11  1  0     0  0
 11 12  1  0     0  0
  5  7  1  0     0  0
  3  4  1  0     0  0
  6 13  2  0     0  0
  4  5  2  0     0  0
  8 14  1  0     0  0
  5  6  1  0     0  0
M  END

$$$$
D01EPU
  -OEChem-10101305032D

 52 56  0     1  0  0  0  0  0999 V2000
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  1 22  1  0  0  0  0
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  2  5  1  0  0  0  0
  2 10  1  0  0  0  0
  2 15  1  0  0  0  0
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  3  6  1  0  0  0  0
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  3  9  1  0  0  0  0
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 10 32  1  0  0  0  0
 10 33  1  0  0  0  0
 11 14  1  0  0  0  0
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 12 13  1  0  0  0  0
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 13 38  1  0  0  0  0
 13 39  1  0  0  0  0
 14 21  1  0  0  0  0
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 16 42  1  0  0  0  0
 17 20  1  0  0  0  0
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 18 20  1  0  0  0  0
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 19 22  2  0  0  0  0
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 21 23  2  0  0  0  0
 21 50  1  0  0  0  0
 22 23  1  0  0  0  0
 23 51  1  0  0  0  0
M  END

$$$$
D01EQU
  -OEChem-10101305022D

197206  0     1  0  0  0  0  0999 V2000
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 87182  1  0  0  0  0
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 89184  1  0  0  0  0
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 90185  1  0  0  0  0
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 91187  1  0  0  0  0
 92188  1  0  0  0  0
 92189  1  0  0  0  0
 93190  1  0  0  0  0
 93191  1  0  0  0  0
 93192  1  0  0  0  0
M  END

$$$$
D01ERB
  -OEChem-10101305022D

 54 58  0     1  0  0  0  0  0999 V2000
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   11.9586   -2.2406    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  2 23  1  0  0  0  0
  2 52  1  0  0  0  0
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 17 20  1  0  0  0  0
 18 22  1  0  0  0  0
 18 46  1  0  0  0  0
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 20 23  2  0  0  0  0
 20 48  1  0  0  0  0
 21 23  1  0  0  0  0
 21 49  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 50  1  0  0  0  0
 25 27  2  0  0  0  0
 25 51  1  0  0  0  0
 26 53  1  0  0  0  0
 27 54  1  0  0  0  0
M  END

$$$$
D01ERW
  -OEChem-10191521462D

 42 46  0     0  0  0  0  0  0999 V2000
    4.1701    0.7143    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   10.4212    1.9788    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6941    0.2236    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    2.5878    0.0098    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.6941    0.2236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5602   -0.2764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.6479   -0.8904    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1 24  1  0  0  0  0
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  3  8  1  0  0  0  0
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 10 28  1  0  0  0  0
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 11 32  1  0  0  0  0
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 23 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

$$$$
D01ESN
  -OEChem-10101305022D

154161  0     1  0  0  0  0  0999 V2000
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    8.6919    6.0627    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4374   -4.3354    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END

$$$$
D01EST
  -OEChem-10191522362D

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 12 15  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 16  2  0  0  0  0
 14 25  1  0  0  0  0
 15 16  1  0  0  0  0
 16 26  1  0  0  0  0
 17 20  1  0  0  0  0
 17 27  1  0  0  0  0
 18 19  2  0  0  0  0
 18 28  1  0  0  0  0
 19 21  1  0  0  0  0
 20 21  2  0  0  0  0
M  END

$$$$
D01ESV
  -OEChem-10101305022D

 30 31  0     0  0  0  0  0  0999 V2000
    3.7320    4.9050    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.7320    3.9050    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.7320    3.9050    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.0950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.0950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -4.5950    0.0000 N   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
    3.7320    2.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.4050    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
    4.5981    2.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    2.4050    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
    4.5981   -0.5950    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
    4.5981   -1.5950    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
    3.7320    3.9050    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
    5.1350    1.0950    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291    1.0950    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    2.7150    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
    2.3291   -0.2850    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
    2.3291   -1.9050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -1.9050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -4.9050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -4.9050    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 18  1  0  0  0  0
  4 20  1  0  0  0  0
  5 20  2  0  0  0  0
  6 20  1  0  0  0  0
  6 29  1  0  0  0  0
  6 30  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 14  2  0  0  0  0
  8 15  1  0  0  0  0
  9 12  2  0  0  0  0
  9 13  1  0  0  0  0
  9 19  1  0  0  0  0
 10 12  1  0  0  0  0
 10 21  1  0  0  0  0
 11 13  2  0  0  0  0
 11 22  1  0  0  0  0
 12 23  1  0  0  0  0
 13 24  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 27  1  0  0  0  0
 17 18  1  0  0  0  0
 17 28  1  0  0  0  0
M  END

$$$$
D01ETL
  -OEChem-10191521322D

 50 52  0     1  0  0  0  0  0999 V2000
    7.1962    1.7500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942    1.2500    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    9.4282    2.6160    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.4282    0.8840    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.6962    0.8840    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6962    2.6160    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.7500    0.0000 O   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
    6.3301    1.2500    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    4.5981    4.2500    0.0000 N   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    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    2.2500    0.0000 C   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   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -0.2500    0.0000 C   0  0  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
    5.4641   -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
    6.3301    3.2500    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
    4.5981    3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    4.2500    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
    5.4641    4.7500    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
    5.4641   -3.2500    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
    5.4641   -4.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -4.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.2500    0.0000 C   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
    8.4607    2.7250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6636    2.7250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9272    0.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    0.0600    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
    6.8671    2.9400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -2.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0611    2.9400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    4.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    5.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -2.9400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951   -4.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -4.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -5.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -2.7131    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -3.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   -3.7869    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  9  1  0  0  0  0
  1 13  1  0  0  0  0
  2 17  1  0  0  0  0
  3 17  1  0  0  0  0
  4 17  1  0  0  0  0
  7 18  1  0  0  0  0
  7 24  1  0  0  0  0
  8 26  1  0  0  0  0
  8 31  1  0  0  0  0
  9 11  1  0  0  0  0
  9 12  1  0  0  0  0
 10 22  1  0  0  0  0
 10 25  2  0  0  0  0
 11 14  1  0  0  0  0
 11 32  1  0  0  0  0
 11 33  1  0  0  0  0
 12 15  2  0  0  0  0
 12 16  1  0  0  0  0
 13 17  1  0  0  0  0
 13 34  1  0  0  0  0
 13 35  1  0  0  0  0
 14 20  1  0  0  0  0
 14 22  2  0  0  0  0
 15 18  1  0  0  0  0
 15 36  1  0  0  0  0
 16 19  2  0  0  0  0
 16 37  1  0  0  0  0
 18 21  2  0  0  0  0
 19 21  1  0  0  0  0
 19 38  1  0  0  0  0
 20 23  2  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 25  1  0  0  0  0
 23 42  1  0  0  0  0
 24 26  1  0  0  0  0
 24 27  2  0  0  0  0
 25 43  1  0  0  0  0
 26 28  2  0  0  0  0
 27 29  1  0  0  0  0
 27 44  1  0  0  0  0
 28 30  1  0  0  0  0
 28 45  1  0  0  0  0
 29 30  2  0  0  0  0
 29 46  1  0  0  0  0
 30 47  1  0  0  0  0
 31 48  1  0  0  0  0
 31 49  1  0  0  0  0
 31 50  1  0  0  0  0
M  END

$$$$
D01ETZ
  -OEChem-10111523572D

 45 48  0     1  0  0  0  0  0999 V2000
    9.1493    1.8120    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.1314    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3931    0.9209    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.3931   -0.0791    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.3393    1.2257    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.5271   -0.5791    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.3393   -0.3838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9229    0.4209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6610   -0.0791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5271    1.4209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5431   -1.6206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3931    1.9209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0319    2.1772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6610    0.9209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7510   -0.5859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6451   -2.1483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7430   -1.6275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8242   -0.0218    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8076   -2.1772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8763   -0.5498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8680   -1.6348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4830   -0.9243    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2664   -0.9984    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0883   -0.9507    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8767   -0.6930    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    9.3838    0.8357    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5271    2.0409    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7612   -2.2010    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    8.0131    1.9209    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3931    2.5409    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    8.6219    2.3678    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    7.4420    1.9867    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  5  1  1  1  0  0  0
  1 40  1  0  0  0  0
  2 21  2  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3 10  1  0  0  0  0
  3 12  1  1  0  0  0
  4  6  1  0  0  0  0
  4  7  1  0  0  0  0
  4 22  1  6  0  0  0
  5  8  1  0  0  0  0
  5 13  1  0  0  0  0
  6  9  1  0  0  0  0
  6 11  1  0  0  0  0
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  8 26  1  0  0  0  0
  8 27  1  0  0  0  0
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  9 15  2  0  0  0  0
 10 14  2  0  0  0  0
 10 28  1  0  0  0  0
 11 16  1  0  0  0  0
 11 29  1  0  0  0  0
 11 30  1  0  0  0  0
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 12 33  1  0  0  0  0
 13 34  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
 15 17  1  0  0  0  0
 15 18  1  0  0  0  0
 16 17  1  0  0  0  0
 16 38  1  0  0  0  0
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 17 19  2  0  0  0  0
 18 20  1  0  0  0  0
 18 41  1  0  0  0  0
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 19 21  1  0  0  0  0
 19 43  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
M  END

$$$$
D01EVA
  -OEChem-10191522022D

 31 33  0     1  0  0  0  0  0999 V2000
    6.0010    0.2154    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -1.7846    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -0.2846    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    1.2154    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    1.7154    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -0.2846    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.2690    0.2154    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.2687   -0.7851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    1.2154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -0.7846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    1.7154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    1.2154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1190    2.7569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9110    1.7222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0170    3.2846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9191    2.7638    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -2.2846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -3.2846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6490    0.2154    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6581   -0.8927    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4808   -1.3677    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5785    3.0606    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4444    1.4060    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0146    3.9046    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4572    3.0717    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   -1.7020    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.5254    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2471   -3.2846    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -3.9046    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4871   -3.2846    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  1  0  0  0  0
  2 17  1  0  0  0  0
  3 10  2  0  0  0  0
  4  5  1  0  0  0  0
  4 28  1  0  0  0  0
  5  9  2  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6 10  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
  8 20  1  0  0  0  0
  8 21  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  2  0  0  0  0
 12 14  2  0  0  0  0
 13 15  1  0  0  0  0
 13 22  1  0  0  0  0
 14 16  1  0  0  0  0
 14 23  1  0  0  0  0
 15 16  2  0  0  0  0
 15 24  1  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
 17 27  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
M  END

$$$$
D01EVE
  -OEChem-10191522002D

 29 31  0     0  0  0  0  0  0999 V2000
    2.5369    2.8100    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    0.8100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0812   -0.3853    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -0.6900    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0812   -1.9947    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -2.1900    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -2.1900    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -0.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -0.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -1.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    1.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    1.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    2.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6648   -1.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -1.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    2.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    2.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    1.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2738    0.2041    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6720    2.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2848   -1.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    3.4300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -2.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.8800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1771    0.7731    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4040    1.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5571    1.8469    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 17  1  0  0  0  0
  2 12  1  0  0  0  0
  2 19  1  0  0  0  0
  3  9  1  0  0  0  0
  3 15  1  0  0  0  0
  3 20  1  0  0  0  0
  4  8  1  0  0  0  0
  4 16  2  0  0  0  0
  5 11  1  0  0  0  0
  5 15  2  0  0  0  0
  6 11  2  0  0  0  0
  6 16  1  0  0  0  0
  7 16  1  0  0  0  0
  7 25  1  0  0  0  0
  7 26  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
  9 11  1  0  0  0  0
 10 12  2  0  0  0  0
 10 13  1  0  0  0  0
 12 14  1  0  0  0  0
 13 17  2  0  0  0  0
 13 21  1  0  0  0  0
 14 18  2  0  0  0  0
 14 22  1  0  0  0  0
 15 23  1  0  0  0  0
 17 18  1  0  0  0  0
 18 24  1  0  0  0  0
 19 27  1  0  0  0  0
 19 28  1  0  0  0  0
 19 29  1  0  0  0  0
M  END

$$$$
D01EVI
  -OEChem-10101305032D

 24 23  0     1  0  0  0  0  0999 V2000
    3.7690   -0.0390    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -0.4050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -0.9050    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
    3.4030   -2.4050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    2.0950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    0.5950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -0.4050    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.2690   -0.9050    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.1350    0.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7690   -1.7710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -0.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -1.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    1.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -1.0250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9230    1.1776    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5244    0.4873    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2320   -2.0810    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0790   -2.3080    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3059   -1.4610    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1490   -0.0390    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4040   -0.7150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.2150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5380    2.4050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  9  1  1  1  0  0  0
  1 21  1  0  0  0  0
  2 12  1  0  0  0  0
  2 22  1  0  0  0  0
  3 13  1  0  0  0  0
  3 23  1  0  0  0  0
  4 12  2  0  0  0  0
  5 13  2  0  0  0  0
  6 14  1  0  0  0  0
  6 24  1  0  0  0  0
  7 14  2  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  1  0  0  0
  8 12  1  0  0  0  0
  8 15  1  0  0  0  0
  9 11  1  0  0  0  0
  9 13  1  0  0  0  0
 10 14  1  0  0  0  0
 10 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
M  END

$$$$
D01EVX
  -OEChem-04152110152D

 20 21  0     0  0  0  0  0  0999 V2000
    2.9176   -1.5346    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.6660   -1.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321   -0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660    1.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9061   -0.5347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9061    1.5346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0690   -0.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9132    2.1546    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4643   -0.3329    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4643    1.3328    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7081    0.9630    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9350    1.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0881    2.0369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  2  7  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  3 14  1  0  0  0  0
  4  6  1  0  0  0  0
  4  8  2  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  5  9  1  0  0  0  0
  6 10  1  0  0  0  0
  8 13  1  0  0  0  0
  9 11  2  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  1  0  0  0  0
 12 17  1  0  0  0  0
 13 18  1  0  0  0  0
 13 19  1  0  0  0  0
 13 20  1  0  0  0  0
M  END

$$$$
D01EWD
  -OEChem-10101305032D

 40 40  0     0  0  0  0  0  0999 V2000
    8.0622   -0.2500    0.0000 Se  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
   11.5263    0.7500    0.0000 O   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
    5.4641   -0.7500    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   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282   -0.7500    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
    8.9282   -1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942   -2.2500    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
   10.6603    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9966    0.2249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1996    0.2249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0656   -1.2250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8626   -1.2250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3335   -1.2250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1306   -1.2250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7287    0.2249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9316    0.2249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2646    0.2249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4675    0.2249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7976   -1.2250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5947   -1.2250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -0.2131    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -1.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   -1.2869    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3913   -2.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1972   -0.4400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942   -2.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1972   -2.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2803    2.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603    2.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0403    2.2500    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
  2 12  1  0  0  0  0
  2 17  1  0  0  0  0
  3 17  2  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4 19  1  0  0  0  0
  4 20  1  0  0  0  0
  5  7  1  0  0  0  0
  5 21  1  0  0  0  0
  5 22  1  0  0  0  0
  6  8  1  0  0  0  0
  6 23  1  0  0  0  0
  6 24  1  0  0  0  0
  7  9  1  0  0  0  0
  7 25  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 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
 10 33  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  2  0  0  0  0
 12 14  2  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
 15 16  2  0  0  0  0
 15 36  1  0  0  0  0
 16 37  1  0  0  0  0
 17 18  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
M  END

$$$$
D01EZC
  -OEChem-10101305022D

 54 57  0     1  0  0  0  0  0999 V2000
    8.1962   -1.4987    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660   -1.4746    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660    1.5254    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.5282   -1.0154    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
   10.7961   -1.0087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6602   -1.5121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9282   -1.5054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3923   -1.5188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0641   -1.0021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5320   -0.0154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   15.9961   -0.0288    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.3995   -0.5323    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1  9  1  0  0  0  0
  1 12  1  0  0  0  0
  2 14  1  0  0  0  0
  2 22  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 10  1  0  0  0  0
  5  6  1  0  0  0  0
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  5 30  1  0  0  0  0
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  6 32  1  0  0  0  0
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  7 35  1  0  0  0  0
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  8 36  1  0  0  0  0
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 10 40  1  0  0  0  0
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 11 18  2  0  0  0  0
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 12 15  2  0  0  0  0
 12 20  1  0  0  0  0
 13 14  2  0  0  0  0
 13 17  1  0  0  0  0
 13 21  1  0  0  0  0
 14 15  1  0  0  0  0
 15 43  1  0  0  0  0
 16 17  1  0  0  0  0
 16 22  1  0  0  0  0
 16 23  2  0  0  0  0
 18 24  1  0  0  0  0
 18 45  1  0  0  0  0
 19 25  2  0  0  0  0
 19 46  1  0  0  0  0
 20 21  2  0  0  0  0
 20 44  1  0  0  0  0
 21 47  1  0  0  0  0
 22 26  2  0  0  0  0
 23 28  1  0  0  0  0
 23 48  1  0  0  0  0
 24 27  2  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 29  1  0  0  0  0
 26 51  1  0  0  0  0
 27 52  1  0  0  0  0
 28 29  2  0  0  0  0
 28 53  1  0  0  0  0
 29 54  1  0  0  0  0
M  END

$$$$
D01FAA
  -OEChem-10101305022D

 29 31  0     1  0  0  0  0  0999 V2000
    6.7204   -1.4977    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.6418   -3.6115    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3994    0.4743    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    5.1408   -2.3104    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    4.4438    1.9784    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0702    3.1136    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4032   -0.3908    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.1881   -1.0104    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.4294   -0.6181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1 17  1  0  0  0  0
  2 16  2  0  0  0  0
  3 18  2  0  0  0  0
  4 13  1  0  0  0  0
  4 16  1  0  0  0  0
  4 27  1  0  0  0  0
  5 12  2  0  0  0  0
  5 17  1  0  0  0  0
  6 14  2  0  0  0  0
  6 19  1  0  0  0  0
  7 18  1  0  0  0  0
  7 19  2  0  0  0  0
  8 19  1  0  0  0  0
  8 28  1  0  0  0  0
  8 29  1  0  0  0  0
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  9 11  1  0  0  0  0
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  9 20  1  0  0  0  0
 10 12  1  0  0  0  0
 10 15  1  0  0  0  0
 10 21  1  0  0  0  0
 11 13  1  0  0  0  0
 11 22  1  0  0  0  0
 11 23  1  0  0  0  0
 12 16  1  0  0  0  0
 13 24  1  0  0  0  0
 13 25  1  0  0  0  0
 14 18  1  0  0  0  0
 15 17  2  0  0  0  0
 15 26  1  0  0  0  0
M  END

$$$$
D01FAR
  -OEChem-10191522332D

  6  5  0     0  0  0  0  0  0999 V2000
    2.0000    0.2500    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.2500    0.0000 O   0  5  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
    3.7320    1.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  5  2  0  0  0  0
  4  6  2  0  0  0  0
  5  6  1  0  0  0  0
M  CHG  2   1  -1   2  -1
M  END

$$$$
D01FBL
  -OEChem-10101305022D

 53 56  0     1  0  0  0  0  0999 V2000
    6.3782   -2.7666    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8837   -1.7960    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8712   -1.2594    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8712   -2.8689    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9511   -0.8995    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.5352    1.0568    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4609   -1.5642    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.5474   -1.1574    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    8.3269   -1.0642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.3884    0.1297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0590   -1.0642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1930   -2.5642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 10 32  1  0  0  0  0
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 14 16  2  0  0  0  0
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 16 38  1  0  0  0  0
 17 21  2  0  0  0  0
 17 39  1  0  0  0  0
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 18 40  1  0  0  0  0
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 20 22  2  0  0  0  0
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 26 43  1  0  0  0  0
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 27 45  1  0  0  0  0
 27 46  1  0  0  0  0
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 28 48  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
 29 53  1  0  0  0  0
M  END

$$$$
D01FCH
  -OEChem-10101305022D

 49 50  0     1  0  0  0  0  0999 V2000
    4.5981    3.1356    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.5981    3.1356    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5981    3.1356    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1013    5.0835    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END

$$$$
D01FDW
  -OEChem-10101305022D

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 71136  1  0  0  0  0
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 73 75  2  0  0  0  0
 73138  1  0  0  0  0
 74 75  1  0  0  0  0
 74139  1  0  0  0  0
M  END

$$$$
D01FEA
  -OEChem-10101305022D

 52 54  0     0  0  0  0  0  0999 V2000
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   10.7961    1.3860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 28 46  1  0  0  0  0
 28 47  1  0  0  0  0
 28 48  1  0  0  0  0
M  END

$$$$
D01FFX
  -OEChem-10101305022D

 37 39  0     0  0  0  0  0  0999 V2000
    6.0010   -0.2673    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -1.2673    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9349   -0.1002    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1  8  1  0  0  0  0
  1  9  1  0  0  0  0
  2  6  1  0  0  0  0
  2  7  1  0  0  0  0
  2 30  1  0  0  0  0
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 10 11  1  0  0  0  0
 10 31  1  0  0  0  0
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 11 15  2  0  0  0  0
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 13 14  1  0  0  0  0
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 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
M  END

$$$$
D01FGM
  -OEChem-10101305032D

 34 36  0     0  0  0  0  0  0999 V2000
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 22 32  1  0  0  0  0
 22 33  1  0  0  0  0
 22 34  1  0  0  0  0
M  END

$$$$
D01FGW
  -OEChem-10101305032D

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M  END

$$$$
D01FHK
  -OEChem-10101305022D

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 69129  1  0  0  0  0
 70 74  2  0  0  0  0
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 71 74  1  0  0  0  0
 71137  1  0  0  0  0
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 72138  1  0  0  0  0
 73 76  2  0  0  0  0
 73139  1  0  0  0  0
 75 77  2  0  0  0  0
 75143  1  0  0  0  0
 76 77  1  0  0  0  0
 76144  1  0  0  0  0
 77145  1  0  0  0  0
M  END

$$$$
D01FJB
  -OEChem-10101305032D

 33 35  0     1  0  0  0  0  0999 V2000
    4.2690    0.0600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0812   -1.1353    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -1.4400    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -2.9400    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0812   -2.7447    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -2.9400    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    2.5369    2.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    3.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    0.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    3.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.2690   -0.9400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.6648   -1.9400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1 11  1  0  0  0  0
  1 14  1  0  0  0  0
  2 15  1  0  0  0  0
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  3 14  2  0  0  0  0
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  6 33  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
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  8 10  1  0  0  0  0
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 10 13  1  0  0  0  0
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 13 29  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 18 31  1  0  0  0  0
M  END

$$$$
D01FJE
  -OEChem-10101305022D

 35 37  0     1  0  0  0  0  0999 V2000
    7.1962    0.9254    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -2.0746    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8660    2.4254    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7263    0.9495    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   11.2644    0.6416    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1  6  1  0  0  0  0
  1 11  1  0  0  0  0
  2 10  2  0  0  0  0
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  6  7  1  0  0  0  0
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  6 22  1  0  0  0  0
  7 10  1  0  0  0  0
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 11 15  2  0  0  0  0
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 13 18  1  0  0  0  0
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 18 20  2  0  0  0  0
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 19 30  1  0  0  0  0
 21 33  1  0  0  0  0
 21 34  1  0  0  0  0
 21 35  1  0  0  0  0
M  END

$$$$
D01FJQ
  -OEChem-10101305022D

162169  0     1  0  0  0  0  0999 V2000
   14.0493   -4.8956    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.1917   -3.5409    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.7924   -5.5647    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   15.5263    3.9591    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.7942    6.4591    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0622    3.9591    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3301    6.4591    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    5.4591    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    3.9591    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    8.4591    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.3551   -4.5355    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   13.3256   -2.0409    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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M  END

$$$$
D01FLQ
  -OEChem-10101305022D

 20 20  0     0  0  0  0  0  0999 V2000
    2.8660   -0.0600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    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
    4.5981   -0.0600    0.0000 C   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
    5.4641   -0.5600    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
    5.4641   -1.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.0600    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
    4.5981    0.9400    0.0000 B   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -0.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951   -1.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -1.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.6800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -0.0231    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -0.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   -1.0969    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    2.0600    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  5  1  0  0  0  0
  1 10  1  0  0  0  0
  2 11  1  0  0  0  0
  2 19  1  0  0  0  0
  3 11  1  0  0  0  0
  3 20  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  2  0  0  0  0
  4 11  1  0  0  0  0
  5  7  2  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 13  1  0  0  0  0
  8  9  2  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

$$$$
D01FMS
  -OEChem-10101305022D

 93 94  0     1  0  0  0  0  0999 V2000
   12.6104    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   11.6795    7.9631    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.5455    6.4631    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0814    6.4631    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2690    7.4645    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1350    2.9645    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.5369    4.4645    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5164   11.2480    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    4.0010    8.4645    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.9942    9.2995    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   15.2530   10.2654    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   16.8262    8.5407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0850    9.5066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4591    8.0563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6501    9.4576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6210   12.2425    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5455    8.4631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6029   11.6548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5345   12.6493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8119   12.8303    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6795    6.9631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8135    6.4631    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    9.9474    6.9631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8135    5.4631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9474    4.9631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6795    4.9631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9474    3.9631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6795    3.9631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8135    3.4631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8671    8.9645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0010    7.4645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7331    9.4645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3671    9.8305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3671    8.0985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1350    6.9645    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.1350    5.9645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2690    5.4645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0010    5.4645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2690    4.4645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0010    4.4645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1350    3.9645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    3.9645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7742    8.4784    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.4730   11.0864    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.6141    7.9581    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.4175    8.3542    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.6763    9.3202    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.2970   10.0892    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.1214    7.5364    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.9198    7.6415    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.5478   10.0691    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.0303    9.4387    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.1225   11.8781    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.5780    7.8439    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.8551   12.2212    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.0365   11.9069    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.3507   11.0884    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.7867   12.0829    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.1009   12.9015    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.2823   13.2157    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.1764   13.3319    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.3104   13.1948    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.4475   12.3287    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2765    6.1531    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3460    7.4380    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5489    7.4380    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4105    5.2731    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.2164    5.2731    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5445    6.7731    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4105    3.6531    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.2164    3.6531    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8135    2.8431    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4641    8.7745    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2131    6.8819    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6116    7.5721    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8301    7.7885    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9040   10.1405    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0571   10.3674    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8301    9.5205    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6771    7.5615    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9040    8.4085    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0431    8.9276    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2700    9.7745    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4231   10.0014    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5981    6.6545    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7320    5.7745    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5380    5.7745    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2690    8.0845    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5380    4.1545    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0044    3.4895    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8015    3.4895    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1545    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.6104    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 93  1  0  0  0  0
  2 17  1  0  0  0  0
  2 21  1  0  0  0  0
  3 21  2  0  0  0  0
  4 23  1  0  0  0  0
  4 69  1  0  0  0  0
 35  5  1  1  0  0  0
  5 88  1  0  0  0  0
  6 41  1  0  0  0  0
  7 42  1  0  0  0  0
  7 92  1  0  0  0  0
  8 10  1  0  0  0  0
  8 11  1  0  0  0  0
  8 16  1  0  0  0  0
  8 18  1  0  0  0  0
  9 30  1  0  0  0  0
  9 31  1  0  0  0  0
  9 73  1  0  0  0  0
 10 12  1  0  0  0  0
 10 14  1  0  0  0  0
 10 43  1  1  0  0  0
 11 13  1  0  0  0  0
 11 15  1  0  0  0  0
 11 44  1  6  0  0  0
 12 13  1  0  0  0  0
 12 45  1  0  0  0  0
 12 46  1  0  0  0  0
 13 47  1  0  0  0  0
 13 48  1  0  0  0  0
 14 17  1  0  0  0  0
 14 49  1  0  0  0  0
 14 50  1  0  0  0  0
 15 17  1  0  0  0  0
 15 51  1  0  0  0  0
 15 52  1  0  0  0  0
 16 19  1  0  0  0  0
 16 20  1  0  0  0  0
 16 53  1  0  0  0  0
 17 54  1  0  0  0  0
 18 55  1  0  0  0  0
 18 56  1  0  0  0  0
 18 57  1  0  0  0  0
 19 58  1  0  0  0  0
 19 59  1  0  0  0  0
 19 60  1  0  0  0  0
 20 61  1  0  0  0  0
 20 62  1  0  0  0  0
 20 63  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
 22 64  1  0  0  0  0
 23 65  1  0  0  0  0
 23 66  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 67  1  0  0  0  0
 26 28  2  0  0  0  0
 26 68  1  0  0  0  0
 27 29  2  0  0  0  0
 27 70  1  0  0  0  0
 28 29  1  0  0  0  0
 28 71  1  0  0  0  0
 29 72  1  0  0  0  0
 30 32  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 74  1  0  0  0  0
 31 75  1  0  0  0  0
 32 82  1  0  0  0  0
 32 83  1  0  0  0  0
 32 84  1  0  0  0  0
 33 77  1  0  0  0  0
 33 78  1  0  0  0  0
 33 79  1  0  0  0  0
 34 76  1  0  0  0  0
 34 80  1  0  0  0  0
 34 81  1  0  0  0  0
 35 36  1  0  0  0  0
 35 85  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 86  1  0  0  0  0
 38 40  2  0  0  0  0
 38 87  1  0  0  0  0
 39 41  2  0  0  0  0
 39 42  1  0  0  0  0
 40 41  1  0  0  0  0
 40 89  1  0  0  0  0
 42 90  1  0  0  0  0
 42 91  1  0  0  0  0
M  CHG  2   6  -1   8   1
M  END

$$$$
D01FNC
  -OEChem-10191521562D

 28 30  0     0  0  0  0  0  0999 V2000
    4.2690   -1.7363    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    2.2637    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0290   -0.7709    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -0.7363    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.6671   -0.2638    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    0.7637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -0.2363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9350   -0.2571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0290    1.2984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -0.7363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    1.2637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9350    0.7846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -0.2363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    0.7637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7991   -0.7604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7953   -1.7604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6594   -2.2637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5312   -0.7671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5273   -1.7671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0218    1.9184    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4708    1.0966    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.0737    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2571   -2.0683    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.4263    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -1.3563    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6570   -2.8837    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0693   -0.4592    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0630   -2.0792    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  2  0  0  0  0
  2 11  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4 13  1  0  0  0  0
  4 24  1  0  0  0  0
  4 25  1  0  0  0  0
  5 15  1  0  0  0  0
  5 18  2  0  0  0  0
  6  7  2  0  0  0  0
  6  9  1  0  0  0  0
  6 11  1  0  0  0  0
  7 10  1  0  0  0  0
  8 12  1  0  0  0  0
  8 15  1  0  0  0  0
  9 12  2  0  0  0  0
  9 20  1  0  0  0  0
 10 13  1  0  0  0  0
 11 14  1  0  0  0  0
 12 21  1  0  0  0  0
 13 14  2  0  0  0  0
 14 22  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 16 23  1  0  0  0  0
 17 19  2  0  0  0  0
 17 26  1  0  0  0  0
 18 19  1  0  0  0  0
 18 27  1  0  0  0  0
 19 28  1  0  0  0  0
M  END

$$$$
D01FNH
  -OEChem-10101305022D

 40 43  0     0  0  0  0  0  0999 V2000
    4.6660   -3.9827    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321   -0.4827    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    5.5321   -3.4827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000   -3.4827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.9061   -1.9480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  8  1  0  0  0  0
  1  9  1  0  0  0  0
  2 14  1  0  0  0  0
  2 19  1  0  0  0  0
  3 14  2  0  0  0  0
  4 22  1  0  0  0  0
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  5  7  1  0  0  0  0
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  6  9  1  0  0  0  0
  6 11  2  0  0  0  0
  7  8  1  0  0  0  0
  7 10  2  0  0  0  0
  8 12  2  0  0  0  0
  9 13  2  0  0  0  0
 10 16  1  0  0  0  0
 10 26  1  0  0  0  0
 11 15  1  0  0  0  0
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 12 28  1  0  0  0  0
 13 18  1  0  0  0  0
 13 29  1  0  0  0  0
 15 18  2  0  0  0  0
 15 31  1  0  0  0  0
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 16 30  1  0  0  0  0
 17 32  1  0  0  0  0
 18 33  1  0  0  0  0
 19 20  2  0  0  0  0
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 20 34  1  0  0  0  0
 21 24  2  0  0  0  0
 21 35  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 23 36  1  0  0  0  0
 24 37  1  0  0  0  0
 25 38  1  0  0  0  0
 25 39  1  0  0  0  0
 25 40  1  0  0  0  0
M  END

$$$$
D01FOK
  -OEChem-10101305032D

 32 33  0     0  0  0  0  0  0999 V2000
    7.2241    0.1980    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.2327    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -1.2673    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9942    0.2085    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.5981    0.7327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.7673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    2.2327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.7327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.2673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  6  1  0  0  0  0
  1 17  1  0  0  0  0
  2  8  1  0  0  0  0
  2 14  1  0  0  0  0
  3  9  2  0  0  0  0
  4 17  2  0  0  0  0
  5  6  1  0  0  0  0
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  5  9  1  0  0  0  0
  6  7  2  0  0  0  0
  7 10  1  0  0  0  0
  7 13  1  0  0  0  0
  8 11  1  0  0  0  0
  9 12  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 15  1  0  0  0  0
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 13 16  2  0  0  0  0
 13 23  1  0  0  0  0
 14 18  1  0  0  0  0
 14 24  1  0  0  0  0
 14 25  1  0  0  0  0
 15 26  1  0  0  0  0
 15 27  1  0  0  0  0
 15 28  1  0  0  0  0
 16 17  1  0  0  0  0
 16 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
M  END

$$$$
D01FOM
  -OEChem-10101305022D

 27 29  0     0  0  0  0  0  0999 V2000
    4.6783   -2.6147    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8660    2.1900    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8660   -2.8100    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7320    0.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1 12  1  0  0  0  0
  1 15  1  0  0  0  0
  2  6  1  0  0  0  0
  2  7  1  0  0  0  0
  2 10  1  0  0  0  0
  3  8  1  0  0  0  0
  3  9  1  0  0  0  0
  3 24  1  0  0  0  0
  4 10  1  0  0  0  0
  4 14  2  0  0  0  0
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  5 14  1  0  0  0  0
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  7  9  1  0  0  0  0
  7 18  1  0  0  0  0
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  8 20  1  0  0  0  0
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 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 13 15  2  0  0  0  0
 13 25  1  0  0  0  0
 14 27  1  0  0  0  0
 15 26  1  0  0  0  0
M  END

$$$$
D01FPD
  -OEChem-10101305022D

 64 67  0     1  0  0  0  0  0999 V2000
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  1 33  1  0  0  0  0
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 22  3  1  1  0  0  0
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 16 40  1  0  0  0  0
 17 23  1  0  0  0  0
 17 41  1  0  0  0  0
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 18 22  1  0  0  0  0
 19 22  1  0  0  0  0
 19 43  1  0  0  0  0
 19 44  1  0  0  0  0
 20 45  1  0  0  0  0
 20 46  1  0  0  0  0
 20 47  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
 23 26  1  6  0  0  0
 23 52  1  0  0  0  0
 26 28  1  0  0  0  0
 26 29  2  0  0  0  0
 27 53  1  0  0  0  0
 27 54  1  0  0  0  0
 28 31  2  0  0  0  0
 28 55  1  0  0  0  0
 29 56  1  0  0  0  0
 30 57  1  0  0  0  0
 30 58  1  0  0  0  0
 30 59  1  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
 32 62  1  0  0  0  0
 33 63  1  0  0  0  0
 33 64  1  0  0  0  0
M  END

$$$$
D01FPX
  -OEChem-10101305022D

 27 28  0     0  0  0  0  0  0999 V2000
    2.8954    0.9571    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3854    3.6307    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5134    0.9571    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6166    2.7172    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7867    2.6126    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7044   -0.6307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7044    0.3693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7044   -2.6307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8384   -1.1307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5704   -1.1307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8384   -2.1307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5704   -2.1307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2044    1.9081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2044    1.9081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7044   -3.6307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7922    2.7172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3014   -0.8207    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1074   -0.8207    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3014   -2.4407    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1074   -2.4407    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0844   -3.6307    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7044   -4.2507    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3244   -3.6307    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.6524    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8688    3.2836    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1511    3.1142    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0389    2.0462    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1 14  1  0  0  0  0
  2 16  2  0  0  0  0
  3  7  2  0  0  0  0
  3 13  1  0  0  0  0
  4 14  1  0  0  0  0
  4 24  1  0  0  0  0
  4 25  1  0  0  0  0
  5 16  1  0  0  0  0
  5 26  1  0  0  0  0
  5 27  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
  8 11  2  0  0  0  0
  8 12  1  0  0  0  0
  8 15  1  0  0  0  0
  9 11  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
 12 20  1  0  0  0  0
 13 14  2  0  0  0  0
 13 16  1  0  0  0  0
 15 21  1  0  0  0  0
 15 22  1  0  0  0  0
 15 23  1  0  0  0  0
M  END

$$$$
D01FQZ
  -OEChem-10101305032D

 44 47  0     0  0  0  0  0  0999 V2000
    6.3582    0.1141    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5022    2.1826    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8687    1.0184    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1418   -0.1616    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0992   -2.4243    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8550    1.6474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8609    1.6448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1640    0.6963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5545    0.6991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5241    2.3905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1421    0.4884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5453    0.4674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8113    1.2316    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1793    2.4243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2482   -0.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8459    1.2309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1650    2.2160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4487   -0.5071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8334    1.0307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4659   -0.7315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1629    0.0426    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2727   -0.7075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0000   -1.8824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6538   -2.3971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7564    2.9654    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   10.2429    1.4962    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8521   -0.2520    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   10.3772   -1.8150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.0744   -2.8527    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.1364   -2.4872    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5549    0.3008    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 13  1  0  0  0  0
  3 16  1  0  0  0  0
  3 36  1  0  0  0  0
  4 21  1  0  0  0  0
  4 44  1  0  0  0  0
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  6  7  1  0  0  0  0
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  7 14  1  0  0  0  0
  8 11  1  0  0  0  0
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 10 27  1  0  0  0  0
 10 28  1  0  0  0  0
 11 13  2  0  0  0  0
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 13 19  1  0  0  0  0
 14 17  2  0  0  0  0
 14 29  1  0  0  0  0
 15 22  1  0  0  0  0
 15 30  1  0  0  0  0
 15 31  1  0  0  0  0
 16 17  1  0  0  0  0
 17 32  1  0  0  0  0
 18 20  2  0  0  0  0
 18 33  1  0  0  0  0
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 20 21  1  0  0  0  0
 20 24  1  0  0  0  0
 22 23  2  0  0  0  0
 22 35  1  0  0  0  0
 23 25  1  0  0  0  0
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 24 37  1  0  0  0  0
 25 38  1  0  0  0  0
 25 42  1  0  0  0  0
 25 43  1  0  0  0  0
 26 39  1  0  0  0  0
 26 40  1  0  0  0  0
 26 41  1  0  0  0  0
M  END

$$$$
D01FTB
  -OEChem-10101305022D

 21 22  0     0  0  0  0  0  0999 V2000
    3.3987   -2.7694    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.5896    1.8184    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2077    1.8184    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8987    2.7694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.3987    1.2306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3987    0.2306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5326   -0.2694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2647   -0.2694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5326   -1.2694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.3987   -1.7694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1 12  1  0  0  0  0
  2  4  1  0  0  0  0
  2  6  1  0  0  0  0
  2 17  1  0  0  0  0
  3  5  1  0  0  0  0
  3  6  2  0  0  0  0
  4  5  1  0  0  0  0
  4 13  1  0  0  0  0
  4 14  1  0  0  0  0
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  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 18  1  0  0  0  0
  9 11  2  0  0  0  0
  9 19  1  0  0  0  0
 10 12  2  0  0  0  0
 10 20  1  0  0  0  0
 11 12  1  0  0  0  0
 11 21  1  0  0  0  0
M  END

$$$$
D01FTP
  -OEChem-10101305022D

 33 35  0     0  0  0  0  0  0999 V2000
    8.0901   -0.3020    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.2327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.2673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    0.2327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.3301   -0.2673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.2327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    1.7327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.2327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0901    1.7673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.2673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.2673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9962    0.2119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9962    1.2535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.2673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.7673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.2327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.3960   -0.6035    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1  4  1  0  0  0  0
  1 13  2  0  0  0  0
  2  3  1  0  0  0  0
  2  6  2  0  0  0  0
  2  7  1  0  0  0  0
  3  9  1  0  0  0  0
  3 12  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
  5 10  1  0  0  0  0
  6 19  1  0  0  0  0
  7  8  2  0  0  0  0
  7 20  1  0  0  0  0
  8 21  1  0  0  0  0
  9 11  2  0  0  0  0
  9 22  1  0  0  0  0
 10 14  2  0  0  0  0
 10 23  1  0  0  0  0
 11 15  1  0  0  0  0
 11 17  1  0  0  0  0
 12 16  1  0  0  0  0
 12 24  1  0  0  0  0
 13 14  1  0  0  0  0
 13 18  1  0  0  0  0
 14 25  1  0  0  0  0
 15 16  2  0  0  0  0
 15 26  1  0  0  0  0
 16 27  1  0  0  0  0
 17 28  1  0  0  0  0
 17 29  1  0  0  0  0
 17 30  1  0  0  0  0
 18 31  1  0  0  0  0
 18 32  1  0  0  0  0
 18 33  1  0  0  0  0
M  END

$$$$
D01FVY
  -OEChem-10101305022D

 33 35  0     1  0  0  0  0  0999 V2000
    8.6907   -0.2918    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5274    1.4148    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3991   -1.4458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7328   -0.7001    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.7123   -0.9088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0547    0.2905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0274   -0.1241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3518    1.0592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3364    0.8270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0274   -0.1241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7183    0.8270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3424   -0.9088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7029    1.0592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3780   -1.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3219   -0.7001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.2905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0443   -1.9874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5378   -1.2887    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1824   -1.2306    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9387   -1.4860    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6029    0.0009    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4339    0.7811    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8742    1.3932    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1122    1.6310    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5274    2.0348    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2052   -2.0348    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5408   -1.4962    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5182    1.6510    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9088   -1.1625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3940    0.4218    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5820   -2.4005    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4574   -2.4498    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5066   -1.5743    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 14  2  0  0  0  0
  2  9  1  0  0  0  0
  2 11  1  0  0  0  0
  2 25  1  0  0  0  0
  3  4  1  0  0  0  0
  3 14  1  0  0  0  0
  3 26  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4 18  1  0  0  0  0
  5  7  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 21  1  0  0  0  0
  6 22  1  0  0  0  0
  7  9  2  0  0  0  0
  7 10  1  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
 10 11  1  0  0  0  0
 10 12  2  0  0  0  0
 11 13  2  0  0  0  0
 12 15  1  0  0  0  0
 12 27  1  0  0  0  0
 13 16  1  0  0  0  0
 13 28  1  0  0  0  0
 14 17  1  0  0  0  0
 15 16  2  0  0  0  0
 15 29  1  0  0  0  0
 16 30  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
M  END

$$$$
D01FWD
  -OEChem-10101305032D

 25 27  0     0  0  0  0  0  0999 V2000
    4.6783   -0.5234    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783   -2.1329    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.8281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.8282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9889    0.4271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2619   -1.3282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.3281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.3282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9674    0.6333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3211    1.1714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.8281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.8282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2781    1.5838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6318    2.1219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6103    2.3282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8819   -1.3282    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.2919    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.9482    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3815    0.1719    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7144    1.0436    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -0.5181    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -2.1382    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8848    1.7117    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2177    2.5834    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8029    2.9175    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  6  1  0  0  0  0
  2  4  1  0  0  0  0
  2  6  2  0  0  0  0
  3  4  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  2  0  0  0  0
  5  9  2  0  0  0  0
  5 10  1  0  0  0  0
  6 16  1  0  0  0  0
  7 11  1  0  0  0  0
  7 17  1  0  0  0  0
  8 12  1  0  0  0  0
  8 18  1  0  0  0  0
  9 13  1  0  0  0  0
  9 19  1  0  0  0  0
 10 14  2  0  0  0  0
 10 20  1  0  0  0  0
 11 12  2  0  0  0  0
 11 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

$$$$
D01FYB
  -OEChem-10101305022D

 32 34  0     0  0  0  0  0  0999 V2000
    5.4641   -1.2673    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.2327    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.9561   -0.3020    0.0000 N   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
    2.8660    1.2327    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
    3.7320   -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
    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
    7.1962    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
    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
    9.8622    0.2119    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
    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
    4.5981    0.8527    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
    4.2690   -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
   10.3979   -0.1002    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
    2.3291    1.5427    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    1.5427    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  2  0  0  0  0
  2  7  1  0  0  0  0
  2 11  1  0  0  0  0
  2 23  1  0  0  0  0
  3  8  2  0  0  0  0
  3 19  1  0  0  0  0
  4 10  2  0  0  0  0
  4 20  1  0  0  0  0
  5 14  1  0  0  0  0
  5 31  1  0  0  0  0
  5 32  1  0  0  0  0
  6  9  2  0  0  0  0
  6 11  1  0  0  0  0
  6 12  1  0  0  0  0
  7 14  1  0  0  0  0
  7 15  2  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  9 21  1  0  0  0  0
 10 13  1  0  0  0  0
 12 13  2  0  0  0  0
 12 22  1  0  0  0  0
 13 24  1  0  0  0  0
 14 16  2  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
 19 20  2  0  0  0  0
 19 29  1  0  0  0  0
 20 30  1  0  0  0  0
M  END

$$$$
D01GAR
  -OEChem-10101305022D

 38 37  0     0  0  0  0  0  0999 V2000
    6.3301    2.6900    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.6900    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    3.1900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    3.1900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8301    1.8240    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0981    1.8240    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8301    3.5560    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0981    3.5560    0.0000 O   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
    5.4641    2.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.1900    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
    3.7320   -0.8100    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   -2.3100    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
    2.0000   -3.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    1.8800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6762    0.6074    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0747    1.2977    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8101   -0.8926    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2087   -0.2023    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5200   -0.2274    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1215   -0.9177    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0611    1.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9441   -2.3926    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3426   -1.7023    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6540   -1.7274    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2554   -2.4177    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0781   -3.8926    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4766   -3.2023    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -3.2731    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -4.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   -4.3469    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4781    1.8240    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4501    1.8240    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    2.8800    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
  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
  1  7  2  0  0  0  0
  1 10  1  0  0  0  0
  2  3  1  0  0  0  0
  2  6  1  0  0  0  0
  2  8  2  0  0  0  0
  2 10  1  0  0  0  0
  3 38  1  0  0  0  0
  4 37  1  0  0  0  0
  5 36  1  0  0  0  0
  6 35  1  0  0  0  0
  9 11  1  0  0  0  0
  9 12  1  0  0  0  0
  9 25  1  0  0  0  0
 10 11  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 13  1  0  0  0  0
 12 21  1  0  0  0  0
 12 22  1  0  0  0  0
 13 14  1  0  0  0  0
 13 23  1  0  0  0  0
 13 24  1  0  0  0  0
 14 15  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
 15 28  1  0  0  0  0
 15 29  1  0  0  0  0
 16 17  1  0  0  0  0
 16 30  1  0  0  0  0
 16 31  1  0  0  0  0
 17 32  1  0  0  0  0
 17 33  1  0  0  0  0
 17 34  1  0  0  0  0
M  END

$$$$
D01GAX
  -OEChem-10101305022D

 28 29  0     1  0  0  0  0  0999 V2000
    2.8660   -2.0000    0.0000 N   0  0  3  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
    2.0000   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  3  1  0  0  0  0
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  7  9  2  0  0  0  0
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 11 26  1  0  0  0  0
 12 13  1  0  0  0  0
 12 27  1  0  0  0  0
 13 28  1  0  0  0  0
M  END

$$$$
D01GAZ
          04021100482D 1   1.00000     0.00000     0

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   -1.9202   -0.6698    0.0000 C   0  0  0  0  0  0           0  0  0
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   -0.6780   -1.4548    0.0000 C   0  0  0  0  0  0           0  0  0
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   -5.4007   -1.5101    0.0000 I   0  0  0  0  0  0           0  0  0
  8 10  1  0     0  0
  5  6  1  0     0  0
 10 11  2  0     0  0
 11 12  1  0     0  0
  2  3  2  0     0  0
 12 13  2  0     0  0
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 13 14  1  0     0  0
  1  2  1  0     0  0
 14 15  2  0     0  0
 15 10  1  0     0  0
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 13 16  1  0     0  0
 16 17  1  0     0  0
  6  7  1  0     0  0
  7  8  2  0     0  0
  8  9  1  0     0  0
  9  5  2  0     0  0
 17 18  2  0     0  0
 18 19  1  0     0  0
 19 20  1  0     0  0
 20 16  2  0     0  0
  4  1  2  0     0  0
  2 21  1  0     0  0
M  ISO  1  21 123
M  END

$$$$
D01GEO
  -OEChem-10101305022D

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 20 24  1  0  0  0  0
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 30 32  1  0  0  0  0
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 36 53  1  0  0  0  0
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 38 41  2  0  0  0  0
 39 54  1  0  0  0  0
 41 55  1  0  0  0  0
 42 56  1  0  0  0  0
M  END

$$$$
D01GGU
  -OEChem-10101305032D

 44 46  0     0  0  0  0  0  0999 V2000
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 12 15  2  0  0  0  0
 13 16  1  0  0  0  0
 13 30  1  0  0  0  0
 13 31  1  0  0  0  0
 14 17  2  0  0  0  0
 14 18  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 20  1  0  0  0  0
 17 35  1  0  0  0  0
 18 21  2  0  0  0  0
 18 36  1  0  0  0  0
 19 37  1  0  0  0  0
 20 22  2  0  0  0  0
 21 22  1  0  0  0  0
 21 38  1  0  0  0  0
 22 39  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
M  END

$$$$
D01GIW
  -OEChem-04152122262D

  3  2  0     0  0  0  0  0  0999 V2000
    2.8660    0.0000    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
    2.0000   -0.5000    0.0000 S   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
M  END

$$$$
D01GLG
  -OEChem-10101305032D

 31 32  0     1  0  0  0  0  0999 V2000
    4.5411   -1.2153    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6443   -2.9754    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8144   -2.8709    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.3725    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    3.3725    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.3725    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.8725    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2320   -2.1664    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.7320   -0.6275    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.9230   -1.2153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2320   -2.1664    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8198   -2.9754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.8725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.8725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.8725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.3725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    2.3725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5135   -2.7188    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2845   -0.3461    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6130   -0.6784    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3566   -1.4675    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8444   -2.0694    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2626   -3.2472    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9907   -3.5714    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    0.5625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0277   -2.9106    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291    2.1825    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1788   -3.3725    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7741    1.8355    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    2.6825    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1541    2.9094    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
  8  2  1  1  0  0  0
  2 26  1  0  0  0  0
  3 12  1  0  0  0  0
  3 28  1  0  0  0  0
  4 14  2  0  0  0  0
  5 16  2  0  0  0  0
  9  6  1  6  0  0  0
  6 13  1  0  0  0  0
  6 14  1  0  0  0  0
  7 14  1  0  0  0  0
  7 16  1  0  0  0  0
  7 27  1  0  0  0  0
  8 10  1  0  0  0  0
  8 11  1  0  0  0  0
  8 18  1  0  0  0  0
  9 10  1  0  0  0  0
  9 19  1  0  0  0  0
 10 20  1  0  0  0  0
 10 21  1  0  0  0  0
 11 12  1  6  0  0  0
 11 22  1  0  0  0  0
 12 23  1  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
 15 16  1  0  0  0  0
 15 17  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
M  END

$$$$
D01GMJ
  -OEChem-10101305022D

 18 17  0     1  0  0  0  0  0999 V2000
    2.5369   -0.2500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    0.2500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    1.2500    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
    4.2690   -0.2500    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.1350    0.2500    0.0000 C   0  0  3  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
    6.0010   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8059   -0.5600    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
    3.8015    0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0044    0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6025   -0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3996   -0.7249    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
    3.7320   -1.5600    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
    2.0000    0.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1 18  1  0  0  0  0
  2  8  1  0  0  0  0
  2 17  1  0  0  0  0
  3  6  1  0  0  0  0
  3 15  1  0  0  0  0
  4  5  1  0  0  0  0
  4 16  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5  9  1  0  0  0  0
  6  8  1  0  0  0  0
  6 10  1  0  0  0  0
  7 11  1  0  0  0  0
  7 12  1  0  0  0  0
  8 13  1  0  0  0  0
  8 14  1  0  0  0  0
M  END

$$$$
D01GNF
  -OEChem-10101305032D

 32 34  0     0  0  0  0  0  0999 V2000
    3.3987   -3.5262    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
    7.2890    0.7855    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
    5.1588    0.7526    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3109    2.8217    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3987    0.4738    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5896    1.0616    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8987    2.0127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2077    1.0616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3987   -0.5262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8987    2.0127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4865    2.8217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4810    2.7172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5326   -1.0262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2647   -1.0262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5326   -2.0262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2647   -2.0262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8877    1.8036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0688    3.5262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3987   -2.5262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8822    1.6991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0633    3.4216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4700    2.5081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2343    3.3881    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9957   -0.7162    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8016   -0.7162    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9957   -2.3362    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8016   -2.3362    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5233    1.3020    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8166    4.0926    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4277    3.9232    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0866    2.4433    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 19  1  0  0  0  0
  2 20  1  0  0  0  0
  3  8  2  0  0  0  0
  4 10  2  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  5  9  1  0  0  0  0
  6 10  1  0  0  0  0
  6 23  1  0  0  0  0
  7  8  1  0  0  0  0
  7 10  1  0  0  0  0
  7 11  2  0  0  0  0
  9 13  2  0  0  0  0
  9 14  1  0  0  0  0
 11 12  1  0  0  0  0
 11 24  1  0  0  0  0
 12 17  2  0  0  0  0
 12 18  1  0  0  0  0
 13 15  1  0  0  0  0
 13 25  1  0  0  0  0
 14 16  2  0  0  0  0
 14 26  1  0  0  0  0
 15 19  2  0  0  0  0
 15 27  1  0  0  0  0
 16 19  1  0  0  0  0
 16 28  1  0  0  0  0
 17 20  1  0  0  0  0
 17 29  1  0  0  0  0
 18 21  2  0  0  0  0
 18 30  1  0  0  0  0
 20 22  2  0  0  0  0
 21 22  1  0  0  0  0
 21 31  1  0  0  0  0
 22 32  1  0  0  0  0
M  END

$$$$
D01GNQ
  -OEChem-10101305022D

 17 17  0     0  0  0  0  0  0999 V2000
    3.7320    1.0950    0.0000 As  0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.5950    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    0.5950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.4050    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
    3.7320   -0.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.9050    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
    2.8660   -2.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -0.5950    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -0.5950    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -2.2150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -2.2150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.0250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    2.4050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    0.9050    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
  2  5  1  0  0  0  0
  3 16  1  0  0  0  0
  4 17  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
  7 12  1  0  0  0  0
  8 10  2  0  0  0  0
  8 13  1  0  0  0  0
  9 10  1  0  0  0  0
  9 14  1  0  0  0  0
 10 15  1  0  0  0  0
M  END

$$$$
D01GPC
  -OEChem-10191521592D

 54 57  0     1  0  0  0  0  0999 V2000
    2.8660   -7.4330    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.0981    6.4330    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.0981    2.4330    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0981    6.4330    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0981    6.4330    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.4330    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -4.9330    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -4.9330    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2320    3.9330    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.4330    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.3660    0.4330    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.3660    0.4330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.4330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2320    0.9330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.9330    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
    2.0000   -2.9330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.9330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2320    1.9330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -4.4330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0981    3.4330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -5.9330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -5.9330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9641    3.9330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -6.4330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9641    4.9330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2320    4.9330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0981    5.4330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0981    7.4330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0450   -0.6530    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2056    1.0319    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2584    1.0436    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7834    0.2210    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -1.1230    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4441    0.3504    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8426    1.0407    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3426   -2.0407    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7880   -1.3504    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3894   -2.0407    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9441   -1.3504    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9441   -3.5156    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3426   -2.8253    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3894   -2.8253    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7880   -3.5156    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0200    2.5156    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1 25  1  0  0  0  0
  2  4  2  0  0  0  0
  2  5  2  0  0  0  0
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 16 37  1  0  0  0  0
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 17 44  1  0  0  0  0
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 19 45  1  0  0  0  0
 19 46  1  0  0  0  0
 21 24  1  0  0  0  0
 22 25  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
 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
 29 52  1  0  0  0  0
 29 53  1  0  0  0  0
 29 54  1  0  0  0  0
M  END

$$$$
D01GPY
  -OEChem-10101305022D

 33 35  0     0  0  0  0  0  0999 V2000
   10.3972    1.7568    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -1.7673    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    0.2327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -0.2673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    0.2327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    1.2327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -0.2673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -1.2673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    1.2327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    1.7327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.2327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6270   -0.3020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.4030   -0.2673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8660    0.0427    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0688   -0.1002    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9353    1.4489    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.4573    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 17  1  0  0  0  0
  1 32  1  0  0  0  0
  2 18  1  0  0  0  0
  2 33  1  0  0  0  0
  3  4  1  0  0  0  0
  3  7  2  0  0  0  0
  3  9  1  0  0  0  0
  4  8  2  0  0  0  0
  4 11  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  5 12  1  0  0  0  0
  6 10  1  0  0  0  0
  6 13  1  0  0  0  0
  7 20  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 21  1  0  0  0  0
 10 22  1  0  0  0  0
 11 16  2  0  0  0  0
 11 23  1  0  0  0  0
 12 19  2  0  0  0  0
 12 24  1  0  0  0  0
 13 17  2  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
 15 27  1  0  0  0  0
 15 28  1  0  0  0  0
 15 29  1  0  0  0  0
 16 18  1  0  0  0  0
 16 30  1  0  0  0  0
 17 19  1  0  0  0  0
 19 31  1  0  0  0  0
M  END

$$$$
D01GRB
  -OEChem-10191521312D

 41 43  0     1  0  0  0  0  0999 V2000
    2.8660   -1.5600    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.7795    3.4584    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    6.1346    0.0053    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4806   -1.0866    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4843    1.0890    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0868    2.5068    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4721    4.4100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7310    3.7658    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8279    3.1510    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4103   -1.7553    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4103   -3.3648    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
    3.7320   -3.0600    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -4.5600    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.6726   -0.4974    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.6743    0.5026    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.7210   -0.8048    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.7238    0.8132    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.4164    1.7648    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
    6.9939   -2.5600    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   -3.5600    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
    2.0000   -2.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2255   -0.2169    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    7.6139   -2.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1 24  1  0  0  0  0
  1 25  1  0  0  0  0
  2  6  1  0  0  0  0
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  2  8  1  0  0  0  0
  2  9  2  0  0  0  0
  3 17  1  0  0  0  0
  3 18  1  0  0  0  0
 15  4  1  1  0  0  0
  4 32  1  0  0  0  0
 16  5  1  1  0  0  0
  5 33  1  0  0  0  0
  6 19  1  0  0  0  0
  7 37  1  0  0  0  0
  8 38  1  0  0  0  0
 17 10  1  6  0  0  0
 10 20  1  0  0  0  0
 10 21  1  0  0  0  0
 11 21  2  0  0  0  0
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 12 20  1  0  0  0  0
 12 24  2  0  0  0  0
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 13 24  1  0  0  0  0
 14 23  1  0  0  0  0
 14 35  1  0  0  0  0
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 15 16  1  0  0  0  0
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 15 26  1  0  0  0  0
 16 18  1  0  0  0  0
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 17 28  1  0  0  0  0
 18 19  1  6  0  0  0
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 20 22  2  0  0  0  0
 21 34  1  0  0  0  0
 22 23  1  0  0  0  0
 25 39  1  0  0  0  0
 25 40  1  0  0  0  0
 25 41  1  0  0  0  0
M  END

$$$$
D01GSG
  -OEChem-10101305022D

 35 37  0     1  0  0  0  0  0999 V2000
    5.3147   -0.3793    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5000   -1.5818    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.4410    2.1482    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5827   -0.3793    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.6691    0.0274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4782   -1.3738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.7157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4487    0.1207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1808    0.1207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0468   -0.3793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9128    0.1207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.0468    1.6207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8067   -0.4140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8067    1.6553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7128    1.1415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7128    0.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5769    1.6448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.2485   -0.2122    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  6  1  0  0  0  0
  2  7  1  0  0  0  0
  2 29  1  0  0  0  0
  3 19  3  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4  8  1  1  0  0  0
  4 20  1  0  0  0  0
  5  7  1  0  0  0  0
  5 21  1  0  0  0  0
  5 22  1  0  0  0  0
  6 23  1  0  0  0  0
  6 24  1  0  0  0  0
  7 25  1  0  0  0  0
  7 26  1  0  0  0  0
  8 27  1  0  0  0  0
  8 28  1  0  0  0  0
  9 10  2  0  0  0  0
  9 13  1  0  0  0  0
 10 11  1  0  0  0  0
 10 30  1  0  0  0  0
 11 12  2  0  0  0  0
 11 15  1  0  0  0  0
 12 14  1  0  0  0  0
 12 16  1  0  0  0  0
 13 14  2  0  0  0  0
 13 31  1  0  0  0  0
 14 32  1  0  0  0  0
 15 18  2  0  0  0  0
 15 33  1  0  0  0  0
 16 17  2  0  0  0  0
 16 34  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 35  1  0  0  0  0
M  END

$$$$
D01GSO
  -OEChem-10101305022D

 36 36  0     1  0  0  0  0  0999 V2000
    4.5981    0.2010    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    1.2010    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.6962    1.5670    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.6962   -0.1651    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.7010    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.2990    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0981    1.0670    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0981   -0.6651    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.2010    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.3301   -0.7990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  3 11  1  0  0  0  0
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 10 12  2  0  0  0  0
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 13 15  2  0  0  0  0
 13 23  1  0  0  0  0
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 15 18  1  0  0  0  0
 15 25  1  0  0  0  0
 16 20  1  0  0  0  0
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 17 19  1  0  0  0  0
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 18 30  1  0  0  0  0
 19 33  1  0  0  0  0
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 19 35  1  0  0  0  0
 20 31  1  0  0  0  0
 20 32  1  0  0  0  0
 20 36  1  0  0  0  0
M  END

$$$$
D01GSW
  -OEChem-04152109442D

 44 47  0     0  0  0  0  0  0999 V2000
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  1 11  2  0  0  0  0
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 11 13  1  0  0  0  0
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 26 42  1  0  0  0  0
 26 43  1  0  0  0  0
 26 44  1  0  0  0  0
M  END

$$$$
D01GUG
  -OEChem-10101305022D

 67 71  0     1  0  0  0  0  0999 V2000
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    4.7400   -1.1994    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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 27 63  1  0  0  0  0
 28 64  1  0  0  0  0
 28 65  1  0  0  0  0
M  END

$$$$
D01GUK
  -OEChem-10101305022D

 38 41  0     0  0  0  0  0  0999 V2000
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 20 21  1  0  0  0  0
 20 37  1  0  0  0  0
 21 38  1  0  0  0  0
M  END

$$$$
D01GWH
  -OEChem-10101305022D

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 28 29  2  0  0  0  0
 28 58  1  0  0  0  0
 29 59  1  0  0  0  0
M  END

$$$$
D01GWN
  -OEChem-10101305022D

 76 79  0     1  0  0  0  0  0999 V2000
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M  END

$$$$
D01GYS
  -OEChem-10101305022D

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 90182  1  0  0  0  0
M  END

$$$$
D01GZV
  -OEChem-10101305022D

 69 68  0     0  0  0  0  0  0999 V2000
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M  END

$$$$
D01HAZ
  -OEChem-10101305022D

 64 64  0     0  0  0  0  0  0999 V2000
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 19 52  1  0  0  0  0
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 22 24  2  0  0  0  0
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 24 61  1  0  0  0  0
 25 62  1  0  0  0  0
 25 63  1  0  0  0  0
 25 64  1  0  0  0  0
M  END

$$$$
D01HBS
  -OEChem-10101305022D

 43 45  0     0  0  0  0  0  0999 V2000
    3.7320   -0.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 11 12  1  0  0  0  0
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 21 22  1  0  0  0  0
 21 42  1  0  0  0  0
 22 43  1  0  0  0  0
M  END

$$$$
D01HCL
  -OEChem-10191521292D

 61 61  0     1  0  0  0  0  0999 V2000
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   13.3296    4.7109    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.6627    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  8  1  1  6  0  0  0
  1 42  1  0  0  0  0
  2 12  2  0  0  0  0
 15  3  1  1  0  0  0
  3 49  1  0  0  0  0
  4 25  1  0  0  0  0
  4 61  1  0  0  0  0
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  6  7  1  0  0  0  0
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  6  9  1  1  0  0  0
  6 26  1  0  0  0  0
  7 11  1  6  0  0  0
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 10 31  1  0  0  0  0
 10 32  1  0  0  0  0
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 13 36  1  0  0  0  0
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 14 37  1  0  0  0  0
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 15 17  1  0  0  0  0
 15 39  1  0  0  0  0
 16 18  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 43  1  0  0  0  0
 17 44  1  0  0  0  0
 18 20  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
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 19 48  1  0  0  0  0
 20 23  1  0  0  0  0
 20 50  1  0  0  0  0
 20 51  1  0  0  0  0
 21 22  1  0  0  0  0
 21 52  1  0  0  0  0
 21 53  1  0  0  0  0
 22 24  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
 24 58  1  0  0  0  0
 24 59  1  0  0  0  0
 24 60  1  0  0  0  0
M  END

$$$$
D01HCO
  -OEChem-10101305022D

 35 36  0     0  0  0  0  0  0999 V2000
    6.8671    2.0000    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    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
    5.1350   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    2.5000    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
    6.0010   -0.5000    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
    8.5991    4.0000    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
    6.0010   -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
    6.8671   -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
    7.7331   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5210    4.0826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1225    3.3923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9451    1.9174    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.5981   -0.6900    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
    8.9091    3.4631    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1360    4.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    6.5380   -3.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    8.2700   -0.8100    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  9  1  0  0  0  0
  1 15  1  0  0  0  0
  2 19  1  0  0  0  0
  2 35  1  0  0  0  0
  3 19  2  0  0  0  0
  4  7  1  0  0  0  0
  4 11  1  0  0  0  0
  4 25  1  0  0  0  0
  5 11  2  0  0  0  0
  5 15  1  0  0  0  0
  6 15  2  0  0  0  0
  6 20  1  0  0  0  0
  7 10  1  0  0  0  0
  7 12  2  0  0  0  0
  8  9  1  0  0  0  0
  8 14  1  0  0  0  0
  8 21  1  0  0  0  0
  8 22  1  0  0  0  0
  9 23  1  0  0  0  0
  9 24  1  0  0  0  0
 10 13  2  0  0  0  0
 10 19  1  0  0  0  0
 11 18  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 28  1  0  0  0  0
 14 29  1  0  0  0  0
 14 30  1  0  0  0  0
 16 17  2  0  0  0  0
 16 31  1  0  0  0  0
 17 32  1  0  0  0  0
 18 20  2  0  0  0  0
 18 33  1  0  0  0  0
 20 34  1  0  0  0  0
M  END

$$$$
D01HCR
  -OEChem-10101305022D

 55 56  0     0  0  0  0  0  0999 V2000
    5.4641   -1.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    4.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    2.5000    0.0000 O   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
    7.1962    4.5000    0.0000 N   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   -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   -6.0000    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   -6.5000    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
    2.0000   -7.5000    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    0.0000    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
    5.4641    1.5000    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
    4.5981    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    3.0000    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
    8.9282    5.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    7.0000    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
    9.7942    6.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    7.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9441   -5.0826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3426   -4.3923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6540   -4.4174    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2554   -5.1077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5200   -2.9174    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1215   -3.6077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0781   -6.5826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4766   -5.8923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    1.3800   -7.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -8.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6200   -7.5000    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
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    6.8671    1.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   10.3312    5.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    8.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3312    7.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  1  0  0  0  0
  1 14  1  0  0  0  0
  2  5  1  0  0  0  0
  2 20  1  0  0  0  0
  3 20  2  0  0  0  0
  4 17  1  0  0  0  0
  4 20  1  0  0  0  0
  4 49  1  0  0  0  0
  5 24  2  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6 28  1  0  0  0  0
  6 29  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 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
 13 44  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
 15 45  1  0  0  0  0
 16 19  2  0  0  0  0
 16 46  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 18 47  1  0  0  0  0
 19 48  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 21 24  1  0  0  0  0
 22 25  1  0  0  0  0
 22 50  1  0  0  0  0
 23 26  2  0  0  0  0
 23 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
 26 27  1  0  0  0  0
 26 54  1  0  0  0  0
 27 55  1  0  0  0  0
M  END

$$$$
D01HDD
  -OEChem-10101305032D

 29 31  0     0  0  0  0  0  0999 V2000
    3.7320    2.2990    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.7010    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.2990    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.7010    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.8550    2.0543    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8550   -1.4562    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1279    0.2990    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.7990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.2010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1279    0.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5443    1.1038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5443   -0.5057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6279   -0.5670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.7010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.7990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.2010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1279   -1.4330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6279   -0.5670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6279   -2.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1279   -1.4330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6279   -2.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7105    0.5111    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0202    0.9096    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5079   -1.4330    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9379   -0.0301    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    8.9379   -2.8360    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 14  1  0  0  0  0
  2 15  1  0  0  0  0
  3 16  1  0  0  0  0
  4 17  1  0  0  0  0
  5 11  2  0  0  0  0
  6 12  2  0  0  0  0
  7 10  1  0  0  0  0
  7 11  1  0  0  0  0
  7 12  1  0  0  0  0
  8  9  2  0  0  0  0
  8 11  1  0  0  0  0
  8 14  1  0  0  0  0
  9 12  1  0  0  0  0
  9 15  1  0  0  0  0
 10 13  1  0  0  0  0
 10 23  1  0  0  0  0
 10 24  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
 15 17  2  0  0  0  0
 16 17  1  0  0  0  0
 18 20  1  0  0  0  0
 18 25  1  0  0  0  0
 19 21  2  0  0  0  0
 19 26  1  0  0  0  0
 20 22  2  0  0  0  0
 20 27  1  0  0  0  0
 21 22  1  0  0  0  0
 21 28  1  0  0  0  0
 22 29  1  0  0  0  0
M  END

$$$$
D01HFL
  -OEChem-10101305022D

 41 44  0     0  0  0  0  0  0999 V2000
    5.9344    0.2264    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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 22 40  1  0  0  0  0
 23 41  1  0  0  0  0
M  END

$$$$
D01HGV
  -OEChem-10101305032D

 50 52  0     0  0  0  0  0  0999 V2000
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 27 30  1  0  0  0  0
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 29 49  1  0  0  0  0
M  END

$$$$
D01HHH
          04300902022D 1   1.00000     0.00000     0

 49 54  0     0  0            999 V2000
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   -2.0082   -4.8651    0.0000 C   0  0  0  0  0  0           0  0  0
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 23 24  1  0     0  0
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 18 23  1  0     0  0
 46 48  1  0     0  0
  6  7  1  0     0  0
 46 49  2  0     0  0
 48  3  1  0     0  0
M  END

$$$$
D01HHL
  -OEChem-10101305022D

107107  0     1  0  0  0  0  0999 V2000
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M  END

$$$$
D01HJN
  -OEChem-10101305032D

 27 28  0     0  0  0  0  0  0999 V2000
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M  END

$$$$
D01HJZ
  -OEChem-10101305032D

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  1  3  1  0  0  0  0
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  1 11  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2 18  1  0  0  0  0
  3 19  1  0  0  0  0
  3 20  1  0  0  0  0
  4  6  2  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 22  1  0  0  0  0
  7 13  1  0  0  0  0
  7 21  1  0  0  0  0
  8 14  2  0  0  0  0
  8 24  1  0  0  0  0
  9 15  2  0  0  0  0
  9 23  1  0  0  0  0
 10 25  1  0  0  0  0
 10 29  1  0  0  0  0
 10 30  1  0  0  0  0
 11 26  1  0  0  0  0
 11 27  1  0  0  0  0
 11 28  1  0  0  0  0
 12 16  2  0  0  0  0
 12 32  1  0  0  0  0
 13 17  2  0  0  0  0
 13 31  1  0  0  0  0
 14 16  1  0  0  0  0
 14 34  1  0  0  0  0
 15 17  1  0  0  0  0
 15 33  1  0  0  0  0
 16 36  1  0  0  0  0
 17 35  1  0  0  0  0
M  END

$$$$
D01HKU
  -OEChem-10101305022D

 71 74  0     1  0  0  0  0  0999 V2000
   13.8439   -1.6237    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1196    0.3829    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   12.9914    1.8796    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  3  8  1  0  0  0  0
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 25  9  1  6  0  0  0
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 20 47  1  0  0  0  0
 20 48  1  0  0  0  0
 21 23  1  0  0  0  0
 23 24  1  0  0  0  0
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 25 26  1  0  0  0  0
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 27 28  1  0  0  0  0
 28 30  2  0  0  0  0
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 29 32  2  0  0  0  0
 29 33  1  0  0  0  0
 30 32  1  0  0  0  0
 30 58  1  0  0  0  0
 31 33  2  0  0  0  0
 31 59  1  0  0  0  0
 32 60  1  0  0  0  0
 33 61  1  0  0  0  0
 34 36  1  0  0  0  0
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 35 64  1  0  0  0  0
 35 65  1  0  0  0  0
 35 66  1  0  0  0  0
 36 37  2  0  0  0  0
 37 67  1  0  0  0  0
 38 39  1  0  0  0  0
 38 40  1  0  0  0  0
M  END

$$$$
D01HLF
          04170800062D 1   1.00000     0.00000     0

 15 16  0     0  0            999 V2000
    3.0417    1.4708    0.0000 N   0  0  0  0  0  0           0  0  0
    3.7542    1.4708    0.0000 C   0  0  0  0  0  0           0  0  0
    2.8250    2.1583    0.0000 C   0  0  0  0  0  0           0  0  0
    3.9750    2.1583    0.0000 N   0  0  0  0  0  0           0  0  0
    3.4000    2.5708    0.0000 S   0  0  0  0  0  0           0  0  0
    4.3667    1.1208    0.0000 N   0  0  0  0  0  0           0  0  0
    4.9792    1.4708    0.0000 C   0  0  0  0  0  0           0  0  0
    4.9792    2.1833    0.0000 S   0  0  0  0  0  0           0  0  0
    2.2042    2.5083    0.0000 C   0  0  0  0  0  0           0  0  0
    5.5917    1.1208    0.0000 N   0  0  0  0  0  0           0  0  0
    1.5917    2.1500    0.0000 C   0  0  0  0  0  0           0  0  0
    2.2042    3.2208    0.0000 C   0  0  0  0  0  0           0  0  0
    0.9792    2.5083    0.0000 C   0  0  0  0  0  0           0  0  0
    1.5917    3.5708    0.0000 C   0  0  0  0  0  0           0  0  0
    0.9792    3.2208    0.0000 C   0  0  0  0  0  0           0  0  0
  2  1  1  0     0  0
  3  1  2  0     0  0
  4  2  2  0     0  0
  5  3  1  0     0  0
  6  2  1  0     0  0
  7  6  1  0     0  0
  8  7  2  0     0  0
  9  3  1  0     0  0
 10  7  1  0     0  0
 11  9  2  0     0  0
 12  9  1  0     0  0
 13 11  1  0     0  0
 14 12  2  0     0  0
 15 14  1  0     0  0
  4  5  1  0     0  0
 15 13  2  0     0  0
M  END

$$$$
D01HNP
  -OEChem-10101305032D

  9  8  0     0  0  0  0  0  0999 V2000
    5.1350    0.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    5.6720    0.5600    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  8  1  0  0  0  0
  2  5  1  0  0  0  0
  2  9  1  0  0  0  0
  3  5  2  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4  7  1  0  0  0  0
M  END

$$$$
D01HOO
  -OEChem-10191521352D

 35 36  0     1  0  0  0  0  0999 V2000
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    4.2690   -0.2994    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    5.1350    0.2006    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.1350    1.2006    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.6648    0.7006    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    7.4739    0.1128    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    1.2006    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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  1 10  1  0  0  0  0
  1 11  1  0  0  0  0
  2  9  1  0  0  0  0
  2 16  1  0  0  0  0
 15  3  1  1  0  0  0
  3 35  1  0  0  0  0
  4 18  1  0  0  0  0
  5 18  2  0  0  0  0
  6 19  1  0  0  0  0
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 17  8  1  6  0  0  0
  8 32  1  0  0  0  0
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  8 34  1  0  0  0  0
  9 10  1  0  0  0  0
  9 12  1  0  0  0  0
  9 20  1  0  0  0  0
 10 13  1  0  0  0  0
 10 21  1  0  0  0  0
 11 12  1  0  0  0  0
 11 14  1  0  0  0  0
 11 18  1  1  0  0  0
 12 22  1  0  0  0  0
 12 23  1  0  0  0  0
 13 15  1  0  0  0  0
 13 24  1  0  0  0  0
 13 25  1  0  0  0  0
 14 17  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
 15 28  1  0  0  0  0
 16 29  1  0  0  0  0
 16 30  1  0  0  0  0
 17 19  1  0  0  0  0
 17 31  1  0  0  0  0
M  CHG  3   4  -1   6  -1   8   1
M  END

$$$$
D01HOP
  -OEChem-10101305022D

 83 84  0     1  0  0  0  0  0999 V2000
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    5.4641   -1.5600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    2.9400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282   -0.5600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603    7.4400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -5.0600    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -3.0600    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    1.4400    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -0.5600    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603    2.4400    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.3923    7.4400    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    6.3301   -6.0600    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    9.7942    2.9400    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.0622    0.9400    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    9.7942    3.9400    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
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   10.6603    4.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0000   -3.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0000   -4.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603    5.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5263    3.9400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.3923    5.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5263    6.9400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8535   -6.6677    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -7.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -5.7500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.9966   -2.5850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.2881   -7.5231    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.9081   -8.5969    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0201   -8.5969    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -8.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    9.7942    2.3200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    1.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5822    4.5226    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1836    3.8323    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4082   -2.1426    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8067   -1.4523    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
    4.2690   -4.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651    1.1300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6592   -0.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331   -7.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5062    1.9769    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6592    1.7500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    1.4631   -3.2500    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
   10.6603    1.8200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1972    2.7500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1233    5.7500    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
   11.5263    3.3200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.9292    4.1300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.9292    5.7500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.3923    8.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.9292    7.1300    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 69  1  0  0  0  0
  3 22  2  0  0  0  0
  4 24  2  0  0  0  0
  5 31  2  0  0  0  0
  6 32  2  0  0  0  0
  7 43  2  0  0  0  0
 16  8  1  6  0  0  0
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 17  9  1  6  0  0  0
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 26 10  1  6  0  0  0
 10 31  1  0  0  0  0
 10 67  1  0  0  0  0
 11 27  1  0  0  0  0
 11 32  1  0  0  0  0
 11 68  1  0  0  0  0
 25 12  1  6  0  0  0
 12 75  1  0  0  0  0
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 13 43  1  0  0  0  0
 13 82  1  0  0  0  0
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 14 15  1  0  0  0  0
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 15 19  1  0  0  0  0
 15 20  1  0  0  0  0
 15 46  1  0  0  0  0
 16 22  1  0  0  0  0
 16 47  1  0  0  0  0
 17 18  1  0  0  0  0
 17 21  1  0  0  0  0
 17 48  1  0  0  0  0
 19 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
 20 57  1  0  0  0  0
 21 23  1  0  0  0  0
 21 50  1  0  0  0  0
 21 51  1  0  0  0  0
 23 29  2  0  0  0  0
 23 30  1  0  0  0  0
 24 27  1  0  0  0  0
 25 28  1  0  0  0  0
 25 31  1  0  0  0  0
 25 59  1  0  0  0  0
 26 32  1  0  0  0  0
 26 34  1  0  0  0  0
 26 60  1  0  0  0  0
 27 63  1  0  0  0  0
 27 64  1  0  0  0  0
 28 33  1  0  0  0  0
 28 61  1  0  0  0  0
 28 62  1  0  0  0  0
 29 35  1  0  0  0  0
 29 65  1  0  0  0  0
 30 36  2  0  0  0  0
 30 66  1  0  0  0  0
 33 38  2  0  0  0  0
 33 39  1  0  0  0  0
 34 70  1  0  0  0  0
 34 71  1  0  0  0  0
 34 72  1  0  0  0  0
 35 37  2  0  0  0  0
 35 73  1  0  0  0  0
 36 37  1  0  0  0  0
 36 74  1  0  0  0  0
 37 78  1  0  0  0  0
 38 40  1  0  0  0  0
 38 77  1  0  0  0  0
 39 41  2  0  0  0  0
 39 79  1  0  0  0  0
 40 42  2  0  0  0  0
 40 43  1  0  0  0  0
 41 42  1  0  0  0  0
 41 80  1  0  0  0  0
 42 81  1  0  0  0  0
M  END

$$$$
D01HQV
  -OEChem-10101305032D

 31 33  0     0  0  0  0  0  0999 V2000
    6.3301    2.0427    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.0427    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.4573    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    0.5427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.5427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    1.5427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.0427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.0427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0901    0.0080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9962    0.5219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0901    2.0773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.5427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9962    1.5635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.5427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.8602    0.0185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.0427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.4573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.5319    1.8756    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.1627    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -1.2673    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5482   -0.5172    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3960   -0.2935    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1723    0.5543    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291    0.3527    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.0773    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.0773    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 12  2  0  0  0  0
  3 19  1  0  0  0  0
  3 31  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  7  2  0  0  0  0
  5  8  1  0  0  0  0
  5 12  1  0  0  0  0
  6 11  1  0  0  0  0
  7 20  1  0  0  0  0
  8 14  2  0  0  0  0
  8 15  1  0  0  0  0
  9 10  2  0  0  0  0
  9 21  1  0  0  0  0
 10 13  1  0  0  0  0
 10 16  1  0  0  0  0
 11 13  2  0  0  0  0
 11 22  1  0  0  0  0
 13 23  1  0  0  0  0
 14 17  1  0  0  0  0
 14 24  1  0  0  0  0
 15 18  2  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
 17 19  2  0  0  0  0
 17 29  1  0  0  0  0
 18 19  1  0  0  0  0
 18 30  1  0  0  0  0
M  END

$$$$
D01HRG
  -OEChem-10101305022D

 26 28  0     0  0  0  0  0  0999 V2000
    6.2619   -0.9505    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9889   -2.7058    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783   -0.1458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.4505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.4505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9889    0.8047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2619   -0.9505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783   -1.7552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.0495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.9505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9674    1.0110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3211    1.5490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.4505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.4505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2781    1.9615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6318    2.4996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6103    2.7058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.6695    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.5705    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3815    0.5495    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7144    1.4212    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -0.1405    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -1.7605    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8848    2.0893    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2177    2.9610    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8029    3.2951    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  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  7  1  0  0  0  0
  4  5  1  0  0  0  0
  4  9  2  0  0  0  0
  5  8  1  0  0  0  0
  5 10  2  0  0  0  0
  6 11  2  0  0  0  0
  6 12  1  0  0  0  0
  7  8  1  0  0  0  0
  9 13  1  0  0  0  0
  9 18  1  0  0  0  0
 10 14  1  0  0  0  0
 10 19  1  0  0  0  0
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 15 17  2  0  0  0  0
 15 24  1  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
M  END

$$$$
D01HRV
  -OEChem-10191522182D

 65 69  0     1  0  0  0  0  0999 V2000
   16.8655    2.7875    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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   13.0549    0.5506    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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 15  4  1  1  0  0  0
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 17 20  1  0  0  0  0
 17 50  1  0  0  0  0
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 18 53  1  0  0  0  0
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 27 31  2  0  0  0  0
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 29 32  1  0  0  0  0
 29 62  1  0  0  0  0
 30 31  1  0  0  0  0
 31 63  1  0  0  0  0
 33 64  1  0  0  0  0
 34 65  1  0  0  0  0
M  END

$$$$
D01HST
  -OEChem-10191521392D

 45 49  0     0  0  0  0  0  0999 V2000
    2.0000    1.7987    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.3559    1.3647    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   11.4983    1.6694    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4983    0.0599    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0880    0.3647    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.3868    2.8534    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   10.5521    1.3647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.5521    0.3647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1 12  1  0  0  0  0
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 14 30  1  0  0  0  0
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 17 23  1  0  0  0  0
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 18 25  1  0  0  0  0
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 28 41  1  0  0  0  0
 28 42  1  0  0  0  0
 29 43  1  0  0  0  0
 29 44  1  0  0  0  0
 29 45  1  0  0  0  0
M  END

$$$$
D01HTH
  -OEChem-10101305032D

 46 47  0     0  0  0  0  0  0999 V2000
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 16 33  1  0  0  0  0
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 17 34  1  0  0  0  0
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 22 41  1  0  0  0  0
 23 24  2  0  0  0  0
 23 42  1  0  0  0  0
 24 43  1  0  0  0  0
M  END

$$$$
D01HTS
          06190900412D 1   1.00000     0.00000     0

 21 22  0     0  0            999 V2000
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 11  6  1  0     0  0
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  4 18  1  0     0  0
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 18 19  1  0     0  0
  9 10  1  0     0  0
 18 20  1  0     0  0
  5  1  1  0     0  0
  7 21  1  0     0  0
M  ISO  1  21 131
M  END

$$$$
D01HTX
  -OEChem-10101305022D

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 53109  1  0  0  0  0
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 54110  1  0  0  0  0
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 56112  1  0  0  0  0
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 59 60  1  0  0  0  0
 59117  1  0  0  0  0
 60118  1  0  0  0  0
M  END

$$$$
D01HUN
  -OEChem-10191522482D

 50 52  0     1  0  0  0  0  0999 V2000
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 24 28  2  0  0  0  0
 25 45  1  0  0  0  0
 28 47  1  0  0  0  0
 29 48  1  0  0  0  0
M  END

$$$$
D01HUO
  -OEChem-10101305022D

 30 34  0     0  0  0  0  0  0999 V2000
    6.7044   -1.1850    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.5312    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 15 21  2  0  0  0  0
 20 22  1  0  0  0  0
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 21 28  1  0  0  0  0
 22 23  2  0  0  0  0
 22 29  1  0  0  0  0
 23 30  1  0  0  0  0
M  END

$$$$
D01HUQ
  -OEChem-10101305022D

 20 20  0     0  0  0  0  0  0999 V2000
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  8  9  2  0  0  0  0
  8 16  1  0  0  0  0
  9 18  1  0  0  0  0
M  END

$$$$
D01HZE
  -OEChem-10101305022D

 53 56  0     1  0  0  0  0  0999 V2000
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   11.6186    0.7516    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    6.8693    0.7315    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    5.4641   -1.0645    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1480    3.1055    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7180    4.5085    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9580    4.5085    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1 27  1  0  0  0  0
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  8 31  1  0  0  0  0
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 10 11  1  0  0  0  0
 10 34  1  0  0  0  0
 10 35  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
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 13 14  1  0  0  0  0
 13 36  1  0  0  0  0
 13 37  1  0  0  0  0
 14 40  1  0  0  0  0
 15 16  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
 18 21  1  0  0  0  0
 18 42  1  0  0  0  0
 19 22  2  0  0  0  0
 19 43  1  0  0  0  0
 20 23  1  0  0  0  0
 20 24  2  0  0  0  0
 21 25  2  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
 24 27  1  0  0  0  0
 24 46  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 28  2  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
M  END

$$$$
D01HZN
  -OEChem-10101305022D

 28 29  0     1  0  0  0  0  0999 V2000
    5.4641   -3.2500    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.2500    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -4.2500    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    3.2500    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    3.2500    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    4.2500    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.2500    0.0000 C   0  0  3  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
    4.5981    0.2500    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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    3.7320    1.7500    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
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    3.7320    2.7500    0.0000 C   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
    4.5981    3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -1.4400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -1.4400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    1.4400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951    1.4400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -0.0600    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 19  1  0  0  0  0
  4 20  1  0  0  0  0
  5 21  1  0  0  0  0
  6 22  1  0  0  0  0
  7  9  1  0  0  0  0
  7 28  1  0  0  0  0
  8 11  2  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 23  1  0  0  0  0
 10 13  2  0  0  0  0
 10 14  1  0  0  0  0
 11 12  1  0  0  0  0
 12 15  2  0  0  0  0
 12 16  1  0  0  0  0
 13 18  1  0  0  0  0
 13 24  1  0  0  0  0
 14 17  2  0  0  0  0
 14 25  1  0  0  0  0
 15 21  1  0  0  0  0
 15 26  1  0  0  0  0
 16 20  2  0  0  0  0
 16 27  1  0  0  0  0
 17 19  1  0  0  0  0
 18 19  2  0  0  0  0
 20 22  1  0  0  0  0
 21 22  2  0  0  0  0
M  END

$$$$
D01IAT
  BIDD-NUS20110812001D

 18 20  0     0  0            999 V2000
    1.5000   -1.7625    0.0000 C   0  0  0  0  0  0           0  0  0
    0.0667   -1.7625    0.0000 C   0  0  0  0  0  0           0  0  0
    0.7792   -1.3500    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.6458   -1.3542    0.0000 C   0  0  0  0  0  0           0  0  0
    1.5000   -2.5875    0.0000 C   0  0  0  0  0  0           0  0  0
    2.2042   -1.3417    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.6458   -0.5250    0.0000 C   0  0  0  0  0  0           0  0  0
    0.0667   -2.5917    0.0000 C   0  0  0  0  0  0           0  0  0
    0.7792   -3.0042    0.0000 C   0  0  0  0  0  0           0  0  0
    2.2167   -3.0000    0.0000 C   0  0  0  0  0  0           0  0  0
    2.9250   -1.7542    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.3583   -0.1125    0.0000 C   0  0  0  0  0  0           0  0  0
    2.9292   -2.5792    0.0000 C   0  0  0  0  0  0           0  0  0
    3.6375   -1.3375    0.0000 O   0  0  0  0  0  0           0  0  0
   -1.3583    0.7125    0.0000 O   0  0  0  0  0  0           0  0  0
   -1.3500   -1.7625    0.0000 C   0  0  0  0  0  0           0  0  0
   -2.0708   -1.3542    0.0000 C   0  0  0  0  0  0           0  0  0
   -2.0708   -0.5250    0.0000 C   0  0  0  0  0  0           0  0  0
  2  3  1  0     0  0
  3  1  2  0     0  0
  4  2  1  0     0  0
  5  1  1  0     0  0
  6  1  1  0     0  0
  7  4  2  0     0  0
  8  9  1  0     0  0
  9  5  2  0     0  0
 10  5  1  0     0  0
 11  6  2  0     0  0
 12  7  1  0     0  0
 13 11  1  0     0  0
 14 11  1  0     0  0
 15 12  1  0     0  0
 16  4  1  0     0  0
 17 16  2  0     0  0
 18 17  1  0     0  0
 13 10  2  0     0  0
  8  2  2  0     0  0
 18 12  2  0     0  0
M  ENDM  END

$$$$
D01ICF
  -OEChem-10191522462D

 46 47  0     0  0  0  0  0  0999 V2000
    3.7320   -1.0193    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.4807    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.4807    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.1424   -2.3240    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -2.5193    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.7260   -1.5193    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.5193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -1.0193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -2.0193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.9807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.0193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.9807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.1424   -0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.4807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4530   -3.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.5193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.5193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    3.4807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4315   -3.4807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.5193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.0193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8535    1.0884    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2520    0.3981    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   10.0382   -3.6086    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1 17  1  0  0  0  0
  1 21  1  0  0  0  0
  2 17  2  0  0  0  0
  3  7  1  0  0  0  0
  3 10  1  0  0  0  0
  3 25  1  0  0  0  0
  4  6  1  0  0  0  0
  4  9  1  0  0  0  0
  4 16  1  0  0  0  0
  5  9  2  0  0  0  0
  5 13  1  0  0  0  0
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  7  8  2  0  0  0  0
  7 11  1  0  0  0  0
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  8 14  1  0  0  0  0
 10 12  1  0  0  0  0
 10 23  1  0  0  0  0
 10 24  1  0  0  0  0
 11 13  2  0  0  0  0
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 13 18  1  0  0  0  0
 14 28  1  0  0  0  0
 15 19  1  0  0  0  0
 15 29  1  0  0  0  0
 15 30  1  0  0  0  0
 16 20  1  0  0  0  0
 16 31  1  0  0  0  0
 16 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
 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 22  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

$$$$
D01IDD
  -OEChem-10101305022D

 42 45  0     0  0  0  0  0  0999 V2000
    6.3758    0.4371    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   11.7000    3.8312    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3257   -0.0883    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783   -3.2419    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7094   -1.1461    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    7.5763   -0.6476    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7320   -1.9372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.9372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9889   -0.6819    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2619   -2.4372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.4372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.4372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9674   -0.4757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.9372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.9372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3701    0.3309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.6665    1.3957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.0295    3.0892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.8819   -2.4372    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8709   -3.8312    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.8172    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -4.0572    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -1.6272    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -3.2472    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8499    1.6629    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8571    0.8057    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7751    2.6868    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9431    2.0077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8612    3.8888    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.5478    3.0154    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.2840    3.4917    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.8077    4.2278    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 15  1  0  0  0  0
  1 18  1  0  0  0  0
  2 23  1  0  0  0  0
  2 26  1  0  0  0  0
  3 20  2  0  0  0  0
  4 10  1  0  0  0  0
  4 12  1  0  0  0  0
  4 30  1  0  0  0  0
  5  7  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 35  1  0  0  0  0
  7 18  2  0  0  0  0
  8  9  1  0  0  0  0
  8 11  1  0  0  0  0
  8 12  2  0  0  0  0
  9 10  1  0  0  0  0
  9 13  2  0  0  0  0
 10 14  2  0  0  0  0
 11 15  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 16  1  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
 16 17  2  0  0  0  0
 16 33  1  0  0  0  0
 17 34  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  2  0  0  0  0
 19 22  1  0  0  0  0
 21 24  1  0  0  0  0
 21 36  1  0  0  0  0
 22 25  2  0  0  0  0
 22 37  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
 24 38  1  0  0  0  0
 25 39  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

$$$$
D01IEX
  -OEChem-04152110422D

 58 60  0     0  0  0  0  0  0999 V2000
    8.1962    3.1209    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.1117   -2.9577    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    9.9282    3.1276    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    7.2284   -4.4476    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    4.6660    0.0968    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660    4.0968    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0602    3.6242    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    8.6995    2.2568    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6928    3.9850    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1001   -3.9576    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    7.1118   -2.9461    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1116   -2.9692    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4144    0.0622    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4144    4.1314    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.8552   -1.9778    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321    1.5968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321    2.5968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4260    1.0621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4260    3.1314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000    1.5968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660    1.0968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3321    2.6176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000    2.5968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660    3.0968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3321    1.5760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746   -0.4478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9061    1.0621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9061    3.1314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2631   -1.4478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1232   -1.9577    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9950   -1.4678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1464    0.0421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.5760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.6176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0066   -0.4678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7269   -1.4878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5871   -1.9978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7385   -0.4879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4589   -1.5078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6102    0.0021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4704   -0.5079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8678    1.2639    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8740   -0.2416    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9132    0.4421    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9132    3.7514    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7226   -1.7515    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8740    4.4351    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9478    4.4476    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1535    0.6621    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4643    1.2639    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4643    2.9296    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5470   -0.1641    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8480   -2.5977    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5799   -2.6177    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2052   -0.1717    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.9922   -1.8240    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.6174    0.6220    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.0109   -0.2041    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1  8  2  0  0  0  0
  1  9  2  0  0  0  0
  1 22  1  0  0  0  0
  2 10  1  0  0  0  0
  2 11  2  0  0  0  0
  2 12  2  0  0  0  0
  2 30  1  0  0  0  0
  5 21  2  0  0  0  0
  6 24  2  0  0  0  0
 13 18  1  0  0  0  0
 13 26  1  0  0  0  0
 13 43  1  0  0  0  0
 14 19  1  0  0  0  0
 14 47  1  0  0  0  0
 14 48  1  0  0  0  0
 15 31  1  0  0  0  0
 15 36  1  0  0  0  0
 15 53  1  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 24  1  0  0  0  0
 18 25  2  0  0  0  0
 19 22  2  0  0  0  0
 20 21  1  0  0  0  0
 20 23  1  0  0  0  0
 20 27  2  0  0  0  0
 22 25  1  0  0  0  0
 23 24  1  0  0  0  0
 23 28  2  0  0  0  0
 25 42  1  0  0  0  0
 26 29  2  0  0  0  0
 26 32  1  0  0  0  0
 27 33  1  0  0  0  0
 27 44  1  0  0  0  0
 28 34  1  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
 30 31  2  0  0  0  0
 31 35  1  0  0  0  0
 32 35  2  0  0  0  0
 32 49  1  0  0  0  0
 33 34  2  0  0  0  0
 33 50  1  0  0  0  0
 34 51  1  0  0  0  0
 35 52  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 54  1  0  0  0  0
 38 40  2  0  0  0  0
 38 55  1  0  0  0  0
 39 41  2  0  0  0  0
 39 56  1  0  0  0  0
 40 41  1  0  0  0  0
 40 57  1  0  0  0  0
 41 58  1  0  0  0  0
M  CHG  4   3   1   4   1   7  -1  10  -1
M  END

$$$$
D01IFO
  -OEChem-10101305032D

 25 26  0     0  0  0  0  0  0999 V2000
    2.0000   -2.8170    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.3660   -3.1830    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.3660   -1.4510    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.1830    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    3.1830    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.3170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.8170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.8170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.6830    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
    4.5981   -2.3170    0.0000 C   0  0  0  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
    2.8660   -2.3170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.1830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    2.1830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.1830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.6830    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
    3.1951   -0.5070    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -0.5070    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.9370    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -2.1270    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    0.8730    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    2.4930    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    3.3030    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  1  0  0  0  0
  2 13  1  0  0  0  0
  3 13  1  0  0  0  0
  4  9  1  0  0  0  0
  4 16  2  0  0  0  0
  5 18  3  0  0  0  0
  6  8  2  0  0  0  0
  6  9  1  0  0  0  0
  6 10  1  0  0  0  0
  7  8  1  0  0  0  0
  7 11  2  0  0  0  0
  7 13  1  0  0  0  0
  8 19  1  0  0  0  0
  9 14  2  0  0  0  0
 10 12  2  0  0  0  0
 10 20  1  0  0  0  0
 11 12  1  0  0  0  0
 11 21  1  0  0  0  0
 12 22  1  0  0  0  0
 14 15  1  0  0  0  0
 14 23  1  0  0  0  0
 15 17  2  0  0  0  0
 15 24  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 25  1  0  0  0  0
M  END

$$$$
D01IFR
  -OEChem-10101305022D

 31 33  0     0  0  0  0  0  0999 V2000
    8.0413    1.0975    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.3776    0.4588    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5686    1.8601    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.5468    2.0680    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.3656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.6344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.8656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.8656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.1344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.8656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.1344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.3656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    2.3656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.1344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.8656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -2.1344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.8656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.6344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0468    1.2020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.9856    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951   -0.8244    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    2.1756    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -0.8244    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.2544    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951   -2.4444    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    2.9856    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -2.4444    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    0.5556    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -3.2544    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    2.1756    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7990    2.6344    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 19  2  0  0  0  0
  2  8  1  0  0  0  0
  2 19  1  0  0  0  0
  3  4  1  0  0  0  0
  3  8  2  0  0  0  0
  4 19  1  0  0  0  0
  4 31  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 20  1  0  0  0  0
  6  9  2  0  0  0  0
  6 11  1  0  0  0  0
  7 10  2  0  0  0  0
  7 12  1  0  0  0  0
  9 14  1  0  0  0  0
  9 21  1  0  0  0  0
 10 13  1  0  0  0  0
 10 22  1  0  0  0  0
 11 16  2  0  0  0  0
 11 23  1  0  0  0  0
 12 15  2  0  0  0  0
 12 24  1  0  0  0  0
 13 17  2  0  0  0  0
 13 26  1  0  0  0  0
 14 18  2  0  0  0  0
 14 25  1  0  0  0  0
 15 17  1  0  0  0  0
 15 28  1  0  0  0  0
 16 18  1  0  0  0  0
 16 27  1  0  0  0  0
 17 30  1  0  0  0  0
 18 29  1  0  0  0  0
M  END

$$$$
D01IGL
  -OEChem-10101305022D

 29 29  0     1  0  0  0  0  0999 V2000
    6.0872   -2.6560    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0532   -0.5006    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3801   -0.9489    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3801   -1.9489    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.3801   -0.9489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3801   -1.9489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6730   -2.6560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0872   -0.2418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8284    0.7241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7071   -2.3972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5355    1.4312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.1043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2767    2.3972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.6174   -2.5217    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7601   -0.9489    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4110   -3.2179    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1809   -3.0116    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4728    1.2320    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2665    0.4621    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5466   -1.7983    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8912    0.9234    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0974    1.6933    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4011   -2.9438    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1605   -3.7032    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6778    2.5576    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5827    2.9438    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8234    3.7032    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  5  1  0  0  0  0
  3  6  1  0  0  0  0
  3  8  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4  7  1  0  0  0  0
  4 15  1  0  0  0  0
  5 16  1  0  0  0  0
  5 17  1  0  0  0  0
  7 10  1  0  0  0  0
  7 18  1  0  0  0  0
  7 19  1  0  0  0  0
  8  9  1  0  0  0  0
  9 11  1  0  0  0  0
  9 20  1  0  0  0  0
  9 21  1  0  0  0  0
 10 12  2  0  0  0  0
 10 22  1  0  0  0  0
 11 13  1  0  0  0  0
 11 23  1  0  0  0  0
 11 24  1  0  0  0  0
 12 25  1  0  0  0  0
 12 26  1  0  0  0  0
 13 14  2  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
M  END

$$$$
D01IGU
  -OEChem-10191521392D

 16 15  0     0  0  0  0  0  0999 V2000
    6.0010   -0.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -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
    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    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8705   -0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6675   -0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8015    0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0044    0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5335    0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7365    0.7249    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
    2.5369   -0.8700    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
    6.8671    0.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1  6  1  0  0  0  0
  2  5  1  0  0  0  0
  2 13  1  0  0  0  0
  2 14  1  0  0  0  0
  3 15  1  0  0  0  0
  3 16  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4  7  1  0  0  0  0
  4  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
M  END

$$$$
D01IGW
  -OEChem-10101305022D

 22 23  0     0  0  0  0  0  0999 V2000
    3.7320   -1.4400    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.5600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -1.4400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.4400    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.0600    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.0600    0.0000 C   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
    4.5981   -0.9400    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
    3.7320    1.5600    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
    6.3301   -0.9400    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    0.5600    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
    4.2690    1.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -2.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    0.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    2.6800    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
    1.4631    1.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
  2  9  2  0  0  0  0
  3 12  2  0  0  0  0
  4  8  1  0  0  0  0
  4 12  1  0  0  0  0
  4 18  1  0  0  0  0
  5  9  1  0  0  0  0
  5 12  1  0  0  0  0
  5 19  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  2  0  0  0  0
  6  9  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 16  1  0  0  0  0
 11 14  2  0  0  0  0
 11 17  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
M  END

$$$$
D01IHM
  -OEChem-10101305022D

 29 31  0     0  0  0  0  0  0999 V2000
    3.0000    2.7500    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.7500    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.0000    1.7500    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.4641   -1.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5981   -0.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.4103   -2.5547    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.9939   -1.7500    0.0000 N   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
    4.7320   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4641   -2.2500    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
    4.7320   -2.2500    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
    7.4103   -0.9453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5981   -2.7500    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
    2.1340    0.2500    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
    3.0000    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7210    0.0053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4030    0.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1951   -2.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5981   -3.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -1.8700    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
    1.5970   -1.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3103   -0.1874    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9136    0.5946    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1317    0.1979    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  5  1  0  0  0  0
  4 10  1  0  0  0  0
  4 14  1  0  0  0  0
  5  9  2  0  0  0  0
  6  7  1  0  0  0  0
  6 10  2  0  0  0  0
  7 14  2  0  0  0  0
  8  9  1  0  0  0  0
  8 11  2  0  0  0  0
  8 16  1  0  0  0  0
  9 12  1  0  0  0  0
 10 15  1  0  0  0  0
 11 13  1  0  0  0  0
 11 21  1  0  0  0  0
 12 15  2  0  0  0  0
 12 22  1  0  0  0  0
 13 17  2  0  0  0  0
 13 19  1  0  0  0  0
 14 20  1  0  0  0  0
 15 23  1  0  0  0  0
 16 18  2  0  0  0  0
 16 24  1  0  0  0  0
 17 18  1  0  0  0  0
 17 25  1  0  0  0  0
 18 26  1  0  0  0  0
 20 27  1  0  0  0  0
 20 28  1  0  0  0  0
 20 29  1  0  0  0  0
M  END

$$$$
D01IJD
  -OEChem-10191521372D

 64 65  0     1  0  0  0  0  0999 V2000
    9.0877    4.9239    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3094   -1.9239    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5896    4.6043    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1249    2.9570    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3665    3.1639    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   10.1755    2.5761    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   10.9845    3.1639    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4154    2.8548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6755    4.1149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6755    4.1149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1755    1.5761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6723    3.5240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7212    3.2150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3094    1.0761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0415    1.0761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9781    3.8841    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1755   -0.4239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3094    0.0761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0415    0.0761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1755   -1.4239    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.0270    3.5751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0415   -1.9239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0415   -2.9239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2839    4.2442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9075   -3.4239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9075   -4.4239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3328    3.9352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7736   -4.9239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2335    2.3243    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4181    2.1902    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2945    2.6269    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5509    3.4160    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9268    2.4731    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7065    2.3074    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2819    4.2438    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6107    4.7315    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1608    3.9057    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3812    4.0714    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2326    2.8332    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0123    2.6675    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7725    1.3861    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5784    1.3861    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4666    4.2658    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6870    4.4315    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7725   -0.2339    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5784   -0.2339    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4393   -0.9989    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5384    3.1934    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   11.6521   -2.0316    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2536   -1.3413    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4309   -2.8163    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8295   -3.5065    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7724    4.6259    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9928    4.7916    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.5181   -3.5316    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.1196   -2.8413    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3094   -2.5439    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2969   -4.3163    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.6955   -5.0065    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.4636   -5.4609    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.3105   -5.2339    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.0836   -4.3870    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    4.4127    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  2  0  0  0  0
  2 20  1  0  0  0  0
  2 58  1  0  0  0  0
  3 27  1  0  0  0  0
  3 64  1  0  0  0  0
  4 27  2  0  0  0  0
  5  6  1  0  0  0  0
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  5 10  1  0  0  0  0
  5 29  1  0  0  0  0
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  7  9  1  0  0  0  0
  7 31  1  0  0  0  0
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 11 14  2  0  0  0  0
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 16 21  1  0  0  0  0
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 17 18  2  0  0  0  0
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 17 20  1  0  0  0  0
 18 45  1  0  0  0  0
 19 46  1  0  0  0  0
 20 22  1  0  0  0  0
 20 47  1  0  0  0  0
 21 24  1  0  0  0  0
 21 48  1  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
 22 51  1  0  0  0  0
 23 25  1  0  0  0  0
 23 52  1  0  0  0  0
 23 53  1  0  0  0  0
 24 27  1  0  0  0  0
 24 54  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
 25 57  1  0  0  0  0
 26 28  1  0  0  0  0
 26 59  1  0  0  0  0
 26 60  1  0  0  0  0
 28 61  1  0  0  0  0
 28 62  1  0  0  0  0
 28 63  1  0  0  0  0
M  END

$$$$
D01IJX
  -OEChem-10101305022D

 28 30  0     0  0  0  0  0  0999 V2000
    5.4873   -2.8242    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.8090    1.4806    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3090    3.0194    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6750   -0.0194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6750   -1.0194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8090    0.4806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5411   -1.5194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5411   -2.5194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8090   -1.5194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4873   -1.2147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6750   -3.0194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8090   -2.5194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6180    2.0684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.3090    3.0194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2856   -0.1271    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    5.6799   -0.6254    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6734    3.5210    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
  1 15  1  0  0  0  0
  2  6  1  0  0  0  0
  2 13  1  0  0  0  0
  2 14  1  0  0  0  0
  3 14  2  0  0  0  0
  3 16  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4 17  1  0  0  0  0
  4 18  1  0  0  0  0
  5  7  2  0  0  0  0
  5  9  1  0  0  0  0
  6 19  1  0  0  0  0
  6 20  1  0  0  0  0
  7  8  1  0  0  0  0
  7 10  1  0  0  0  0
  8 11  2  0  0  0  0
  9 12  2  0  0  0  0
  9 21  1  0  0  0  0
 10 15  2  0  0  0  0
 10 22  1  0  0  0  0
 11 12  1  0  0  0  0
 11 23  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 26  1  0  0  0  0
 15 27  1  0  0  0  0
 16 28  1  0  0  0  0
M  END

$$$$
D01ILH
  -OEChem-10101305022D

 48 48  0     1  0  0  0  0  0999 V2000
   10.6603    1.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282   -1.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603   -2.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.3923   -1.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    1.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.3923    2.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603   -1.0000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.7942   -0.5000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   11.5263   -0.5000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.5263    0.5000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.7942    0.5000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.3923    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -1.0000    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
    3.7320   -1.0000    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
    2.0000   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1972   -1.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2573   -0.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.0632   -0.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5263    1.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2573    0.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.6044    0.4174    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.0029    1.1077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    6.7976   -1.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    5.9316   -0.0251    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1972   -2.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.9292   -0.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0656   -1.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    8.9282    1.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   12.9292    2.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    1.4631   -1.3100    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
  1 11  1  0  0  0  0
  8  2  1  1  0  0  0
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  3 34  1  0  0  0  0
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 11  5  1  6  0  0  0
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  7 21  1  0  0  0  0
  8 11  1  0  0  0  0
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 10 12  1  6  0  0  0
 10 24  1  0  0  0  0
 11 25  1  0  0  0  0
 12 26  1  0  0  0  0
 12 27  1  0  0  0  0
 13 14  1  0  0  0  0
 13 28  1  0  0  0  0
 13 29  1  0  0  0  0
 14 15  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 17  1  0  0  0  0
 16 36  1  0  0  0  0
 16 37  1  0  0  0  0
 17 18  1  0  0  0  0
 17 38  1  0  0  0  0
 17 39  1  0  0  0  0
 18 19  1  0  0  0  0
 18 41  1  0  0  0  0
 18 42  1  0  0  0  0
 19 20  1  0  0  0  0
 19 44  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
 20 48  1  0  0  0  0
M  END

$$$$
D01ILN
  -OEChem-10101305022D

 38 41  0     0  0  0  0  0  0999 V2000
    5.4641   -1.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2241    1.0347    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.1301   -0.5208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2125   -2.0346    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.9942    1.0241    0.0000 N   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
    4.5981    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
    3.7320    1.0000    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    0.5000    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
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    7.2241   -1.0347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0000    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0000    2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.2690   -2.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8660   -3.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    1.4631    0.6900    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
    1.4631    2.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7458   -2.3508    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6720   -2.3384    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5323    0.7162    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9918    1.6442    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  2  0  0  0  0
  1 11  1  0  0  0  0
  2  8  2  0  0  0  0
  2 12  1  0  0  0  0
  3 12  2  0  0  0  0
  3 22  1  0  0  0  0
  4 17  1  0  0  0  0
  4 22  2  0  0  0  0
  5 17  1  0  0  0  0
  5 35  1  0  0  0  0
  5 36  1  0  0  0  0
  6 22  1  0  0  0  0
  6 37  1  0  0  0  0
  6 38  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  8 10  1  0  0  0  0
  9 13  2  0  0  0  0
  9 14  1  0  0  0  0
 10 15  2  0  0  0  0
 10 16  1  0  0  0  0
 11 12  1  0  0  0  0
 11 17  2  0  0  0  0
 13 18  1  0  0  0  0
 13 25  1  0  0  0  0
 14 19  2  0  0  0  0
 14 26  1  0  0  0  0
 15 20  1  0  0  0  0
 15 27  1  0  0  0  0
 16 21  2  0  0  0  0
 16 28  1  0  0  0  0
 18 23  2  0  0  0  0
 18 29  1  0  0  0  0
 19 23  1  0  0  0  0
 19 30  1  0  0  0  0
 20 24  2  0  0  0  0
 20 31  1  0  0  0  0
 21 24  1  0  0  0  0
 21 32  1  0  0  0  0
 23 33  1  0  0  0  0
 24 34  1  0  0  0  0
M  END

$$$$
D01ILO
  -OEChem-10101305022D

 12 12  0     0  0  0  0  0  0999 V2000
    2.8090   -0.6056    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6180   -0.0178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4336    0.2344    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -0.5547    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3738    1.5499    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7026    1.0622    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6980   -0.9333    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0298    0.0880    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  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  6  1  0  0  0  0
  3 11  1  0  0  0  0
  3 12  1  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  9  1  0  0  0  0
  5 10  1  0  0  0  0
M  END

$$$$
D01ILT
  -OEChem-04152122252D

 58 60  0     0  0  0  0  0  0999 V2000
    4.0276    1.0369    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.7690    7.0092    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.2690    6.1432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0010    6.1432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8671    6.6432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.1765    4.7979    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1  4  1  0  0  0  0
  1  5  2  0  0  0  0
  1  6  2  0  0  0  0
  1 31  1  0  0  0  0
  2 15  1  0  0  0  0
  2 51  1  0  0  0  0
  3 16  1  0  0  0  0
  3 52  1  0  0  0  0
  4 58  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 34  1  0  0  0  0
  8 15  1  0  0  0  0
  8 16  1  0  0  0  0
  8 18  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 11  1  0  0  0  0
 10 17  2  0  0  0  0
 11 14  1  0  0  0  0
 11 22  2  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
 13 21  1  0  0  0  0
 14 23  2  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
 18 40  1  0  0  0  0
 18 41  1  0  0  0  0
 18 42  1  0  0  0  0
 19 20  1  0  0  0  0
 19 25  2  0  0  0  0
 20 24  1  0  0  0  0
 20 28  2  0  0  0  0
 21 24  2  0  0  0  0
 21 43  1  0  0  0  0
 22 26  1  0  0  0  0
 22 44  1  0  0  0  0
 23 27  1  0  0  0  0
 23 45  1  0  0  0  0
 24 46  1  0  0  0  0
 25 29  1  0  0  0  0
 25 47  1  0  0  0  0
 26 27  2  0  0  0  0
 26 48  1  0  0  0  0
 27 49  1  0  0  0  0
 28 30  1  0  0  0  0
 28 50  1  0  0  0  0
 29 30  2  0  0  0  0
 29 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
 31 57  1  0  0  0  0
M  END

$$$$
D01IMJ
  -OEChem-10101305032D

 25 26  0     0  0  0  0  0  0999 V2000
    4.5411    1.6639    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.0761    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.0761    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9230    1.6639    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.4239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.0761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.4239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2320    2.6149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.9239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.9239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2320    2.6149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.9239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.2690   -1.6139    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.2798    3.9255    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1427    3.0595    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8660   -4.0439    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  7  2  0  0  0  0
  3  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3 16  1  0  0  0  0
  4  6  2  0  0  0  0
  4  8  1  0  0  0  0
  5  7  1  0  0  0  0
  5  9  2  0  0  0  0
  5 10  1  0  0  0  0
  8 11  2  0  0  0  0
  8 14  1  0  0  0  0
  9 12  1  0  0  0  0
  9 17  1  0  0  0  0
 10 13  2  0  0  0  0
 10 18  1  0  0  0  0
 11 19  1  0  0  0  0
 12 15  2  0  0  0  0
 12 23  1  0  0  0  0
 13 15  1  0  0  0  0
 13 24  1  0  0  0  0
 14 20  1  0  0  0  0
 14 21  1  0  0  0  0
 14 22  1  0  0  0  0
 15 25  1  0  0  0  0
M  END

$$$$
D01IPF
  -OEChem-10101305022D

 39 41  0     0  0  0  0  0  0999 V2000
   10.6363    0.4328    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -1.2844    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6793   -1.5891    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.9900    0.9709    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.2629   -0.7844    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331   -0.2844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331   -1.2844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -1.2844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6793    0.0204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -1.7844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    0.2156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -0.2844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -1.7844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2791    2.1276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2576    2.3338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9685    1.1771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -1.2844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -2.7844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5683    3.2844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -1.7844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.4030   -2.7844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -2.4044    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    8.8719   -2.1784    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2586    2.7473    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   11.2782    1.7142    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8715    2.2465    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -0.6644    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6720   -3.0944    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.1576    3.0918    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7609    3.8737    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9790    3.4770    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -3.9044    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.0944    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.5944    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 16  2  0  0  0  0
  2 20  1  0  0  0  0
  2 39  1  0  0  0  0
  3  5  1  0  0  0  0
  3  7  1  0  0  0  0
  3 26  1  0  0  0  0
  4  9  1  0  0  0  0
  4 16  1  0  0  0  0
  4 29  1  0  0  0  0
  5  9  2  0  0  0  0
  6  7  2  0  0  0  0
  6  9  1  0  0  0  0
  6 11  1  0  0  0  0
  7 10  1  0  0  0  0
  8 10  2  0  0  0  0
  8 12  1  0  0  0  0
  8 13  1  0  0  0  0
 10 23  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 17  2  0  0  0  0
 13 18  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 14 27  1  0  0  0  0
 14 28  1  0  0  0  0
 15 19  1  0  0  0  0
 15 30  1  0  0  0  0
 15 31  1  0  0  0  0
 17 20  1  0  0  0  0
 17 32  1  0  0  0  0
 18 21  2  0  0  0  0
 18 33  1  0  0  0  0
 19 34  1  0  0  0  0
 19 35  1  0  0  0  0
 19 36  1  0  0  0  0
 20 22  2  0  0  0  0
 21 22  1  0  0  0  0
 21 37  1  0  0  0  0
 22 38  1  0  0  0  0
M  END

$$$$
D01IPS
  -OEChem-10101305032D

 38 40  0     1  0  0  0  0  0999 V2000
    9.3412    2.4346    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
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    4.2686    1.1746    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0000   -0.3925    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1512    3.0210    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9276    1.6246    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7548    3.2446    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8660   -1.8924    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    5.2686    1.1728    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.8578    1.9808    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.8083    1.6702    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.6183    2.2566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.5981   -1.8924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.2926   -0.0764    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9861    0.6209    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2456    2.0789    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3602    1.3877    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    6.7479   -1.3924    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    5.7369   -2.7865    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.3291   -2.2024    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7172    2.7678    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6744    1.0586    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1  8  1  0  0  0  0
  1  9  1  0  0  0  0
  1 10  2  0  0  0  0
  2 15  1  0  0  0  0
  2 18  1  0  0  0  0
 16  3  1  6  0  0  0
  3 32  1  0  0  0  0
 17  4  1  6  0  0  0
  4 33  1  0  0  0  0
  5 19  1  0  0  0  0
  6 23  2  0  0  0  0
  7 24  2  0  0  0  0
  8 37  1  0  0  0  0
  9 38  1  0  0  0  0
 15 11  1  1  0  0  0
 11 20  1  0  0  0  0
 11 21  2  0  0  0  0
 12 21  1  0  0  0  0
 12 22  1  0  0  0  0
 12 34  1  0  0  0  0
 13 20  1  0  0  0  0
 13 24  1  0  0  0  0
 13 35  1  0  0  0  0
 14 23  1  0  0  0  0
 14 24  1  0  0  0  0
 14 36  1  0  0  0  0
 15 16  1  0  0  0  0
 15 25  1  0  0  0  0
 16 17  1  0  0  0  0
 16 26  1  0  0  0  0
 17 18  1  0  0  0  0
 17 27  1  0  0  0  0
 18 19  1  1  0  0  0
 18 28  1  0  0  0  0
 19 29  1  0  0  0  0
 19 30  1  0  0  0  0
 20 22  2  0  0  0  0
 21 31  1  0  0  0  0
 22 23  1  0  0  0  0
M  CHG  1  11   1
M  END

$$$$
D01IRO
  -OEChem-04152110062D

 33 35  0     0  0  0  0  0  0999 V2000
    3.4030   -4.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    4.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    3.2500    0.0000 N   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
    4.2690    1.2500    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
    3.4030    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1629   -0.2847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1629    1.7847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0690    0.2292    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   -1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0690    1.2708    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   -2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -2.7500    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
    2.0000   -0.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1558   -0.9046    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1558    2.4046    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8059   -1.4400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.4400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6047   -0.0829    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6047    1.5829    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9399    3.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8059   -3.0600    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
    2.8660   -4.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    4.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 20  1  0  0  0  0
  1 32  1  0  0  0  0
  2  3  1  0  0  0  0
  2 33  1  0  0  0  0
  3 17  2  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4 10  2  0  0  0  0
  5  7  1  0  0  0  0
  5  9  2  0  0  0  0
  6  8  1  0  0  0  0
  6 12  2  0  0  0  0
  7 14  2  0  0  0  0
  7 15  1  0  0  0  0
  8 11  2  0  0  0  0
  8 17  1  0  0  0  0
  9 11  1  0  0  0  0
  9 21  1  0  0  0  0
 10 13  1  0  0  0  0
 10 22  1  0  0  0  0
 11 23  1  0  0  0  0
 12 16  1  0  0  0  0
 12 24  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 25  1  0  0  0  0
 15 19  2  0  0  0  0
 15 26  1  0  0  0  0
 16 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
M  END

$$$$
D01ISX
  -OEChem-10101305032D

 37 38  0     0  0  0  0  0  0999 V2000
    6.1808    3.6962    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.4782   -4.7983    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.5827   -1.8038    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1808    3.6962    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1808    3.6962    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3147   -1.8038    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1808    4.6962    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1808   -0.3038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1808    0.6962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3147   -0.8038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0468    1.1962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3147    1.1962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1808    2.6962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0468    2.1962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.4487   -3.3038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4487   -2.3038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5827   -3.8038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6691   -3.3970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -4.1402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5000   -5.0062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3928   -0.8864    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7913   -0.1961    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1027   -0.2212    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7042   -0.9114    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5837    0.8862    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7778    0.8862    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8517   -2.1138    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5837    2.5062    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7778    2.5062    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6608   -3.8864    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0593   -3.1961    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5402   -2.7906    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7177    5.0062    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6438    5.0062    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3834   -4.0754    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2478   -5.5726    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 13  1  0  0  0  0
  2 18  1  0  0  0  0
  2 21  1  0  0  0  0
  3 17  2  0  0  0  0
  6 10  1  0  0  0  0
  6 17  1  0  0  0  0
  6 28  1  0  0  0  0
  7 34  1  0  0  0  0
  7 35  1  0  0  0  0
  8  9  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 11  2  0  0  0  0
  9 12  1  0  0  0  0
 10 24  1  0  0  0  0
 10 25  1  0  0  0  0
 11 14  1  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 14  2  0  0  0  0
 13 15  1  0  0  0  0
 14 29  1  0  0  0  0
 15 30  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 16 31  1  0  0  0  0
 16 32  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 19 33  1  0  0  0  0
 20 21  2  0  0  0  0
 20 36  1  0  0  0  0
 21 37  1  0  0  0  0
M  END

$$$$
D01IUB
  -OEChem-04152109452D

 55 54  0     1  0  0  0  0  0999 V2000
   11.1972    1.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -3.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991   -1.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.5273    3.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.6613    1.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0632    3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9292    2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1972    2.7500    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   13.7953    3.2500    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
    3.4030   -2.7500    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.7331   -1.2500    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   14.6613    2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.3312    3.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   10.6603    1.4400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   10.0021    1.4400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  8  1  1  6  0  0  0
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 11  2  1  1  0  0  0
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 12  3  1  6  0  0  0
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 18 43  1  0  0  0  0
 19 24  2  0  0  0  0
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 21 48  1  0  0  0  0
 22 23  1  0  0  0  0
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 23 50  1  0  0  0  0
 24 25  1  0  0  0  0
 24 51  1  0  0  0  0
 25 52  1  0  0  0  0
M  END

$$$$
D01IUI
  -OEChem-10101305022D

 53 55  0     0  0  0  0  0  0999 V2000
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 25 50  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
M  END

$$$$
D01IWD
  -OEChem-10101305022D

 46 50  0     1  0  0  0  0  0999 V2000
    2.4576    1.8514    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   11.0283    0.7026    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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 23 24  2  0  0  0  0
 23 45  1  0  0  0  0
 24 46  1  0  0  0  0
M  END

$$$$
D01IZN
  -OEChem-10101305022D

143146  0     1  0  0  0  0  0999 V2000
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M  END

$$$$
D01JCH
  -OEChem-10191522352D

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M  END

$$$$
D01JCJ
  -OEChem-10101305022D

 36 37  0     0  0  0  0  0  0999 V2000
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M  END

$$$$
D01JEO
  CDK    8/10/10,12:22

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M  ENDM  END

$$$$
D01JEX
  -OEChem-10101305022D

 34 38  0     0  0  0  0  0  0999 V2000
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  5  9  2  0  0  0  0
  6  7  1  0  0  0  0
  6 12  2  0  0  0  0
  8 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 15  2  0  0  0  0
 11 16  2  0  0  0  0
 12 13  1  0  0  0  0
 12 26  1  0  0  0  0
 13 14  1  0  0  0  0
 13 17  2  0  0  0  0
 14 18  2  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 21  1  0  0  0  0
 17 29  1  0  0  0  0
 18 22  1  0  0  0  0
 18 30  1  0  0  0  0
 19 20  2  0  0  0  0
 19 31  1  0  0  0  0
 20 32  1  0  0  0  0
 21 22  2  0  0  0  0
 21 33  1  0  0  0  0
 22 34  1  0  0  0  0
M  END

$$$$
D01JFF
  -OEChem-10191522492D

 29 30  0     0  0  0  0  0  0999 V2000
    4.5981   -3.7500    0.0000 Cl  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
    6.3301    0.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.2500    0.0000 N   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
    3.7320   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.2500    0.0000 C   0  0  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
    5.4641   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.7500    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    2.2500    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
    5.4641    3.7500    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
    2.0000   -2.2500    0.0000 C   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
    6.0010   -0.9400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0611    0.5600    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
    6.8671    1.9400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    3.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    4.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0611    3.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   -1.7131    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -1.9400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -2.7869    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
  2  8  1  0  0  0  0
  2 18  1  0  0  0  0
  3 12  2  0  0  0  0
  4  6  1  0  0  0  0
  4 12  1  0  0  0  0
  4 21  1  0  0  0  0
  5 13  1  0  0  0  0
  5 17  2  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 19  1  0  0  0  0
  8 10  2  0  0  0  0
  9 11  2  0  0  0  0
  9 20  1  0  0  0  0
 10 11  1  0  0  0  0
 11 22  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
 14 23  1  0  0  0  0
 15 16  2  0  0  0  0
 15 24  1  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
 18 28  1  0  0  0  0
 18 29  1  0  0  0  0
M  END

$$$$
D01JGB
  -OEChem-10101305032D

 42 43  0     0  0  0  0  0  0999 V2000
    3.4810   -0.8104    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8552   -1.8648    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6462   -3.3210    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7071    0.9068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7071    0.9068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4142    1.6139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.6139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4142    2.6139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7071    3.3210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.6139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7071    3.3210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0898   -0.0171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0812   -0.1476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4639   -1.0715    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4554   -1.2020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8637   -1.7343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8380   -2.1259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8295   -2.2564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2550   -2.5277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3626    0.3913    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7242    1.0770    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0131    1.7744    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1702    0.5968    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8676    0.3079    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0131    2.4534    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7242    3.1508    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4011    1.7744    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900    1.0770    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2440    3.6310    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5466    3.9199    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900    3.1508    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4011    2.4534    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8676    3.9199    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1702    3.6310    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4587    0.3443    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0607   -1.0678    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4283   -0.5826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2327   -2.2601    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8651   -2.7453    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7486   -2.8711    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4442   -2.3373    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9104   -1.6417    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  2  0  0  0  0
  1 16  1  0  0  0  0
  2 14  1  0  0  0  0
  2 16  2  0  0  0  0
  3 19  3  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4 12  1  0  0  0  0
  4 20  1  0  0  0  0
  5  7  1  0  0  0  0
  5 23  1  0  0  0  0
  5 24  1  0  0  0  0
  6  8  1  0  0  0  0
  6 21  1  0  0  0  0
  6 22  1  0  0  0  0
  7 10  1  0  0  0  0
  7 27  1  0  0  0  0
  7 28  1  0  0  0  0
  8  9  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 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 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 35  1  0  0  0  0
 14 15  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 19  1  0  0  0  0
 17 18  1  0  0  0  0
 17 38  1  0  0  0  0
 17 39  1  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
M  END

$$$$
D01JHA
  -OEChem-10101305022D

 52 53  0     0  0  0  0  0  0999 V2000
    2.5369    2.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    3.2500    0.0000 N   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   -1.7500    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
    4.2690    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2690   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2690   -0.7500    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
    6.0010   -3.7500    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
    6.0010   -4.7500    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    2.2500    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
    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
    3.4030    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
    3.4030    4.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6584   -1.6423    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0569   -2.3326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7456   -2.3577    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3471   -1.6674    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2690   -0.1300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6490   -0.7500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2690   -1.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2690   -1.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8890   -0.7500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8660    0.4400    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
    5.3905   -4.6423    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7890   -5.3326    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
    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
    2.0000    1.9400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    3.4400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6720    5.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1 14  1  0  0  0  0
  1 46  1  0  0  0  0
  2 19  1  0  0  0  0
  2 51  1  0  0  0  0
  2 52  1  0  0  0  0
  3  4  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 24  1  0  0  0  0
  4 25  1  0  0  0  0
  5  9  1  0  0  0  0
  5 26  1  0  0  0  0
  5 27  1  0  0  0  0
  6 11  2  0  0  0  0
  6 12  1  0  0  0  0
  7 31  1  0  0  0  0
  7 32  1  0  0  0  0
  7 33  1  0  0  0  0
  8 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 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 14  1  0  0  0  0
 11 38  1  0  0  0  0
 12 15  2  0  0  0  0
 12 39  1  0  0  0  0
 13 17  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
 15 16  1  0  0  0  0
 15 42  1  0  0  0  0
 16 18  1  0  0  0  0
 17 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  2  0  0  0  0
 19 21  2  0  0  0  0
 20 22  1  0  0  0  0
 20 47  1  0  0  0  0
 21 23  1  0  0  0  0
 21 48  1  0  0  0  0
 22 23  2  0  0  0  0
 22 49  1  0  0  0  0
 23 50  1  0  0  0  0
M  END

$$$$
D01JHR
  -OEChem-10101305022D

 46 46  0     1  0  0  0  0  0999 V2000
    5.7281   -0.4375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6261   -1.2381    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9086    1.2609    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7496    2.5481    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5323   -1.6735    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8381   -2.0336    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7601    0.2619    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2633    1.2098    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8940   -2.2381    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9511    0.8497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2601    1.8008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5691    0.8497    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.2601    1.8008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.3633    0.0407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 19  8  1  6  0  0  0
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 20 40  1  0  0  0  0
 22 23  1  0  0  0  0
 22 43  1  0  0  0  0
 22 44  1  0  0  0  0
M  END

$$$$
D01JID
  -OEChem-04152109212D

 56 59  0     0  0  0  0  0  0999 V2000
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   11.5872   -1.2426    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 27 45  1  0  0  0  0
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 28 48  1  0  0  0  0
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 29 51  1  0  0  0  0
 29 52  1  0  0  0  0
 29 53  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
M  END

$$$$
D01JJH
  -OEChem-10191521172D

 42 43  0     1  0  0  0  0  0999 V2000
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 21 42  1  0  0  0  0
M  END

$$$$
D01JJR
  -OEChem-10101305032D

 84 87  0     1  0  0  0  0  0999 V2000
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 47 79  1  0  0  0  0
 48 82  1  0  0  0  0
 48 83  1  0  0  0  0
 48 84  1  0  0  0  0
M  END

$$$$
D01JJV
  -OEChem-10101305022D

 43 46  0     0  0  0  0  0  0999 V2000
    5.4050   -0.0699    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1 15  2  0  0  0  0
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 10 27  1  0  0  0  0
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 20 21  1  0  0  0  0
 20 41  1  0  0  0  0
 21 42  1  0  0  0  0
M  END

$$$$
D01JMW
  -OEChem-10101305032D

 37 38  0     0  0  0  0  0  0999 V2000
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 16 35  1  0  0  0  0
 18 19  1  0  0  0  0
 18 36  1  0  0  0  0
 19 37  1  0  0  0  0
M  END

$$$$
D01JPJ
  -OEChem-04152111272D

 54 57  0     1  0  0  0  0  0999 V2000
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 23  9  1  1  0  0  0
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 27 28  2  0  0  0  0
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 31 46  1  0  0  0  0
 31 47  1  0  0  0  0
 31 48  1  0  0  0  0
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 32 50  1  0  0  0  0
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 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

$$$$
D01JQX
  -OEChem-04152110262D

 56 57  0     1  0  0  0  0  0999 V2000
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 22 54  1  0  0  0  0
 22 55  1  0  0  0  0
 22 56  1  0  0  0  0
M  END

$$$$
D01JSA
  -OEChem-10101305022D

113115  0     1  0  0  0  0  0999 V2000
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 49 50  1  0  0  0  0
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 50102  1  0  0  0  0
 53 54  1  0  0  0  0
 53107  1  0  0  0  0
 53108  1  0  0  0  0
 54 55  2  0  0  0  0
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 55109  1  0  0  0  0
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 56110  1  0  0  0  0
 57 59  2  0  0  0  0
 57111  1  0  0  0  0
 58 59  1  0  0  0  0
 58112  1  0  0  0  0
 59113  1  0  0  0  0
M  CHG  2   8  -1  19   1
M  END

$$$$
D01JTI
  -OEChem-10101305022D

 20 20  0     0  0  0  0  0  0999 V2000
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  1 12  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  8  1  0  0  0  0
  3  8  1  0  0  0  0
  4  8  1  0  0  0  0
  7 18  1  0  0  0  0
  7 19  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 10 12  1  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 14  2  0  0  0  0
 13 14  1  0  0  0  0
 13 17  1  0  0  0  0
 14 20  1  0  0  0  0
M  END

$$$$
D01JTY
  -OEChem-10101305022D

 46 48  0     0  0  0  0  0  0999 V2000
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    5.5069    4.2209    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 24  1  0  0  0  0
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  3  4  1  0  0  0  0
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  5 27  1  0  0  0  0
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 10 31  1  0  0  0  0
 11 18  1  0  0  0  0
 11 32  1  0  0  0  0
 11 33  1  0  0  0  0
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 12 34  1  0  0  0  0
 13 15  1  0  0  0  0
 14 17  1  0  0  0  0
 14 35  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  2  0  0  0  0
 16 38  1  0  0  0  0
 17 39  1  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
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 20 22  1  0  0  0  0
 20 43  1  0  0  0  0
 21 23  2  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
M  END

$$$$
D01JUI
  -OEChem-10101305022D

 37 39  0     0  0  0  0  0  0999 V2000
    8.0785    2.9476    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    8.9962    0.3922    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0785   -1.1215    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.9271   -2.6315    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.8105   -1.1416    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.4131    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    0.4131    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    1.4130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.0869    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.0869    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.4130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    1.9130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7320   -2.2070    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   10.3438   -1.4578    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1 16  1  0  0  0  0
  2 13  2  0  0  0  0
  2 20  1  0  0  0  0
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  3 22  2  0  0  0  0
  4 22  1  0  0  0  0
  4 34  1  0  0  0  0
  4 35  1  0  0  0  0
  5 22  1  0  0  0  0
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  6  9  1  0  0  0  0
  6 10  2  0  0  0  0
  6 11  1  0  0  0  0
  7  8  2  0  0  0  0
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  7 13  1  0  0  0  0
  8 12  1  0  0  0  0
  8 16  1  0  0  0  0
  9 14  2  0  0  0  0
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 10 23  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
 14 18  1  0  0  0  0
 14 26  1  0  0  0  0
 15 19  2  0  0  0  0
 15 27  1  0  0  0  0
 16 20  2  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 17 21  1  0  0  0  0
 18 28  1  0  0  0  0
 19 29  1  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  END

$$$$
D01JVG
  -OEChem-10101305022D

 31 33  0     0  0  0  0  0  0999 V2000
    4.0421   -0.2729    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.5832   -3.8606    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.1191   -3.8606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    3.9143    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8511   -0.8607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3511    0.6782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8511   -1.8606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7634    1.4872    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6602   -0.2729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3511    0.6782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9851   -2.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7172   -2.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1701    2.4008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7688    1.3827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  5  1  0  0  0  0
  1  6  1  0  0  0  0
  2 16  1  0  0  0  0
  3 15  1  0  0  0  0
  3 30  1  0  0  0  0
  4 20  1  0  0  0  0
  4 31  1  0  0  0  0
  5  7  1  0  0  0  0
  5  9  2  0  0  0  0
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  6 10  2  0  0  0  0
  7 11  2  0  0  0  0
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  8 13  2  0  0  0  0
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  9 10  1  0  0  0  0
  9 21  1  0  0  0  0
 10 22  1  0  0  0  0
 11 15  1  0  0  0  0
 11 23  1  0  0  0  0
 12 16  2  0  0  0  0
 12 24  1  0  0  0  0
 13 17  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
 15 19  2  0  0  0  0
 16 19  1  0  0  0  0
 17 20  2  0  0  0  0
 17 27  1  0  0  0  0
 18 20  1  0  0  0  0
 18 28  1  0  0  0  0
 19 29  1  0  0  0  0
M  END

$$$$
D01JVP
  -OEChem-10101305022D

 46 48  0     1  0  0  0  0  0999 V2000
    9.7942    1.7500    0.0000 I   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
    5.4641    0.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    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
    7.1962   -2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    0.2500    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   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    1.7500    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
    4.5981    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.4641    3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1 18  1  0  0  0  0
  2  6  1  0  0  0  0
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  7  3  1  6  0  0  0
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 10 31  1  0  0  0  0
 10 32  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
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 13 16  2  0  0  0  0
 13 35  1  0  0  0  0
 14 17  1  0  0  0  0
 14 19  2  0  0  0  0
 15 18  2  0  0  0  0
 15 36  1  0  0  0  0
 16 18  1  0  0  0  0
 16 37  1  0  0  0  0
 17 20  2  0  0  0  0
 19 21  1  0  0  0  0
 19 38  1  0  0  0  0
 20 22  1  0  0  0  0
 20 39  1  0  0  0  0
 21 22  2  0  0  0  0
 21 40  1  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
 23 43  1  0  0  0  0
 24 44  1  0  0  0  0
 24 45  1  0  0  0  0
 24 46  1  0  0  0  0
M  END

$$$$
D01JWT
  -OEChem-10101305022D

 53 55  0     0  0  0  0  0  0999 V2000
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    4.9889    3.4472    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   13.7619   -2.6382    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.3007   -2.1382    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    8.2619   -0.0401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7619   -0.9061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 26 53  1  0  0  0  0
M  END

$$$$
D01JXM
  BIDD-NUS20110812001D

 18 19  0  0  0  0  0  0  0  0999 V2000
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M  ENDM  END

$$$$
D01JYF
  -OEChem-10101305022D

 44 45  0     0  0  0  0  0  0999 V2000
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 22 44  1  0  0  0  0
M  END

$$$$
D01JYY
  -OEChem-10101305022D

 46 48  0     1  0  0  0  0  0999 V2000
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  1 10  2  0  0  0  0
  4  2  1  6  0  0  0
  2  8  1  0  0  0  0
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  3  7  1  0  0  0  0
  3 32  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4 23  1  0  0  0  0
  5  7  1  0  0  0  0
  5 24  1  0  0  0  0
  5 25  1  0  0  0  0
  6 26  1  0  0  0  0
  6 27  1  0  0  0  0
  7 28  1  0  0  0  0
  7 29  1  0  0  0  0
  8  9  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 12  1  0  0  0  0
  9 33  1  0  0  0  0
 10 13  1  0  0  0  0
 11 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
 12 39  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 40  1  0  0  0  0
 15 18  2  0  0  0  0
 15 41  1  0  0  0  0
 16 17  1  0  0  0  0
 16 19  2  0  0  0  0
 17 18  1  0  0  0  0
 17 20  2  0  0  0  0
 18 42  1  0  0  0  0
 19 21  1  0  0  0  0
 19 43  1  0  0  0  0
 20 22  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
M  END

$$$$
D01JZO
  -OEChem-10101305022D

 22 23  0     0  0  0  0  0  0999 V2000
    2.8660   -2.8512    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.6488    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3147    1.9852    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.1488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.1488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.3512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.8366    2.6433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6456    1.2421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.3512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8660   -1.8512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6540    1.7314    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    3.3758    3.0582    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    5.0669    3.4176    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  1  0  0  0  0
  2  4  1  0  0  0  0
  2  8  1  0  0  0  0
  2  9  1  0  0  0  0
  3  9  2  0  0  0  0
  3 12  1  0  0  0  0
  4  5  1  0  0  0  0
  4 14  1  0  0  0  0
  4 15  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  6 10  1  0  0  0  0
  6 16  1  0  0  0  0
  7 11  2  0  0  0  0
  7 17  1  0  0  0  0
  8 12  2  0  0  0  0
  8 18  1  0  0  0  0
  9 19  1  0  0  0  0
 10 13  2  0  0  0  0
 10 20  1  0  0  0  0
 11 13  1  0  0  0  0
 11 21  1  0  0  0  0
 12 22  1  0  0  0  0
M  END

$$$$
D01JZV
  -OEChem-10191521422D

 52 55  0     0  0  0  0  0  0999 V2000
   13.6648   -3.4081    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   15.6648   -3.4081    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.6648    1.7881    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.0812    2.5928    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    9.6648    1.7881    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6648    0.0560    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6648    0.0560    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0812    0.9833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    2.7881    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.6648    0.0560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1648   -0.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1648    0.9221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1648    0.9221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.6648    0.0560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1648   -0.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1648    0.9221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6648   -1.6760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1648   -0.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.1648   -2.5420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6648   -1.6760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1648   -2.5420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6648    1.7881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.4030    1.2881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3548   -0.4809    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5822   -1.0220    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2725   -1.4206    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2725    1.5326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5822    1.1341    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.7474    1.1341    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.0572    1.5326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.0572   -1.4206    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.7474   -1.0220    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.2474    0.2681    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.5572    0.6666    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3548   -0.4809    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.0448   -1.6760    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.4748   -0.2731    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   16.2848   -1.6760    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1 21  1  0  0  0  0
  2 23  1  0  0  0  0
  3 20  1  0  0  0  0
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  4 25  1  0  0  0  0
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  9 51  1  0  0  0  0
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 10 11  1  0  0  0  0
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 11 14  1  0  0  0  0
 11 32  1  0  0  0  0
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 12 13  1  0  0  0  0
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 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
 15 40  1  0  0  0  0
 15 41  1  0  0  0  0
 16 18  2  0  0  0  0
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 17 20  1  0  0  0  0
 18 21  1  0  0  0  0
 18 43  1  0  0  0  0
 19 22  2  0  0  0  0
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 20 45  1  0  0  0  0
 20 46  1  0  0  0  0
 21 23  2  0  0  0  0
 22 23  1  0  0  0  0
 22 47  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
 27 48  1  0  0  0  0
 28 30  2  0  0  0  0
 28 49  1  0  0  0  0
 29 30  1  0  0  0  0
 30 50  1  0  0  0  0
M  END

$$$$
D01KAH
  -OEChem-10101305032D

 29 28  0     0  0  0  0  0  0999 V2000
    6.6210    3.3700    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.6200    1.6200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2181    5.1200    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0841    6.6200    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3521    3.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.4860    3.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2181    3.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4860    2.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2181    2.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3521    1.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2181    6.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.6200    0.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.6210    6.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1 29  1  0  0  0  0
  2  9  1  0  0  0  0
  2 14  1  0  0  0  0
  3  6  1  0  0  0  0
  3 12  2  0  0  0  0
  4 12  1  0  0  0  0
  4 27  1  0  0  0  0
  4 28  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  2  0  0  0  0
  5  8  1  0  0  0  0
  6 15  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
  8 10  2  0  0  0  0
  8 18  1  0  0  0  0
  9 11  2  0  0  0  0
 10 11  1  0  0  0  0
 10 19  1  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
 13 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
M  END

$$$$
D01KAM
  -OEChem-10101305022D

 38 40  0     0  0  0  0  0  0999 V2000
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    7.2125   -2.1092    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   11.5942    0.4596    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   12.4583    0.9629    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
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    3.7320    0.9254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.7263    0.9562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    2.4254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.2625   -0.0205    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    2.2354    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.1946    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1230    1.4327    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3259    1.4296    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    3.0454    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    0.6154    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7458   -2.4254    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    2.2354    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 14  1  0  0  0  0
  2 19  1  0  0  0  0
  3 12  1  0  0  0  0
  3 37  1  0  0  0  0
  4 15  2  0  0  0  0
  5  8  1  0  0  0  0
  5 22  1  0  0  0  0
  6  8  1  0  0  0  0
  7  8  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 13  2  0  0  0  0
 11 16  2  0  0  0  0
 11 18  1  0  0  0  0
 12 17  1  0  0  0  0
 13 14  1  0  0  0  0
 13 26  1  0  0  0  0
 14 17  2  0  0  0  0
 15 16  1  0  0  0  0
 16 28  1  0  0  0  0
 17 27  1  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 29  1  0  0  0  0
 19 30  1  0  0  0  0
 20 23  1  0  0  0  0
 20 31  1  0  0  0  0
 21 24  2  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
 23 25  2  0  0  0  0
 23 35  1  0  0  0  0
 24 25  1  0  0  0  0
 24 36  1  0  0  0  0
 25 38  1  0  0  0  0
M  CHG  2   6  -1   8   1
M  END

$$$$
D01KAX
  -OEChem-04152109372D

 27 28  0     1  0  0  0  0  0999 V2000
    2.5369    0.1867    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0812    0.3820    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6648    1.1867    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.6811   -1.7253    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3919   -0.5685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3704   -0.7747    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.1350    0.6867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    1.6867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0382   -0.0304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.1867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0812    1.9915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    2.1867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    0.6867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    1.6867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7781   -0.6559    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3713   -1.1882    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9771   -0.9026    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4997   -0.4445    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4523    0.4310    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5768    0.3836    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -0.4333    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2738    2.5808    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    2.8067    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2877   -1.8531    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2670   -2.1867    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.9967    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.4967    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  1  0  0  0  0
  1 27  1  0  0  0  0
  2  3  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
  6  4  1  6  0  0  0
  4 24  1  0  0  0  0
  4 25  1  0  0  0  0
  5  6  1  0  0  0  0
  5 15  1  0  0  0  0
  5 16  1  0  0  0  0
  6  9  1  0  0  0  0
  6 17  1  0  0  0  0
  7  8  2  0  0  0  0
  7 10  1  0  0  0  0
  8 11  1  0  0  0  0
  8 12  1  0  0  0  0
  9 18  1  0  0  0  0
  9 19  1  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 22  1  0  0  0  0
 12 14  2  0  0  0  0
 12 23  1  0  0  0  0
 13 14  1  0  0  0  0
 14 26  1  0  0  0  0
M  END

$$$$
D01KDQ
  -OEChem-10191522462D

 30 29  0     0  0  0  0  0  0999 V2000
    6.3301    0.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.0000    0.0000 N   0  3  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
    2.8660   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2320    0.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2320   -0.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.7320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.7320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9966    0.9749    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1996    0.9749    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7070   -1.2646    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7571    1.2646    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7070   -0.4675    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7571    0.4675    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4675   -0.9749    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2646   -0.9749    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0656   -0.4749    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8626   -0.4749    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951   -1.4220    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4220   -2.2690    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -2.0420    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    1.4220    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0420    2.2690    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951    2.0420    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100    0.5369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    0.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -0.5369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    0.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1 30  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3 11  1  0  0  0  0
  3 12  1  0  0  0  0
  4 10  1  0  0  0  0
  4 17  1  0  0  0  0
  4 18  1  0  0  0  0
  5  9  1  0  0  0  0
  5 14  1  0  0  0  0
  5 16  1  0  0  0  0
  6  8  1  0  0  0  0
  6 13  1  0  0  0  0
  6 15  1  0  0  0  0
  7 19  1  0  0  0  0
  7 20  1  0  0  0  0
  8 21  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
  9 26  1  0  0  0  0
 10 27  1  0  0  0  0
 10 28  1  0  0  0  0
 10 29  1  0  0  0  0
M  CHG  1   2   1
M  END

$$$$
D01KEE
  -OEChem-10101305032D

  4  3  0     0  0  0  0  0  0999 V2000
    3.4030    0.5600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    0.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -0.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
M  END

$$$$
D01KEH
  -OEChem-10101305022D

 43 43  0     1  0  0  0  0  0999 V2000
    9.6204   -2.6580    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9076   -1.4991    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5572    2.1975    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2617    0.6152    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6166    2.9097    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7976    1.1872    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4513   -1.5516    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.9513   -0.0128    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.9513   -0.0128    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.2603   -0.9638    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.6423   -0.9638    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5391    0.7963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3635    0.7963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9295   -1.7070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7703    1.7098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4526    1.2030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3690    0.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7812    1.5007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7867    1.3962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1989    2.2052    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.6056    3.1188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2044    2.1007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6698    0.5397    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3389   -0.1098    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1955   -1.5804    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0759   -0.7116    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3323   -1.5008    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4513   -2.1716    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4959    1.4147    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9293    0.3144    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3367    1.4576    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0224    2.2762    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2039    1.9620    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1168    0.1253    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0353   -3.1188    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0334    2.0671    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1236    2.4497    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5345    0.8298    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8345    2.7068    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1720    2.8666    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8578    3.6852    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0392    3.3710    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.8449    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 14  1  0  0  0  0
  1 35  1  0  0  0  0
  2 14  2  0  0  0  0
  3 16  1  0  0  0  0
  3 37  1  0  0  0  0
  4 16  2  0  0  0  0
  5 22  1  0  0  0  0
  5 43  1  0  0  0  0
  6 22  2  0  0  0  0
  7 10  1  0  0  0  0
  7 11  1  0  0  0  0
  7 28  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 12  1  6  0  0  0
  8 23  1  0  0  0  0
  9 11  1  0  0  0  0
  9 13  1  6  0  0  0
  9 24  1  0  0  0  0
 10 14  1  1  0  0  0
 10 25  1  0  0  0  0
 11 26  1  0  0  0  0
 11 27  1  0  0  0  0
 12 16  1  0  0  0  0
 12 29  1  0  0  0  0
 12 30  1  0  0  0  0
 13 15  1  0  0  0  0
 13 17  2  0  0  0  0
 15 31  1  0  0  0  0
 15 32  1  0  0  0  0
 15 33  1  0  0  0  0
 17 18  1  0  0  0  0
 17 34  1  0  0  0  0
 18 19  2  0  0  0  0
 18 36  1  0  0  0  0
 19 20  1  0  0  0  0
 19 38  1  0  0  0  0
 20 21  1  6  0  0  0
 20 22  1  0  0  0  0
 20 39  1  0  0  0  0
 21 40  1  0  0  0  0
 21 41  1  0  0  0  0
 21 42  1  0  0  0  0
M  END

$$$$
D01KIH
  -OEChem-10101305022D

 42 45  0     0  0  0  0  0  0999 V2000
    4.5981    1.1970    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.8030    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4103   -1.9982    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4103   -3.6077    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.6970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.6970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.3030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.3030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.1970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.8030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -2.3030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.6970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.3030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -3.3030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.3030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -3.8030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    3.6970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    2.1970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9939   -2.8030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    4.1970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.6970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    3.6970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5200    1.2796    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1215    0.5894    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0747    0.5894    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6762    1.2796    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1215   -0.1953    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5200   -0.8856    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6762   -0.8856    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8101    2.7796    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.2690    4.0070    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.5770    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6029   -4.1970    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8660    4.8170    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    2.3870    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    4.0070    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1  6  1  0  0  0  0
  1  9  1  0  0  0  0
  2  7  1  0  0  0  0
  2  8  1  0  0  0  0
  2 10  1  0  0  0  0
  3 11  1  0  0  0  0
  3 19  2  0  0  0  0
  4 14  1  0  0  0  0
  4 19  1  0  0  0  0
  4 38  1  0  0  0  0
  5  7  1  0  0  0  0
  5 25  1  0  0  0  0
  5 26  1  0  0  0  0
  6  8  1  0  0  0  0
  6 23  1  0  0  0  0
  6 24  1  0  0  0  0
  7 29  1  0  0  0  0
  7 30  1  0  0  0  0
  8 27  1  0  0  0  0
  8 28  1  0  0  0  0
  9 12  1  0  0  0  0
  9 31  1  0  0  0  0
  9 32  1  0  0  0  0
 10 11  1  0  0  0  0
 10 13  2  0  0  0  0
 11 14  2  0  0  0  0
 12 17  2  0  0  0  0
 12 18  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
 15 16  2  0  0  0  0
 15 34  1  0  0  0  0
 16 35  1  0  0  0  0
 17 20  1  0  0  0  0
 17 36  1  0  0  0  0
 18 21  2  0  0  0  0
 18 37  1  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
 22 42  1  0  0  0  0
M  END

$$$$
D01KJU
  -OEChem-10101305032D

 30 32  0     0  0  0  0  0  0999 V2000
    8.6155   -2.2673    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   10.3972   -1.2568    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    2.2673    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    0.2673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    0.2673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331   -0.7327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    0.7673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    0.7673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -0.7327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -1.2327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6270    0.8020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6270   -1.2674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5331   -0.7535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5331    0.2881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    1.7673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.2673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    2.2673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    0.7673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.8671    1.3873    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.0427    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    8.6199    1.4219    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0688    0.6002    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6720    2.0773    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -0.3527    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    2.8873    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.4573    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9353   -0.9489    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.9573    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  1  0  0  0  0
  2 13  1  0  0  0  0
  2 29  1  0  0  0  0
  3 19  1  0  0  0  0
  3 30  1  0  0  0  0
  4  6  2  0  0  0  0
  4  7  1  0  0  0  0
  4 11  1  0  0  0  0
  5  7  2  0  0  0  0
  5  8  1  0  0  0  0
  5  9  1  0  0  0  0
  6 10  1  0  0  0  0
  6 12  1  0  0  0  0
  7 20  1  0  0  0  0
  8 15  2  0  0  0  0
  8 16  1  0  0  0  0
  9 10  2  0  0  0  0
  9 21  1  0  0  0  0
 10 22  1  0  0  0  0
 11 14  2  0  0  0  0
 11 23  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  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  2  0  0  0  0
 16 26  1  0  0  0  0
 17 19  2  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
M  END

$$$$
D01KKU
  -OEChem-10101305032D

 28 30  0     0  0  0  0  0  0999 V2000
    5.4641   -0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    2.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9942   -0.7742    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.7500    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
    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
    5.4641    1.2500    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
    7.2241    1.2847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2241   -0.7847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1301   -0.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8660   -0.2500    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
    2.0000   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.2500    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
    4.0611    1.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2169    1.9046    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2169   -1.4046    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6659    1.0829    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -2.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -0.4400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.8700    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
    9.5323   -0.4662    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1  6  1  0  0  0  0
  2  8  2  0  0  0  0
  3 12  1  0  0  0  0
  3 28  1  0  0  0  0
  4  5  2  0  0  0  0
  4  8  1  0  0  0  0
  4 10  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 14  2  0  0  0  0
  7 15  1  0  0  0  0
  8  9  1  0  0  0  0
  9 19  1  0  0  0  0
 10 13  2  0  0  0  0
 10 20  1  0  0  0  0
 11 12  2  0  0  0  0
 11 21  1  0  0  0  0
 12 13  1  0  0  0  0
 13 22  1  0  0  0  0
 14 16  1  0  0  0  0
 14 23  1  0  0  0  0
 15 17  2  0  0  0  0
 15 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

$$$$
D01KLI
  -OEChem-10101305022D

 18 17  0     0  0  0  0  0  0999 V2000
    5.2690    5.1200    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.3100    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.5369    4.1200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2690    1.1200    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4030    2.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4030    3.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5369    2.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2690    2.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.5369    1.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4030    0.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    2.4300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    5.4810    3.5374    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8796    4.2277    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    0.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4030    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0000    2.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  2 18  1  0  0  0  0
  3  6  2  0  0  0  0
  4  8  1  0  0  0  0
  4 11  2  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5  8  2  0  0  0  0
  6  9  1  0  0  0  0
  7 10  2  0  0  0  0
  7 12  1  0  0  0  0
  8 13  1  0  0  0  0
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  9 15  1  0  0  0  0
 10 11  1  0  0  0  0
 10 16  1  0  0  0  0
 11 17  1  0  0  0  0
M  END

$$$$
D01KMI
  -OEChem-10191522392D

 51 53  0     0  0  0  0  0  0999 V2000
    6.3301    0.9827    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9561    2.4480    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 10 32  1  0  0  0  0
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 15 43  1  0  0  0  0
 15 44  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 20  1  0  0  0  0
 19 24  2  0  0  0  0
 19 45  1  0  0  0  0
 20 23  2  0  0  0  0
 21 22  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
 23 24  1  0  0  0  0
 23 50  1  0  0  0  0
 24 51  1  0  0  0  0
M  END

$$$$
D01KNZ
  -OEChem-10191521192D

 56 59  0     0  0  0  0  0  0999 V2000
    4.2690   -3.7500    0.0000 I  -2  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    3.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.3969    1.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.3969   -0.4821    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.3969    1.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    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
    7.8133    2.0547    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    2.5369   -2.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   10.8969    0.3840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.8969    0.3840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2131   -1.3326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   12.3143    0.1719    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.0046   -0.2266    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.0169   -0.4821    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 27  1  0  0  0  0
  2 15  2  0  0  0  0
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 10 12  1  0  0  0  0
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 18 21  1  0  0  0  0
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 24 28  2  0  0  0  0
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 25 30  1  0  0  0  0
 25 47  1  0  0  0  0
 26 31  2  0  0  0  0
 26 48  1  0  0  0  0
 27 29  2  0  0  0  0
 28 29  1  0  0  0  0
 28 49  1  0  0  0  0
 30 32  2  0  0  0  0
 30 50  1  0  0  0  0
 31 32  1  0  0  0  0
 31 51  1  0  0  0  0
 33 34  1  0  0  0  0
 33 54  1  0  0  0  0
 33 55  1  0  0  0  0
M  ISO  1   1 125
M  END

$$$$
D01KOI
  -OEChem-10101305022D

 21 22  0     0  0  0  0  0  0999 V2000
    4.2044    2.2367    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.7044   -3.3021    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8954    1.2857    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6166    3.0457    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7044    0.6979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8384   -0.8021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5704   -0.8021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8384   -1.8021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5704   -1.8021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5134    1.2857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7044   -2.3021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2044    2.2367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3014   -0.4921    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.3014   -2.1121    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1074   -2.1121    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8688    3.6121    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.9809    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2413   -3.6121    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 12  1  0  0  0  0
  2 21  1  0  0  0  0
  3  6  1  0  0  0  0
  3 13  2  0  0  0  0
  4 13  1  0  0  0  0
  4 19  1  0  0  0  0
  4 20  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  2  0  0  0  0
  5  8  1  0  0  0  0
  6 11  2  0  0  0  0
  7  9  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 12  2  0  0  0  0
  9 17  1  0  0  0  0
 10 12  1  0  0  0  0
 10 18  1  0  0  0  0
 11 16  1  0  0  0  0
M  END

$$$$
D01KOO
  -OEChem-10101305022D

 26 26  0     1  0  0  0  0  0999 V2000
    3.4118    0.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.8661   -0.6389    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3661    0.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3629    0.3090    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1028    0.9511    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    5.1060   -0.3601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  4  1  0  0  0  0
  1  5  2  0  0  0  0
  1  6  2  0  0  0  0
  1  7  1  0  0  0  0
  2  8  1  0  0  0  0
  2  9  1  0  0  0  0
  3  9  1  0  0  0  0
  3 10  1  0  0  0  0
  4 11  1  0  0  0  0
  7 25  1  0  0  0  0
  7 26  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
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 10 15  1  0  0  0  0
 10 16  1  0  0  0  0
 11 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
 12 21  1  0  0  0  0
 13 22  1  0  0  0  0
 13 23  1  0  0  0  0
 13 24  1  0  0  0  0
M  END

$$$$
D01KPN
  -OEChem-10191522022D

 64 66  0     1  0  0  0  0  0999 V2000
    8.5991   -0.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    2.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    3.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    4.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651    1.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    9.4651    3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3312    2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3312    1.7500    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
    9.4651    0.2500    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
    7.7331    4.2500    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
    6.0010    3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.3312   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.3312   -3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3312   -4.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 25 50  1  0  0  0  0
 26 51  1  0  0  0  0
 27 55  1  0  0  0  0
 27 56  1  0  0  0  0
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 28 52  1  0  0  0  0
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 30 58  1  0  0  0  0
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 30 60  1  0  0  0  0
 31 61  1  0  0  0  0
 31 62  1  0  0  0  0
 31 63  1  0  0  0  0
M  END

$$$$
D01KPX
  -OEChem-10101305032D

 50 53  0     0  0  0  0  0  0999 V2000
    7.1962   -4.5000    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
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    2.0000    4.5000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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 11 29  1  0  0  0  0
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 16 18  1  0  0  0  0
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 16 38  1  0  0  0  0
 17 21  2  0  0  0  0
 17 23  1  0  0  0  0
 18 22  2  0  0  0  0
 18 24  1  0  0  0  0
 19 20  1  0  0  0  0
 19 29  1  0  0  0  0
 21 25  1  0  0  0  0
 21 39  1  0  0  0  0
 22 26  1  0  0  0  0
 22 40  1  0  0  0  0
 23 27  2  0  0  0  0
 23 41  1  0  0  0  0
 24 28  2  0  0  0  0
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 25 30  2  0  0  0  0
 25 32  1  0  0  0  0
 26 31  2  0  0  0  0
 26 33  1  0  0  0  0
 27 30  1  0  0  0  0
 27 43  1  0  0  0  0
 28 31  1  0  0  0  0
 28 44  1  0  0  0  0
 30 45  1  0  0  0  0
 31 46  1  0  0  0  0
M  END

$$$$
D01KRQ
          01191100062D 1   1.00000     0.00000     0

 23 23  0     0  0            999 V2000
    2.4611    1.0250    0.0000 C   0  0  0  0  0  0           0  0  0
    2.4599    0.3143    0.0000 C   0  0  0  0  0  0           0  0  0
    3.0747   -0.0402    0.0000 C   0  0  0  0  0  0           0  0  0
    3.6870    0.3148    0.0000 C   0  0  0  0  0  0           0  0  0
    3.6841    1.0287    0.0000 C   0  0  0  0  0  0           0  0  0
    3.0729    1.3795    0.0000 C   0  0  0  0  0  0           0  0  0
    3.0767   -0.7459    0.0000 C   0  0  0  0  0  0           0  0  0
    2.4623   -1.1002    0.0000 C   0  0  0  0  0  0           0  0  0
    2.4629   -1.8079    0.0000 C   0  0  0  0  0  0           0  0  0
    3.0772   -2.1621    0.0000 N   0  0  0  0  0  0           0  0  0
    3.6922   -1.8034    0.0000 C   0  0  0  0  0  0           0  0  0
    3.6887   -1.0969    0.0000 C   0  0  0  0  0  0           0  0  0
    4.3015   -0.0376    0.0000 Cl  0  0  0  0  0  0           0  0  0
    3.0715    2.0878    0.0000 Cl  0  0  0  0  0  0           0  0  0
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    1.2354   -1.1004    0.0000 N   0  0  0  0  0  0           0  0  0
    1.8497   -2.1625    0.0000 C   0  0  0  0  0  0           0  0  0
    4.3073   -2.1546    0.0000 C   0  0  0  0  0  0           0  0  0
    4.3107   -2.8630    0.0000 O   0  0  0  0  0  0           0  0  0
    4.9191   -1.7976    0.0000 N   0  0  0  0  0  0           0  0  0
    5.5342   -2.1489    0.0000 C   0  0  0  0  0  0           0  0  0
    6.1958   -1.0625    0.0000 H   0  0  0  0  0  0           0  0  0
    6.9042   -1.0625    0.0000 Cl  0  0  0  0  0  0           0  0  0
 11 12  2  0     0  0
 12  7  1  0     0  0
  3  7  1  0     0  0
  5  6  2  0     0  0
  4 13  1  0     0  0
  6  1  1  0     0  0
  6 14  1  0     0  0
  2  3  1  0     0  0
  8 15  1  0     0  0
 15 16  1  0     0  0
  7  8  2  0     0  0
  9 17  1  0     0  0
  3  4  2  0     0  0
 11 18  1  0     0  0
  8  9  1  0     0  0
 18 19  2  0     0  0
  1  2  2  0     0  0
 18 20  1  0     0  0
  9 10  2  0     0  0
 20 21  1  0     0  0
  4  5  1  0     0  0
 10 11  1  0     0  0
 22 23  1  0     0  0
M  END

$$$$
D01KSR
  -OEChem-04152109472D

 26 28  0     0  0  0  0  0  0999 V2000
    2.0000   -1.3100    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.5443    0.4947    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.6900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1279   -0.3100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5443   -1.1147    0.0000 N   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
    4.5981   -0.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1279   -0.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1279   -0.3100    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
    3.7320   -1.3100    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
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    7.6279   -1.1760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1 15  1  0  0  0  0
  2  6  1  0  0  0  0
  2  8  1  0  0  0  0
  3 12  1  0  0  0  0
  3 25  1  0  0  0  0
  4 18  1  0  0  0  0
  4 26  1  0  0  0  0
  5  7  1  0  0  0  0
  5  8  2  0  0  0  0
  6  7  1  0  0  0  0
  6 10  2  0  0  0  0
  7 11  2  0  0  0  0
  8  9  1  0  0  0  0
  9 13  2  0  0  0  0
  9 14  1  0  0  0  0
 10 12  1  0  0  0  0
 10 19  1  0  0  0  0
 11 15  1  0  0  0  0
 11 20  1  0  0  0  0
 12 15  2  0  0  0  0
 13 16  1  0  0  0  0
 13 21  1  0  0  0  0
 14 17  2  0  0  0  0
 14 22  1  0  0  0  0
 16 18  2  0  0  0  0
 16 23  1  0  0  0  0
 17 18  1  0  0  0  0
 17 24  1  0  0  0  0
M  END

$$$$
D01KTM
  -OEChem-04152109022D

 48 51  0     1  0  0  0  0  0999 V2000
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    6.1945   -0.4645    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.2435    0.8445    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    7.1407    0.8402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 25 45  1  0  0  0  0
 26 46  1  0  0  0  0
 26 47  1  0  0  0  0
 26 48  1  0  0  0  0
M  END

$$$$
D01KVG
  -OEChem-10191522062D

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 28 58  1  0  0  0  0
 29 59  1  0  0  0  0
M  END

$$$$
D01KVT
  -OEChem-10101305032D

102104  0     1  0  0  0  0  0999 V2000
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 46 97  1  0  0  0  0
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 46 99  1  0  0  0  0
M  END

$$$$
D01KWU
  -OEChem-10101305032D

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M  END

$$$$
D01KYM
  -OEChem-10101305022D

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  1 11  2  0  0  0  0
  2 12  2  0  0  0  0
  5  3  1  1  0  0  0
  3 12  1  0  0  0  0
  3 25  1  0  0  0  0
  4 10  1  0  0  0  0
  4 11  1  0  0  0  0
  4 26  1  0  0  0  0
  5  6  1  0  0  0  0
  5 11  1  0  0  0  0
  5 16  1  0  0  0  0
  6  7  1  0  0  0  0
  6 17  1  0  0  0  0
  6 18  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 10  1  0  0  0  0
  8 21  1  0  0  0  0
  8 22  1  0  0  0  0
  9 12  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  1  0  0  0  0
 10 24  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
M  END

$$$$
D01KZF
  -OEChem-10101305032D

 33 35  0     1  0  0  0  0  0999 V2000
    2.0000   -2.2500    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    2.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8602   -0.7742    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.2500    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.4641    0.7500    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
    7.1962    0.7500    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
    7.1962   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0901    1.2847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0901   -0.7847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.2500    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
    8.9962   -0.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8660   -0.7500    0.0000 C   0  0  0  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
    2.8660   -1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7282   -0.2775    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2520    1.3326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8535    0.6423    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0829    1.9046    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0829   -1.4046    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -2.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5319    1.0829    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -0.4400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0361   -0.8156    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2663    0.0304    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4203    0.2606    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 19  1  0  0  0  0
  2  5  1  0  0  0  0
  2 10  1  0  0  0  0
  3  9  2  0  0  0  0
  4 15  1  0  0  0  0
  4 20  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  6  0  0  0
  5 21  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 13  2  0  0  0  0
  7 14  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  2  0  0  0  0
  8 11  1  0  0  0  0
 10 12  1  0  0  0  0
 11 16  2  0  0  0  0
 11 24  1  0  0  0  0
 12 15  2  0  0  0  0
 12 25  1  0  0  0  0
 13 17  1  0  0  0  0
 13 26  1  0  0  0  0
 14 18  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 19  2  0  0  0  0
 17 29  1  0  0  0  0
 18 19  1  0  0  0  0
 18 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
M  END

$$$$
D01LAU
  -OEChem-10191523052D

 37 38  0     0  0  0  0  0  0999 V2000
   11.3886    1.0366    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.3373    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.8373    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1424   -2.1421    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.7422    1.5747    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.3373    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.1424   -0.5326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -0.8373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4530    0.4179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -1.8373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7260   -1.3373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4315    0.6241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.3373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -2.3373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.8373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.8373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7207    1.7809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.8373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0314    2.7314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.8373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4325    1.0376    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8392    0.5053    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3460   -1.3373    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4521    0.0045    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0454    0.5368    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3350   -2.7314    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.2827    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -2.9573    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9272   -2.1473    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3281    2.0361    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.2827    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.6207    2.5388    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2240    3.3207    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4420    2.9240    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -0.3004    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -1.1473    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   -1.3743    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 17  2  0  0  0  0
  2 18  1  0  0  0  0
  2 20  1  0  0  0  0
  3 18  2  0  0  0  0
  4 10  1  0  0  0  0
  4 11  1  0  0  0  0
  4 26  1  0  0  0  0
  5 12  1  0  0  0  0
  5 17  1  0  0  0  0
  5 30  1  0  0  0  0
  6 15  1  0  0  0  0
  6 18  1  0  0  0  0
  6 31  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 11  2  0  0  0  0
  8 10  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
  9 22  1  0  0  0  0
 10 14  1  0  0  0  0
 11 23  1  0  0  0  0
 12 24  1  0  0  0  0
 12 25  1  0  0  0  0
 13 15  2  0  0  0  0
 13 27  1  0  0  0  0
 14 16  2  0  0  0  0
 14 28  1  0  0  0  0
 15 16  1  0  0  0  0
 16 29  1  0  0  0  0
 17 19  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 35  1  0  0  0  0
 20 36  1  0  0  0  0
 20 37  1  0  0  0  0
M  END

$$$$
D01LCS
  -OEChem-04152109262D

 45 48  0     0  0  0  0  0  0999 V2000
   10.5309   -1.6165    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5309   -1.6165    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9473    0.9203    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.9473   -0.6892    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    0.6155    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    2.1155    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.5309   -1.6165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1187   -2.4255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1187   -0.8075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0697   -2.1165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0697   -1.1165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0309   -0.7505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0309   -0.7505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5309    0.1155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5309    0.1155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5309    0.1155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0309    0.9816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0309    0.9816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    0.6155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -0.3845    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    1.1155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -0.8845    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.6155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -0.3845    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    1.1155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2494   -1.0641    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5817   -2.7355    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.3708   -2.9919    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.3708   -0.2411    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5817   -0.4975    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.1986   -2.7230    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.6863   -2.0517    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.6863   -1.1813    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.1986   -0.5101    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1509    0.1155    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7209    1.5185    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3409    1.5185    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1399    1.5096    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    1.7355    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -1.5045    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8409   -2.1534    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.6945    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.9255    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -0.0045    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    2.4255    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1 12  1  0  0  0  0
  2 13  1  0  0  0  0
  2 41  1  0  0  0  0
  3 16  1  0  0  0  0
  3 19  1  0  0  0  0
  3 38  1  0  0  0  0
  4 16  2  0  0  0  0
  4 20  1  0  0  0  0
  5 25  1  0  0  0  0
  5 43  1  0  0  0  0
  5 44  1  0  0  0  0
  6 25  2  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 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 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 13  1  0  0  0  0
 12 15  2  0  0  0  0
 13 14  2  0  0  0  0
 14 16  1  0  0  0  0
 14 17  1  0  0  0  0
 15 18  1  0  0  0  0
 15 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 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 39  1  0  0  0  0
 22 24  2  0  0  0  0
 22 40  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  1  0  0  0  0
 24 42  1  0  0  0  0
M  END

$$$$
D01LDO
  -OEChem-10101305022D

 30 29  0     1  0  0  0  0  0999 V2000
    3.4030   -0.0950    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -0.5950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9030    0.7710    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9030   -0.9610    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3312   -0.0950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651    1.4050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991   -1.0950    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    0.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -0.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -0.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    0.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991   -0.0950    0.0000 C   0  0  2  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
    6.3996    0.8799    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6025    0.8799    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4685   -0.5699    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2656   -0.5699    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7365   -0.5699    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5335   -0.5699    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1316    0.8799    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3346    0.8799    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6675    0.8799    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8705    0.8799    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -0.4050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1360   -1.4050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -1.4050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.2850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2130    1.3080    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8681    0.2150    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 12  1  0  0  0  0
  2 28  1  0  0  0  0
  3 29  1  0  0  0  0
  5 14  1  0  0  0  0
  5 30  1  0  0  0  0
  6 14  2  0  0  0  0
 13  7  1  6  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 15  1  0  0  0  0
  8 16  1  0  0  0  0
  9 11  1  0  0  0  0
  9 17  1  0  0  0  0
  9 18  1  0  0  0  0
 10 12  1  0  0  0  0
 10 19  1  0  0  0  0
 10 20  1  0  0  0  0
 11 13  1  0  0  0  0
 11 21  1  0  0  0  0
 11 22  1  0  0  0  0
 12 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
M  END

$$$$
D01LDQ
  -OEChem-10101305022D

 45 46  0     0  0  0  0  0  0999 V2000
   12.7270   -0.1550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991   -1.1550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3312    1.8450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.4541    1.6002    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -0.6550    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    0.8450    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.1972   -0.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651    0.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1972    0.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3312   -1.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651   -0.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3312    0.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991    0.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1434   -0.9597    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1434    0.6497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    0.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3312   -2.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    0.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    0.3450    0.0000 C   0  0  0  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
    6.8671    1.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991   -2.1550    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
    8.9976    1.3200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2006    1.3200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8924   -1.5266    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.6808   -1.2690    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331   -0.2750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7112   -2.1550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3312   -2.7750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9512   -2.1550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6025   -0.1299    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3996   -0.1299    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5335    1.3200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7365    1.3200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4871    1.8450    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    2.4650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2471    1.8450    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942    2.1550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9791   -2.1550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991   -2.7750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2191   -2.1550    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
    2.0000    0.6550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 15  1  0  0  0  0
  1 16  1  0  0  0  0
  2 12  1  0  0  0  0
  2 23  1  0  0  0  0
  3 13  1  0  0  0  0
  3 40  1  0  0  0  0
  4 16  2  0  0  0  0
  5 24  2  0  0  0  0
  6  7  1  0  0  0  0
  6 45  1  0  0  0  0
  7 24  1  0  0  0  0
  7 44  1  0  0  0  0
  8 10  1  0  0  0  0
  8 11  2  0  0  0  0
  8 15  1  0  0  0  0
  9 12  2  0  0  0  0
  9 13  1  0  0  0  0
  9 14  1  0  0  0  0
 10 13  2  0  0  0  0
 10 16  1  0  0  0  0
 11 12  1  0  0  0  0
 11 18  1  0  0  0  0
 14 17  1  0  0  0  0
 14 25  1  0  0  0  0
 14 26  1  0  0  0  0
 15 27  1  0  0  0  0
 15 28  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
 18 31  1  0  0  0  0
 18 32  1  0  0  0  0
 19 20  1  0  0  0  0
 19 22  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
 21 24  1  0  0  0  0
 21 35  1  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 41  1  0  0  0  0
 23 42  1  0  0  0  0
 23 43  1  0  0  0  0
M  END

$$$$
D01LEO
          07071101182D 1   1.00000     0.00000     0

 27 30  0     0  0            999 V2000
   -0.1306   -4.5000    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.1318   -5.2107    0.0000 C   0  0  0  0  0  0           0  0  0
    0.4831   -5.5652    0.0000 C   0  0  0  0  0  0           0  0  0
    0.4813   -4.1455    0.0000 C   0  0  0  0  0  0           0  0  0
    1.0925   -4.4963    0.0000 C   0  0  0  0  0  0           0  0  0
    1.0935   -5.2070    0.0000 C   0  0  0  0  0  0           0  0  0
    1.7086   -5.5599    0.0000 N   0  0  0  0  0  0           0  0  0
    2.3229   -5.2031    0.0000 C   0  0  0  0  0  0           0  0  0
    2.3184   -4.4897    0.0000 N   0  0  0  0  0  0           0  0  0
    1.7029   -4.1400    0.0000 C   0  0  0  0  0  0           0  0  0
    2.9363   -5.5542    0.0000 C   0  0  0  0  0  0           0  0  0
    2.9383   -6.2635    0.0000 C   0  0  0  0  0  0           0  0  0
    3.5526   -6.6148    0.0000 C   0  0  0  0  0  0           0  0  0
    4.1653   -6.2579    0.0000 C   0  0  0  0  0  0           0  0  0
    4.1599   -5.5459    0.0000 C   0  0  0  0  0  0           0  0  0
    3.5451   -5.1978    0.0000 C   0  0  0  0  0  0           0  0  0
    4.7705   -5.1869    0.0000 F   0  0  0  0  0  0           0  0  0
    1.6988   -3.4317    0.0000 N   0  0  0  0  0  0           0  0  0
    2.3101   -3.0739    0.0000 C   0  0  0  0  0  0           0  0  0
    2.9222   -3.4270    0.0000 C   0  0  0  0  0  0           0  0  0
    3.5331   -3.0699    0.0000 C   0  0  0  0  0  0           0  0  0
    3.5293   -2.3608    0.0000 C   0  0  0  0  0  0           0  0  0
    2.9095   -2.0104    0.0000 C   0  0  0  0  0  0           0  0  0
    2.3011   -2.3696    0.0000 C   0  0  0  0  0  0           0  0  0
    4.1484   -3.4207    0.0000 O   0  0  0  0  0  0           0  0  0
    4.7600   -3.0633    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.7440   -4.1457    0.0000 F   0  0  0  0  0  0           0  0  0
  3  6  2  0     0  0
 13 14  2  0     0  0
  6  7  1  0     0  0
 14 15  1  0     0  0
  1  2  2  0     0  0
 15 16  2  0     0  0
 16 11  1  0     0  0
  8 11  1  0     0  0
  7  8  2  0     0  0
 15 17  1  0     0  0
  5  4  2  0     0  0
 10 18  1  0     0  0
  8  9  1  0     0  0
 18 19  1  0     0  0
  4  1  1  0     0  0
 19 20  2  0     0  0
  9 10  2  0     0  0
 20 21  1  0     0  0
 10  5  1  0     0  0
 21 22  2  0     0  0
 22 23  1  0     0  0
  2  3  1  0     0  0
 23 24  2  0     0  0
 24 19  1  0     0  0
 11 12  2  0     0  0
 21 25  1  0     0  0
  5  6  1  0     0  0
 25 26  1  0     0  0
 12 13  1  0     0  0
  1 27  1  0     0  0
M  END

$$$$
D01LEP
  BIDD-NUS20110812001D

 13 14  0  0  0  0            999 V2000
   -0.5667   -1.7260    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5667   -0.9010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1477   -0.4885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1477    0.3365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5667    0.7490    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2812    0.3365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9957    0.7490    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2812   -0.4885    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8622   -0.9010    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5767   -0.4885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5767    0.3365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8622    0.7490    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8622    1.5740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  2  8  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  6  5  2  0  0  0  0
  6  8  1  0  0  0  0
  6  7  1  0  0  0  0
  3  9  1  0  0  0  0
 10  9  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
  4 12  1  0  0  0  0
 13 12  1  0  0  0  0
M  ENDM  END

$$$$
D01LEV
  -OEChem-10101305022D

 25 27  0     0  0  0  0  0  0999 V2000
    5.4449    2.5901    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.3264    1.1044    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.2619   -1.2924    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783   -2.0971    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.7924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783   -0.4877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.7924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2619   -1.2924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9889    0.4629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.2924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.2924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3211    1.2072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.7924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.7924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5307    2.1850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6655    2.6864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9212    2.0186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8709   -2.6864    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5956    0.5907    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.3276    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.9124    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -0.4824    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -2.1024    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6018    3.3032    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3150    2.1486    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 15  1  0  0  0  0
  2 12  1  0  0  0  0
  2 17  1  0  0  0  0
  3  8  2  0  0  0  0
  4  7  1  0  0  0  0
  4  8  1  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 10  2  0  0  0  0
  6  8  1  0  0  0  0
  6  9  2  0  0  0  0
  7 11  2  0  0  0  0
  9 12  1  0  0  0  0
  9 19  1  0  0  0  0
 10 13  1  0  0  0  0
 10 20  1  0  0  0  0
 11 14  1  0  0  0  0
 11 21  1  0  0  0  0
 12 15  2  0  0  0  0
 13 14  2  0  0  0  0
 13 22  1  0  0  0  0
 14 23  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 24  1  0  0  0  0
 17 25  1  0  0  0  0
M  END

$$$$
D01LFP
  -OEChem-10101305022D

 40 41  0     1  0  0  0  0  0999 V2000
    2.8660   -4.4050    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.5950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    3.0950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    4.0950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.0950    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    3.0950    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.5950    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.4641    1.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    1.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.0950    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   -0.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    1.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    2.5950    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
    8.0622    1.5950    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
    2.0000   -1.9050    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
    8.0622    2.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 21 38  1  0  0  0  0
 22 23  1  0  0  0  0
 22 39  1  0  0  0  0
M  END

$$$$
D01LKO
  -OEChem-10101305022D

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 47 84  1  0  0  0  0
M  END

$$$$
D01LMH
  -OEChem-10101305022D

321324  0     1  0  0  0  0  0999 V2000
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M  END

$$$$
D01LNP
          06211100062D 1   1.00000     0.00000     0

 33 32  0     0  0            999 V2000
    5.3042   -7.2209    0.0000 Sm  3  1  0  0  0  0           0  0  0
    2.7834   -6.8042    0.0000 P   0  0  3  0  0  0           0  0  0
    7.6834   -7.5584    0.0000 P   0  0  3  0  0  0           0  0  0
    3.8209   -8.9959    0.0000 P   0  0  3  0  0  0           0  0  0
    6.6459   -5.3459    0.0000 P   0  0  3  0  0  0           0  0  0
    6.4334   -7.5209    0.0000 N   0  0  3  0  0  0           0  0  0
    4.0084   -6.8084    0.0000 N   0  0  3  0  0  0           0  0  0
    5.5709   -5.9584    0.0000 N   0  0  3  0  0  0           0  0  0
    4.8709   -8.3709    0.0000 N   0  0  3  0  0  0           0  0  0
    3.3959   -6.4417    0.0000 C   0  0  0  0  0  0           0  0  0
    5.9292   -5.3334    0.0000 C   0  0  0  0  0  0           0  0  0
    4.5459   -8.9959    0.0000 C   0  0  0  0  0  0           0  0  0
    7.0542   -7.8834    0.0000 C   0  0  0  0  0  0           0  0  0
    7.3209   -6.9459    0.0000 O   0  0  0  0  0  0           0  0  0
    6.6459   -6.0542    0.0000 O   0  0  0  0  0  0           0  0  0
    3.1334   -7.4167    0.0000 O   0  0  0  0  0  0           0  0  0
    3.8167   -8.2917    0.0000 O   0  0  0  0  0  0           0  0  0
    8.0334   -6.9459    0.0000 O   0  5  0  0  0  0           0  0  0
    3.4834   -9.6292    0.0000 O   0  5  0  0  0  0           0  0  0
    7.2584   -5.6959    0.0000 O   0  0  0  0  0  0           0  0  0
    2.1667   -6.4542    0.0000 O   0  0  0  0  0  0           0  0  0
    2.4292   -7.4167    0.0000 O   0  0  0  0  0  0           0  0  0
    8.2834   -7.9209    0.0000 O   0  5  0  0  0  0           0  0  0
    7.0084   -4.7334    0.0000 O   0  0  0  0  0  0           0  0  0
    3.2042   -8.6459    0.0000 O   0  0  0  0  0  0           0  0  0
    4.7292   -7.6792    0.0000 C   0  0  0  0  0  0           0  0  0
    6.4459   -6.8084    0.0000 C   0  0  0  0  0  0           0  0  0
    5.7334   -6.6459    0.0000 C   0  0  0  0  0  0           0  0  0
    5.7459   -7.6834    0.0000 C   0  0  0  0  0  0           0  0  0
    4.8709   -5.9584    0.0000 C   0  0  0  0  0  0           0  0  0
    4.7042   -6.6417    0.0000 C   0  0  0  0  0  0           0  0  0
    5.5959   -8.3709    0.0000 C   0  0  0  0  0  0           0  0  0
    4.0167   -7.5167    0.0000 C   0  0  0  0  0  0           0  0  0
  3 13  1  0     0  0
  4 12  1  0     0  0
  5 11  1  0     0  0
  6 29  1  0     0  0
  7 10  1  0     0  0
  8 30  1  0     0  0
  9 26  1  0     0  0
 10  2  1  0     0  0
 11  8  1  0     0  0
 12  9  1  0     0  0
 13  6  1  0     0  0
 14  3  2  0     0  0
 15  5  2  0     0  0
 16  2  2  0     0  0
 17  4  2  0     0  0
 18  3  1  0     0  0
 19  4  1  0     0  0
 20  5  1  0     0  0
 21  2  1  0     0  0
 22  2  1  0     0  0
 23  3  1  0     0  0
 24  5  1  0     0  0
 25  4  1  0     0  0
 26 33  1  0     0  0
 27 28  1  0     0  0
 28  8  1  0     0  0
 29 32  1  0     0  0
 30 31  1  0     0  0
 31  7  1  0     0  0
 32  9  1  0     0  0
 33  7  1  0     0  0
 27  6  1  0     0  0
M  CHG  4   1   3  18  -1  19  -1  23  -1
M  ISO  1   1 153
M  END

$$$$
D01LOU
  -OEChem-10101305022D

 35 38  0     0  0  0  0  0  0999 V2000
    4.6660   -0.3926    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660    2.6074    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    3.1520    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    5.5427    3.1320    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746   -1.9371    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4144    2.6420    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    8.8533   -2.2918    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4260   -0.4272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321    0.1074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321    1.1074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4144   -1.4272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4260    1.6421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660    1.6074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000    1.1074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3321    0.0866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000    0.1074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3321    1.1282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9061    1.6421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9061   -0.4272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3676   -2.9328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1928   -1.5410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.1282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.0866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3433   -3.1520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8051   -1.3124    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1957   -2.0073    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8678   -0.2254    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8678    1.4403    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9132    2.2621    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9132   -1.0472    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9021   -3.3423    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3287   -0.9361    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4643    1.4403    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4643   -0.2254    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5889   -3.7213    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  1 16  1  0  0  0  0
  2 13  2  0  0  0  0
  3  6  1  0  0  0  0
  4  6  2  0  0  0  0
  5 11  1  0  0  0  0
  5 20  1  0  0  0  0
  5 21  1  0  0  0  0
  6 12  1  0  0  0  0
  7 21  2  0  0  0  0
  7 24  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 10  1  0  0  0  0
 10 12  2  0  0  0  0
 10 13  1  0  0  0  0
 11 25  1  0  0  0  0
 11 26  1  0  0  0  0
 12 17  1  0  0  0  0
 13 14  1  0  0  0  0
 14 16  1  0  0  0  0
 14 18  2  0  0  0  0
 15 17  2  0  0  0  0
 15 27  1  0  0  0  0
 16 19  2  0  0  0  0
 17 28  1  0  0  0  0
 18 22  1  0  0  0  0
 18 29  1  0  0  0  0
 19 23  1  0  0  0  0
 19 30  1  0  0  0  0
 20 24  2  0  0  0  0
 20 31  1  0  0  0  0
 21 32  1  0  0  0  0
 22 23  2  0  0  0  0
 22 33  1  0  0  0  0
 23 34  1  0  0  0  0
 24 35  1  0  0  0  0
M  CHG  2   3  -1   6   1
M  END

$$$$
D01LPG
  -OEChem-10101305032D

 27 28  0     0  0  0  0  0  0999 V2000
    2.8660   -4.1550    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.8450    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.5981    2.8450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5981    2.8450    0.0000 O   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
    4.5981    3.8450    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.6550    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.6550    0.0000 N   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
    4.5981   -0.1550    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
    5.4641    1.3450    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
    5.4641    0.3450    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
    2.8660   -1.1550    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
    2.0000   -2.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951    1.6550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    1.6550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951    0.0350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    0.0350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -1.4650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    4.1550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0611    4.1550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.5350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -2.9650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 17  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  2  0  0  0  0
  2  6  1  0  0  0  0
  2  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 15  1  0  0  0  0
  5 23  1  0  0  0  0
  6 24  1  0  0  0  0
  6 25  1  0  0  0  0
  7 15  1  0  0  0  0
  7 17  2  0  0  0  0
  8 16  1  0  0  0  0
  8 18  2  0  0  0  0
  9 11  2  0  0  0  0
  9 12  1  0  0  0  0
 10 13  2  0  0  0  0
 10 14  1  0  0  0  0
 11 13  1  0  0  0  0
 11 19  1  0  0  0  0
 12 14  2  0  0  0  0
 12 20  1  0  0  0  0
 13 21  1  0  0  0  0
 14 22  1  0  0  0  0
 15 16  2  0  0  0  0
 16 26  1  0  0  0  0
 17 18  1  0  0  0  0
 18 27  1  0  0  0  0
M  END

$$$$
D01LRC
  -OEChem-04152109492D

 81 82  0     0  0  0  0  0  0999 V2000
   10.6603    1.9400    0.0000 N   0  3  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
   11.6065    1.6353    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6065    3.2447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1901    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
    9.7942    3.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    1.9400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    2.9400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942    0.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942    4.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    1.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    3.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    4.9400    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    4.9400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    0.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    4.4400    0.0000 C   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
    8.9282   -1.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942   -1.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    4.9400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942   -2.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    4.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603   -3.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    4.9400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603   -4.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    4.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5263   -4.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    4.9400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5263   -5.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3554    1.0684    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.1439    1.3260    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.1439    3.5540    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3554    3.8116    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.6510    2.0253    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.6510    2.8547    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1742    0.4400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942   -0.1800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4142    0.4400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3312    4.7500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5252    1.7500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3722    3.9769    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5252    3.7500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7522    2.9031    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    5.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6636    3.9650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4607    3.9650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5947    5.4150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7976    5.4150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9316    3.9650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7287    3.9650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5252    0.1300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5388   -0.1677    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1403    0.5226    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3176   -0.9523    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7162   -1.6426    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4048   -1.6677    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0063   -0.9774    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8626    5.4150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0656    5.4150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1836   -2.4523    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5822   -3.1426    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1996    3.9650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9966    3.9650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2708   -3.1677    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8723   -2.4774    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1306    5.4150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3335    5.4150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0497   -3.9523    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4482   -4.6426    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4675    3.9650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1369   -4.6677    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7383   -3.9774    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9063   -5.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1463   -5.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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 10 38  1  0  0  0  0
 10 39  1  0  0  0  0
 10 40  1  0  0  0  0
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 11 41  1  0  0  0  0
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 13 43  1  0  0  0  0
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 13 45  1  0  0  0  0
 14 15  1  0  0  0  0
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 15 16  1  0  0  0  0
 15 47  1  0  0  0  0
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 16 18  1  0  0  0  0
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 16 50  1  0  0  0  0
 17 19  1  0  0  0  0
 17 53  1  0  0  0  0
 18 22  1  0  0  0  0
 18 51  1  0  0  0  0
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 19 20  1  0  0  0  0
 19 54  1  0  0  0  0
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 20 21  1  0  0  0  0
 20 56  1  0  0  0  0
 20 57  1  0  0  0  0
 21 23  1  0  0  0  0
 21 58  1  0  0  0  0
 21 59  1  0  0  0  0
 22 24  1  0  0  0  0
 22 60  1  0  0  0  0
 22 61  1  0  0  0  0
 23 25  1  0  0  0  0
 23 62  1  0  0  0  0
 23 63  1  0  0  0  0
 24 26  1  0  0  0  0
 24 64  1  0  0  0  0
 24 65  1  0  0  0  0
 25 27  1  0  0  0  0
 25 66  1  0  0  0  0
 25 67  1  0  0  0  0
 26 28  1  0  0  0  0
 26 68  1  0  0  0  0
 26 69  1  0  0  0  0
 27 29  1  0  0  0  0
 27 70  1  0  0  0  0
 27 71  1  0  0  0  0
 28 30  1  0  0  0  0
 28 72  1  0  0  0  0
 28 73  1  0  0  0  0
 29 31  1  0  0  0  0
 29 74  1  0  0  0  0
 29 75  1  0  0  0  0
 30 76  1  0  0  0  0
 30 77  1  0  0  0  0
 30 78  1  0  0  0  0
 31 79  1  0  0  0  0
 31 80  1  0  0  0  0
 31 81  1  0  0  0  0
M  CHG  1   1   1
M  END

$$$$
D01LUB
  -OEChem-10101305022D

 39 41  0     1  0  0  0  0  0999 V2000
    4.5981   -1.0173    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.9827    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0901   -1.0520    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8602   -1.0414    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.5173    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.8660   -1.0173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.5173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.4827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.9827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.4827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.5173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -1.0173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -0.5173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.4641    0.4827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.9827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0901    1.0174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -2.0173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9962    0.5035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0785    2.0173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9962   -0.5381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -0.2073    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    3.2646   -1.4922    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3894   -0.4096    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    1.3894    0.3750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2646    1.4576    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4675    1.4576    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9272    0.7927    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    1.6027    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7101   -2.0173    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -2.6373    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9501   -2.0173    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5319    0.8156    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6985    2.0245    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0714    2.6373    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4586    2.0101    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1 11  1  0  0  0  0
  2 10  2  0  0  0  0
  3 13  1  0  0  0  0
  3 21  1  0  0  0  0
  4 21  2  0  0  0  0
  5  6  1  0  0  0  0
  5 10  1  0  0  0  0
  5 22  1  0  0  0  0
  6  7  1  0  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 25  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 10  1  0  0  0  0
  9 29  1  0  0  0  0
  9 30  1  0  0  0  0
 11 12  2  0  0  0  0
 11 15  1  0  0  0  0
 12 13  1  0  0  0  0
 12 18  1  0  0  0  0
 13 14  2  0  0  0  0
 14 16  1  0  0  0  0
 14 17  1  0  0  0  0
 15 16  2  0  0  0  0
 15 31  1  0  0  0  0
 16 32  1  0  0  0  0
 17 19  2  0  0  0  0
 17 20  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
 19 21  1  0  0  0  0
 19 36  1  0  0  0  0
 20 37  1  0  0  0  0
 20 38  1  0  0  0  0
 20 39  1  0  0  0  0
M  END

$$$$
D01LVY
  -OEChem-10101305022D

 38 41  0     0  0  0  0  0  0999 V2000
    4.6660   -2.4827    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000    1.0173    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660   -0.4827    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321   -0.9827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000   -0.9827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321   -1.9827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000   -1.9827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660    0.5173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321    1.0173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4260   -0.4480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9061   -0.4480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9061   -2.5173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4260   -2.5173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.9619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3321   -0.9619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3321   -2.0035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.0035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321    2.0173    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    2.0173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981    2.5173    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
    8.1301    2.5173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9132    0.1720    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    1.4643   -0.6498    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8678   -0.6498    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4643   -2.3156    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1  6  1  0  0  0  0
  1  7  1  0  0  0  0
  2  8  2  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3  8  1  0  0  0  0
  4  6  1  0  0  0  0
  4 10  2  0  0  0  0
  5  7  1  0  0  0  0
  5 11  2  0  0  0  0
  6 13  2  0  0  0  0
  7 12  2  0  0  0  0
  8  9  1  0  0  0  0
  9 18  2  0  0  0  0
  9 19  1  0  0  0  0
 10 15  1  0  0  0  0
 10 25  1  0  0  0  0
 11 14  1  0  0  0  0
 11 24  1  0  0  0  0
 12 17  1  0  0  0  0
 12 26  1  0  0  0  0
 13 16  1  0  0  0  0
 13 27  1  0  0  0  0
 14 17  2  0  0  0  0
 14 28  1  0  0  0  0
 15 16  2  0  0  0  0
 15 29  1  0  0  0  0
 16 31  1  0  0  0  0
 17 30  1  0  0  0  0
 18 21  1  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  2  0  0  0  0
 20 22  1  0  0  0  0
 20 23  1  0  0  0  0
 21 34  1  0  0  0  0
 22 35  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
M  END

$$$$
D01LWJ
  -OEChem-10101305032D

 50 53  0     1  0  0  0  0  0999 V2000
   11.2690   -0.1796    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3972    1.3170    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.8613    1.3304    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1254    2.3237    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.8690   -0.6696    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.0087   -2.1729    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2767   -2.1796    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    1.2929    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6155   -1.7417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -1.7071    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    2.7929    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9972    0.8271    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.1292    1.3237    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   13.0010   -0.1729    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.1369   -0.6763    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.2651    0.8204    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.1408   -1.6762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5331    0.8137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.4030    2.2929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5353    0.5191    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.6650    1.6358    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   10.0688   -0.5400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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M  END

$$$$
D01LZL
  BIDD-NUS20110812001D

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M  ENDM  END

$$$$
D01MAC
  -OEChem-10101305022D

 38 39  0     1  0  0  0  0  0999 V2000
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M  CHG  2   6  -1   8   1
M  END

$$$$
D01MAN
  -OEChem-10101305032D

 45 48  0     0  0  0  0  0  0999 V2000
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M  END

$$$$
D01MBF
  -OEChem-10101305032D

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M  END

$$$$
D01MBG
  -OEChem-10101305032D

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 28 53  1  0  0  0  0
 29 31  2  0  0  0  0
 29 54  1  0  0  0  0
 30 31  1  0  0  0  0
 30 55  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
M  END

$$$$
D01MBR
  -OEChem-10101305022D

 86 89  0     0  0  0  0  0  0999 V2000
    2.8660    6.8100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -5.1900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    8.0622   -0.1900    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -6.6900    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282   -1.6900    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    9.7942    1.8100    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   10.6603   -4.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8660    3.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    7.1962   -7.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    8.5991   -3.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7932   -3.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6182   -7.2269    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651   -7.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2382   -6.1531    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1541   -6.1531    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9272   -7.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7741   -7.2269    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651   -2.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7932   -1.8800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   10.3312   -0.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   10.3503   -4.1531    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 27  1  0  0  0  0
  1 42  1  0  0  0  0
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 10 34  1  0  0  0  0
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 17 54  1  0  0  0  0
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 18 20  1  0  0  0  0
 18 56  1  0  0  0  0
 18 57  1  0  0  0  0
 19 22  2  0  0  0  0
 19 23  1  0  0  0  0
 20 58  1  0  0  0  0
 20 59  1  0  0  0  0
 21 24  1  0  0  0  0
 21 25  1  0  0  0  0
 21 26  1  0  0  0  0
 21 60  1  0  0  0  0
 22 27  1  0  0  0  0
 22 61  1  0  0  0  0
 23 30  2  0  0  0  0
 23 62  1  0  0  0  0
 24 28  2  0  0  0  0
 24 36  1  0  0  0  0
 25 29  2  0  0  0  0
 25 37  1  0  0  0  0
 26 32  2  0  0  0  0
 26 33  1  0  0  0  0
 27 31  2  0  0  0  0
 28 38  1  0  0  0  0
 29 39  1  0  0  0  0
 30 31  1  0  0  0  0
 30 63  1  0  0  0  0
 31 65  1  0  0  0  0
 32 34  1  0  0  0  0
 32 66  1  0  0  0  0
 33 40  2  0  0  0  0
 33 67  1  0  0  0  0
 34 41  2  0  0  0  0
 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 41  1  0  0  0  0
 40 75  1  0  0  0  0
 41 76  1  0  0  0  0
 42 78  1  0  0  0  0
 42 79  1  0  0  0  0
 42 80  1  0  0  0  0
 43 81  1  0  0  0  0
 43 82  1  0  0  0  0
 43 83  1  0  0  0  0
 44 84  1  0  0  0  0
 44 85  1  0  0  0  0
 44 86  1  0  0  0  0
M  END

$$$$
D01MCD
  BIDD-NUS20110812001D

 33 36  0  0  0  0  0  0  0  0999 V2000
   21.6458   -2.3458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.6417   -3.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3585   -1.9346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.7819   -1.5166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.7807   -2.3440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.4956   -2.7569    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   19.4938   -1.1039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.2091   -1.5130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.2079   -2.3461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.9248   -2.7613    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.6487   -1.5151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.9272   -1.0952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.0694   -1.1045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.0706   -0.2784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3569    0.1339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6415   -0.2788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6443   -1.1081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3587   -1.5166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.0679   -2.7562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3534   -2.3414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6391   -2.7527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6380   -3.5786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3572   -3.9915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.0686   -3.5778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.7838   -3.9889    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   15.9264    0.1325    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   20.9273   -0.2702    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   21.6418    0.1423    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.6418    0.9673    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.3562   -0.2703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3562   -1.0953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.0707    0.1422    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.9238   -3.9914    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
 16 17  1  0  0  0  0 
  4  5  2  0  0  0  0 
 17 18  2  0  0  0  0 
 18 13  1  0  0  0  0 
  4 13  1  0  0  0  0 
  1  3  1  0  0  0  0 
  5  6  1  0  0  0  0 
 19 20  2  0  0  0  0 
  6  9  2  0  0  0  0 
 20 21  1  0  0  0  0 
  8 12  1  0  0  0  0 
 21 22  2  0  0  0  0 
  9 10  1  0  0  0  0 
 22 23  1  0  0  0  0 
 10  1  1  0  0  0  0 
 23 24  2  0  0  0  0 
 24 19  1  0  0  0  0 
  5 19  1  0  0  0  0 
  1 11  1  0  0  0  0 
 24 25  1  0  0  0  0 
 11 12  1  0  0  0  0 
 16 26  1  0  0  0  0 
  1  2  1  0  0  0  0 
 12 27  1  0  0  0  0 
  8  7  2  0  0  0  0 
 27 28  1  0  0  0  0 
 13 14  2  0  0  0  0 
 28 29  2  0  0  0  0 
  7  4  1  0  0  0  0 
 28 30  1  0  0  0  0 
 14 15  1  0  0  0  0 
 30 31  1  0  0  0  0 
  8  9  1  0  0  0  0 
 30 32  1  6  0  0  0 
 15 16  2  0  0  0  0 
 22 33  1  0  0  0  0 
M  ENDM  END

$$$$
D01MDE
  -OEChem-10101305032D

 10  9  0     0  0  0  0  0  0999 V2000
    2.0000   -0.2500    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    6.3301    0.2500    0.0000 O   0  5  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
    5.4641   -1.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.2500    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
    2.8660    0.2500    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
    3.7320   -0.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  2  8  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  2  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  5  9  1  0  0  0  0
  6  8  1  0  0  0  0
  6 10  1  0  0  0  0
M  CHG  2   1  -1   2  -1
M  END

$$$$
D01MEA
  -OEChem-10101305022D

 30 30  0     1  0  0  0  0  0999 V2000
    4.7599    1.4967    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.2599   -0.6940    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5771   -0.8836    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1609   -0.2601    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.9427   -0.8836    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8736   -0.5182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3834    0.7148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6554   -1.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1364    0.7148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7599    1.4967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3590   -0.2601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5863   -0.7764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0915   -0.8762    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    6.2660   -1.4126    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3385   -0.1080    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    5.9420    0.4458    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7700    1.1996    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1906   -1.5520    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.7499    1.1996    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5779    0.4458    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8979    2.1011    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2013    1.7657    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8128   -1.3535    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1  7  1  0  0  0  0
  1 10  1  0  0  0  0
  2  4  1  0  0  0  0
  2 11  2  0  0  0  0
  3 11  1  0  0  0  0
  3 29  1  0  0  0  0
  3 30  1  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  4 13  1  0  0  0  0
  5  6  1  0  0  0  0
  5 14  1  0  0  0  0
  5 15  1  0  0  0  0
  6  8  1  0  0  0  0
  6 16  1  0  0  0  0
  6 17  1  0  0  0  0
  7 18  1  0  0  0  0
  7 19  1  0  0  0  0
  8 12  1  0  0  0  0
  8 20  1  0  0  0  0
  8 21  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 22  1  0  0  0  0
  9 23  1  0  0  0  0
 10 24  1  0  0  0  0
 10 25  1  0  0  0  0
 12 26  1  0  0  0  0
 12 27  1  0  0  0  0
 12 28  1  0  0  0  0
M  END

$$$$
D01MEP
  -OEChem-10191522112D

 30 32  0     0  0  0  0  0  0999 V2000
    2.0000   -4.2852    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.7852    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.4071    0.8026    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0981    1.7536    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7891    0.8026    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8614    4.1807    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.2852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.2852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.7852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.7852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6859    2.5626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0981    1.7536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.7852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -3.7852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7320   -4.2852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2791    3.4762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6804    2.4581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8669    4.2852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2682    3.2671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5200   -0.7026    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1215   -1.3929    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -2.4752    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -2.4752    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -4.0952    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -4.9052    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6625    3.5410    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    5.6147    4.8516    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8848    3.2023    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  1  0  0  0  0
  2  8  1  0  0  0  0
  2 15  1  0  0  0  0
  3 12  1  0  0  0  0
  3 15  1  0  0  0  0
  4  5  1  0  0  0  0
  4 12  2  0  0  0  0
  5 15  2  0  0  0  0
  6 19  2  0  0  0  0
  6 20  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  2  0  0  0  0
  7 10  1  0  0  0  0
  8 21  1  0  0  0  0
  8 22  1  0  0  0  0
  9 13  1  0  0  0  0
  9 23  1  0  0  0  0
 10 14  2  0  0  0  0
 10 24  1  0  0  0  0
 11 12  1  0  0  0  0
 11 17  2  0  0  0  0
 11 18  1  0  0  0  0
 13 16  2  0  0  0  0
 14 16  1  0  0  0  0
 14 25  1  0  0  0  0
 16 26  1  0  0  0  0
 17 19  1  0  0  0  0
 17 27  1  0  0  0  0
 18 20  2  0  0  0  0
 18 28  1  0  0  0  0
 19 29  1  0  0  0  0
 20 30  1  0  0  0  0
M  END

$$$$
D01MFK
  -OEChem-04152108542D

 42 44  0     0  0  0  0  0  0999 V2000
    3.7601   -2.6739    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.8870   -0.6605    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.2601    2.8649    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8479    3.6739    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7601   -2.6739    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7601   -2.6739    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9511    1.9139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7601    1.3261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5691    1.9139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7601    0.3261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.2229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3633    1.1048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2601    2.8649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5202    1.6048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6261   -0.1739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8940   -0.1739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7601   -1.6739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6261   -1.1739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8940   -1.1739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7281    0.6267    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2633    2.2740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6791    0.3177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2144    1.9650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7601   -3.6739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4223    0.9868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1916    2.8125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4103    2.4145    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8084    1.6332    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8617    1.4693    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9988    0.6032    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8649    0.7404    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1630    0.1361    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3571    0.1361    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1630   -1.4839    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3571   -1.4839    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2673    0.2118    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1344    2.8804    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6751    2.3798    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1401   -3.6739    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7601   -4.2939    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3801   -3.6739    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0119    0.7952    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 17  1  0  0  0  0
  1 24  1  0  0  0  0
  2 22  1  0  0  0  0
  3  7  1  0  0  0  0
  3 13  1  0  0  0  0
  4 13  2  0  0  0  0
  7  8  1  0  0  0  0
  7 11  1  0  0  0  0
  7 12  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
  9 13  1  0  0  0  0
  9 14  1  0  0  0  0
 10 15  2  0  0  0  0
 10 16  1  0  0  0  0
 11 26  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
 12 30  1  0  0  0  0
 12 31  1  0  0  0  0
 14 20  2  0  0  0  0
 14 21  1  0  0  0  0
 15 18  1  0  0  0  0
 15 32  1  0  0  0  0
 16 19  2  0  0  0  0
 16 33  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 18 34  1  0  0  0  0
 19 35  1  0  0  0  0
 20 22  1  0  0  0  0
 20 36  1  0  0  0  0
 21 23  2  0  0  0  0
 21 37  1  0  0  0  0
 22 25  2  0  0  0  0
 23 25  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 42  1  0  0  0  0
M  END

$$$$
D01MFM
  -OEChem-10101305022D

112114  0     1  0  0  0  0  0999 V2000
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    7.0000   -4.7732    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    2.1550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    8.0000  -10.5053    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0000    7.3512    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5000    6.4851    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.4229    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.3091    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   10.0000    0.4229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.5000    1.2890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.8660   -8.0052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0000    0.4229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5000    1.2890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.7320   -7.5052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.5000    1.2890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.0000    2.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 50100  1  0  0  0  0
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 53106  1  0  0  0  0
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 57110  1  0  0  0  0
 58 59  1  0  0  0  0
 58111  1  0  0  0  0
 59112  1  0  0  0  0
M  CHG  2   9  -1  19   1
M  END

$$$$
D01MFT
  -OEChem-10191521472D

 24 26  0     1  0  0  0  0  0999 V2000
    5.9141   -1.0797    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.6906    1.8181    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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  1 11  1  0  0  0  0
  2 12  1  0  0  0  0
  3 13  1  0  0  0  0
  4 13  1  0  0  0  0
  5 14  1  0  0  0  0
  6 16  1  0  0  0  0
  7 17  1  0  0  0  0
  8 18  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 14  1  0  0  0  0
  9 19  1  0  0  0  0
 10 12  1  0  0  0  0
 10 15  1  0  0  0  0
 10 20  1  0  0  0  0
 11 13  1  0  0  0  0
 11 17  1  0  0  0  0
 12 13  1  0  0  0  0
 12 18  1  0  0  0  0
 14 16  1  0  0  0  0
 14 21  1  0  0  0  0
 15 16  1  0  0  0  0
 15 22  1  0  0  0  0
 15 23  1  0  0  0  0
 16 24  1  0  0  0  0
 17 18  2  0  0  0  0
M  END

$$$$
D01MFV
  -OEChem-10101305022D

 33 33  0     0  0  0  0  0  0999 V2000
    6.3301    4.3450    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.8450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.6550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8660   -1.6550    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  1 12  1  0  0  0  0
  1 33  1  0  0  0  0
  2  8  2  0  0  0  0
  3  9  2  0  0  0  0
  4  8  1  0  0  0  0
  4 10  1  0  0  0  0
  4 24  1  0  0  0  0
  5  9  1  0  0  0  0
  5 11  1  0  0  0  0
  5 25  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6 18  1  0  0  0  0
  6 19  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
 10 12  1  0  0  0  0
 10 22  1  0  0  0  0
 10 23  1  0  0  0  0
 11 13  2  0  0  0  0
 11 14  1  0  0  0  0
 12 26  1  0  0  0  0
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 13 15  1  0  0  0  0
 13 28  1  0  0  0  0
 14 16  2  0  0  0  0
 14 29  1  0  0  0  0
 15 17  2  0  0  0  0
 15 30  1  0  0  0  0
 16 17  1  0  0  0  0
 16 31  1  0  0  0  0
 17 32  1  0  0  0  0
M  END

$$$$
D01MGI
  -OEChem-04152109512D

 60 61  0     1  0  0  0  0  0999 V2000
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 29 54  1  0  0  0  0
 29 55  1  0  0  0  0
M  END

$$$$
D01MHO
  -OEChem-10101305022D

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M  END

$$$$
D01MHP
  -OEChem-10101305022D

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M  END

$$$$
D01MJF
  -OEChem-10101305022D

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M  END

$$$$
D01MKM
  -OEChem-10101305022D

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    6.7382    2.5683    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9461    3.5464    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1673    4.8627    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4136    4.1046    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -4.4448    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -4.4448    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6357    1.5822    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7582   -0.5030    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -6.0648    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -6.0648    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8396    0.4982    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.3291   -7.5648    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 15  2  0  0  0  0
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 18  7  1  6  0  0  0
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 17  8  1  1  0  0  0
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 24  9  1  1  0  0  0
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 10 29  1  0  0  0  0
 10 77  1  0  0  0  0
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 11 12  1  0  0  0  0
 11 15  1  6  0  0  0
 11 44  1  0  0  0  0
 12 13  1  0  0  0  0
 12 45  1  0  0  0  0
 12 46  1  0  0  0  0
 13 14  1  0  0  0  0
 13 47  1  0  0  0  0
 13 48  1  0  0  0  0
 14 49  1  0  0  0  0
 14 50  1  0  0  0  0
 16 17  1  0  0  0  0
 17 19  1  0  0  0  0
 17 51  1  0  0  0  0
 18 20  1  0  0  0  0
 18 21  1  0  0  0  0
 18 53  1  0  0  0  0
 19 23  1  0  0  0  0
 19 54  1  0  0  0  0
 19 55  1  0  0  0  0
 20 22  1  0  0  0  0
 20 56  1  0  0  0  0
 20 57  1  0  0  0  0
 22 25  1  0  0  0  0
 22 58  1  0  0  0  0
 22 59  1  0  0  0  0
 23 27  2  0  0  0  0
 23 28  1  0  0  0  0
 24 26  1  0  0  0  0
 24 29  1  0  0  0  0
 24 63  1  0  0  0  0
 25 30  2  0  0  0  0
 25 31  1  0  0  0  0
 26 32  1  0  0  0  0
 26 64  1  0  0  0  0
 26 65  1  0  0  0  0
 27 33  1  0  0  0  0
 27 66  1  0  0  0  0
 28 34  2  0  0  0  0
 28 67  1  0  0  0  0
 30 36  1  0  0  0  0
 30 68  1  0  0  0  0
 31 37  2  0  0  0  0
 31 69  1  0  0  0  0
 32 38  2  0  0  0  0
 32 39  1  0  0  0  0
 33 35  2  0  0  0  0
 33 70  1  0  0  0  0
 34 35  1  0  0  0  0
 34 71  1  0  0  0  0
 36 40  2  0  0  0  0
 36 72  1  0  0  0  0
 37 40  1  0  0  0  0
 37 73  1  0  0  0  0
 38 41  1  0  0  0  0
 38 74  1  0  0  0  0
 39 42  2  0  0  0  0
 39 75  1  0  0  0  0
 40 76  1  0  0  0  0
 41 43  2  0  0  0  0
 41 79  1  0  0  0  0
 42 43  1  0  0  0  0
 42 80  1  0  0  0  0
 43 81  1  0  0  0  0
M  END

$$$$
D01MLQ
  -OEChem-10101305032D

 42 44  0     0  0  0  0  0  0999 V2000
    2.8660   -1.0000    0.0000 F   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
    4.5981    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
    5.4641    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
    5.4641   -0.5000    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
    5.4641    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
    5.4641    3.5000    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
    3.7320   -2.5000    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
    7.1962    2.5000    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   -3.5000    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
    2.0000   -2.5000    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   -3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    1.3100    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
    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
    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
    3.1215   -0.3923    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
    4.3860    2.5826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9875    1.8923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9272    3.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    1.3800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    4.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    2.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -3.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    3.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -2.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -4.6200    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
  1 17  1  0  0  0  0
  2 11  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  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4  9  1  0  0  0  0
  4 23  1  0  0  0  0
  5  7  1  0  0  0  0
  5 26  1  0  0  0  0
  5 27  1  0  0  0  0
  6  8  1  0  0  0  0
  6 24  1  0  0  0  0
  6 25  1  0  0  0  0
  7 30  1  0  0  0  0
  7 31  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 32  1  0  0  0  0
  9 33  1  0  0  0  0
 10 12  2  0  0  0  0
 10 13  1  0  0  0  0
 11 14  1  0  0  0  0
 12 15  1  0  0  0  0
 12 34  1  0  0  0  0
 13 16  2  0  0  0  0
 13 35  1  0  0  0  0
 14 17  1  0  0  0  0
 14 18  2  0  0  0  0
 15 19  2  0  0  0  0
 15 36  1  0  0  0  0
 16 19  1  0  0  0  0
 16 37  1  0  0  0  0
 17 20  2  0  0  0  0
 18 21  1  0  0  0  0
 18 38  1  0  0  0  0
 19 39  1  0  0  0  0
 20 22  1  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
M  END

$$$$
D01MMM
  -OEChem-10101305022D

 62 63  0     1  0  0  0  0  0999 V2000
    8.9282    4.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    1.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    3.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -4.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.7500    0.0000 O   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
    7.1962    3.2500    0.0000 C   0  0  3  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
    7.5622    4.6160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5622    2.8840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.7500    0.0000 C   0  0  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
    5.4641    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.5981   -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  0  0  0  0  0  0  0  0  0  0
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    6.3301   -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
    3.7320   -2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -3.7500    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
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    7.1962   -2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8660   -2.2500    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
    6.3301   -4.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.4082    1.6674    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8067    2.3577    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0252    2.5740    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8722    2.3470    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0991    3.1940    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2522    5.1530    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0252    4.3060    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    4.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    4.3700    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
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  1  8  1  0  0  0  0
  1 42  1  0  0  0  0
  2 10  1  0  0  0  0
  2 13  1  0  0  0  0
  3  9  1  0  0  0  0
  3 43  1  0  0  0  0
  4 16  1  0  0  0  0
  4 54  1  0  0  0  0
  5 18  2  0  0  0  0
  6 25  1  0  0  0  0
  6 62  1  0  0  0  0
  7 30  2  0  0  0  0
  8  9  1  0  0  0  0
  8 11  1  0  0  0  0
  8 12  1  0  0  0  0
  9 10  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 39  1  0  0  0  0
 11 40  1  0  0  0  0
 11 41  1  0  0  0  0
 12 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
 13 19  2  0  0  0  0
 14 16  2  0  0  0  0
 14 18  1  0  0  0  0
 14 21  1  0  0  0  0
 15 17  2  0  0  0  0
 15 18  1  0  0  0  0
 15 23  1  0  0  0  0
 17 22  1  0  0  0  0
 17 24  1  0  0  0  0
 19 20  1  0  0  0  0
 19 44  1  0  0  0  0
 20 21  2  0  0  0  0
 20 27  1  0  0  0  0
 21 45  1  0  0  0  0
 22 28  1  0  0  0  0
 22 46  1  0  0  0  0
 22 47  1  0  0  0  0
 23 25  2  0  0  0  0
 23 30  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 50  1  0  0  0  0
 27 51  1  0  0  0  0
 27 52  1  0  0  0  0
 28 29  2  0  0  0  0
 28 53  1  0  0  0  0
 29 31  1  0  0  0  0
 29 32  1  0  0  0  0
 30 55  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 56  1  0  0  0  0
 32 57  1  0  0  0  0
 32 58  1  0  0  0  0
M  END

$$$$
D01MMU
  -OEChem-10101305022D

 34 36  0     0  0  0  0  0  0999 V2000
    6.4103   -0.8047    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9939    0.0000    0.0000 N   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
    6.9939    0.0000    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
    7.9939    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4103    0.8047    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   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4939   -0.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4939    0.8660    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
    9.9939    0.0000    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
    9.4939   -0.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4939    0.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4939   -0.8660    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
    6.6029    1.3940    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1839   -1.4030    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1839    1.4030    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951   -0.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8039   -1.4030    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8039    1.4030    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3039    0.5369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9570   -1.1760    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8039   -1.4030    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.0309   -0.5560    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
    1.4631    0.1900    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  5  1  0  0  0  0
  1  6  1  0  0  0  0
  2 13  1  0  0  0  0
  2 19  1  0  0  0  0
  3 14  1  0  0  0  0
  3 18  1  0  0  0  0
  3 28  1  0  0  0  0
  4  6  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  8  2  0  0  0  0
  6 10  1  0  0  0  0
  7 11  2  0  0  0  0
  7 12  1  0  0  0  0
  8 20  1  0  0  0  0
  9 13  2  0  0  0  0
  9 21  1  0  0  0  0
 10 15  2  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  1  0  0  0  0
 14 16  2  0  0  0  0
 14 17  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
 18 29  1  0  0  0  0
 18 30  1  0  0  0  0
 18 31  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
M  END

$$$$
D01MNK
  -OEChem-10191522582D

 55 57  0     1  0  0  0  0  0999 V2000
    4.2690   -3.5002    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -0.5002    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -2.5002    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991   -1.0002    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -2.5002    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331   -2.5002    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.5453   -0.6955    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    0.4998    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -2.0002    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.5453   -2.3050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -2.5002    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.8560   -3.2555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991   -2.0002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -2.0002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331   -0.5002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -1.0002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -1.0002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1289   -1.5002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -2.0002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8345   -3.4617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1882   -3.9998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    0.9998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    1.9998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    2.4998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    2.4998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    3.4998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    3.4998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    3.9998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -2.6202    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8059   -2.8102    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2701   -2.7940    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -3.1202    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7456   -1.1079    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3471   -0.4176    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.6902    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7489   -1.5002    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8015   -1.5253    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0044   -1.5253    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7267   -3.5857    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7066   -4.0684    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4412   -3.5896    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9624   -2.8550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7741   -4.4612    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6496   -4.4138    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2700    0.8098    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2565    1.1074    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6550    0.4172    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.8102    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.1198    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.1902    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2700    2.1898    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    2.1898    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2700    3.8098    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    3.8098    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    4.6198    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
 11  1  1  6  0  0  0
  1 48  1  0  0  0  0
  2 16  1  0  0  0  0
  2 49  1  0  0  0  0
  3 19  1  0  0  0  0
  3 50  1  0  0  0  0
  4  7  1  0  0  0  0
  4 13  1  0  0  0  0
  4 15  1  0  0  0  0
  9  5  1  6  0  0  0
  5 14  1  0  0  0  0
  5 32  1  0  0  0  0
  6 13  1  0  0  0  0
  6 14  2  0  0  0  0
  7 18  2  0  0  0  0
  8 15  1  0  0  0  0
  8 22  1  0  0  0  0
  8 45  1  0  0  0  0
  9 11  1  0  0  0  0
  9 16  1  0  0  0  0
  9 29  1  0  0  0  0
 10 12  1  0  0  0  0
 10 13  2  0  0  0  0
 10 18  1  0  0  0  0
 11 19  1  0  0  0  0
 11 30  1  0  0  0  0
 12 20  1  0  0  0  0
 12 21  1  0  0  0  0
 12 31  1  0  0  0  0
 14 17  1  0  0  0  0
 15 17  2  0  0  0  0
 16 33  1  0  0  0  0
 16 34  1  0  0  0  0
 17 35  1  0  0  0  0
 18 36  1  0  0  0  0
 19 37  1  0  0  0  0
 19 38  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 39  1  0  0  0  0
 21 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
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
 24 26  1  0  0  0  0
 24 51  1  0  0  0  0
 25 27  2  0  0  0  0
 25 52  1  0  0  0  0
 26 28  2  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
 28 55  1  0  0  0  0
M  END

$$$$
D01MOQ
  -OEChem-10101305022D

 29 30  0     0  0  0  0  0  0999 V2000
    5.4641    1.8100    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
    7.2241   -1.2247    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.1900    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
    2.8660   -0.6900    0.0000 C   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    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
    5.4641    0.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2241    0.8447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1301   -0.7108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1301    0.3308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9942   -1.2142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3335   -1.6650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1306   -1.6650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2646   -0.2151    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4675   -0.2151    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0611    0.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2169    1.4646    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -0.6531    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
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    8.6822   -1.7499    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5300   -1.5262    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3063   -0.6784    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  2  0  0  0  0
  2  5  1  0  0  0  0
  2  7  1  0  0  0  0
  2 20  1  0  0  0  0
  3  7  1  0  0  0  0
  3 13  2  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4 16  1  0  0  0  0
  4 17  1  0  0  0  0
  5  9  2  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  8  2  0  0  0  0
  8 10  1  0  0  0  0
  8 11  1  0  0  0  0
  9 10  1  0  0  0  0
  9 21  1  0  0  0  0
 11 14  2  0  0  0  0
 11 22  1  0  0  0  0
 12 23  1  0  0  0  0
 12 24  1  0  0  0  0
 12 25  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 14 26  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
M  END

$$$$
D01MPK
  -OEChem-10101305022D

 27 28  0     1  0  0  0  0  0999 V2000
    2.0000    1.2598    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8479    3.3289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7601   -3.0189    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    2.9511    1.5689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7601   -0.0189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2601    2.5199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8940   -0.5189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6261   -0.5189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6723    3.3289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8940   -1.5189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6261   -1.5189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7601   -2.0189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3125    0.6996    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    5.1355    1.8210    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.2970   -3.3289    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2231   -3.3289    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  2  0  0  0  0
  2  9  2  0  0  0  0
  3  7  1  0  0  0  0
  3  9  1  0  0  0  0
  3 12  1  0  0  0  0
  4 15  1  0  0  0  0
  4 26  1  0  0  0  0
  4 27  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 16  1  0  0  0  0
  6  9  1  0  0  0  0
  6 17  1  0  0  0  0
  6 18  1  0  0  0  0
  8 10  2  0  0  0  0
  8 11  1  0  0  0  0
 10 13  1  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 21  1  0  0  0  0
 12 22  1  0  0  0  0
 12 23  1  0  0  0  0
 13 15  2  0  0  0  0
 13 24  1  0  0  0  0
 14 15  1  0  0  0  0
 14 25  1  0  0  0  0
M  END

$$$$
D01MPX
          11110804262D 1   1.00000     0.00000     0

 23 25  0     0  0            999 V2000
   -3.8875    3.6733    0.0000 N   0  0  0  0  0  0           0  0  0
   -4.6712    3.2200    0.0000 C   0  0  0  0  0  0           0  0  0
   -4.6712    2.3175    0.0000 C   0  0  0  0  0  0           0  0  0
   -3.8875    1.8642    0.0000 C   0  0  0  0  0  0           0  0  0
   -5.4524    1.8634    0.0000 Cl  0  0  0  0  0  0           0  0  0
   -2.2538    3.4977    0.0000 S   0  0  0  0  0  0           0  0  0
   -3.1080    3.2200    0.0000 C   0  0  0  0  0  0           0  0  0
   -3.1073    2.3210    0.0000 C   0  0  0  0  0  0           0  0  0
   -2.2517    2.0447    0.0000 N   0  0  0  0  0  0           0  0  0
   -1.7269    2.7767    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.8174    2.7867    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.3695    2.0041    0.0000 O   0  0  0  0  0  0           0  0  0
    0.5401    2.0045    0.0000 C   0  0  0  0  0  0           0  0  0
    0.9954    1.2266    0.0000 C   0  0  0  0  0  0           0  0  0
    1.8988    1.2311    0.0000 C   0  0  0  0  0  0           0  0  0
    2.3407    2.0213    0.0000 C   0  0  0  0  0  0           0  0  0
    1.8880    2.7966    0.0000 C   0  0  0  0  0  0           0  0  0
    0.9861    2.7947    0.0000 C   0  0  0  0  0  0           0  0  0
    3.2551    2.0233    0.0000 F   0  0  0  0  0  0           0  0  0
    0.5536    0.4364    0.0000 F   0  0  0  0  0  0           0  0  0
    2.3603    0.4520    0.0000 C   0  0  0  0  0  0           0  0  0
    3.2517    0.4584    0.0000 O   0  0  0  0  0  0           0  0  0
    1.9065   -0.3481    0.0000 N   0  0  0  0  0  0           0  0  0
  3  5  1  0     0  0
 11 12  1  0     0  0
 10 11  1  0     0  0
  7  8  2  0     0  0
  7  1  1  0     0  0
  1  2  2  0     0  0
  2  3  1  0     0  0
  3  4  2  0     0  0
  4  8  1  0     0  0
 13 14  1  0     0  0
 14 15  2  0     0  0
 15 16  1  0     0  0
 16 17  2  0     0  0
 17 18  1  0     0  0
 18 13  2  0     0  0
 12 13  1  0     0  0
  6  7  1  0     0  0
 16 19  1  0     0  0
  8  9  1  0     0  0
 14 20  1  0     0  0
  9 10  2  0     0  0
 10  6  1  0     0  0
 21 22  2  0     0  0
 21 23  1  0     0  0
 15 21  1  0     0  0
M  END

$$$$
D01MSM
  -OEChem-10101305022D

 23 24  0     0  0  0  0  0  0999 V2000
    4.6313    1.7023    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8104   -2.0789    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.3961    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7227    0.1314    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    7.8509    1.6280    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4088   -1.5196    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.8547    0.6281    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    5.1906    0.1039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1906   -0.8961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0846    0.6386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4088    0.7274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0846   -1.4308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9906    0.1247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9906   -0.9169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4339    0.5049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4339   -1.2971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -0.3961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0774    1.2585    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0774   -2.0507    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5468   -2.1240    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5264   -1.2290    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0473    0.9896    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1768    2.1240    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  0  0  0  0
  1 23  1  0  0  0  0
  2 16  2  0  0  0  0
  3 17  2  0  0  0  0
  4  7  1  0  0  0  0
  5  7  2  0  0  0  0
  6  9  1  0  0  0  0
  6 16  1  0  0  0  0
  6 20  1  0  0  0  0
  7 13  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
 10 13  2  0  0  0  0
 10 18  1  0  0  0  0
 11 15  2  0  0  0  0
 12 14  2  0  0  0  0
 12 19  1  0  0  0  0
 13 14  1  0  0  0  0
 14 21  1  0  0  0  0
 15 17  1  0  0  0  0
 15 22  1  0  0  0  0
 16 17  1  0  0  0  0
M  CHG  2   4  -1   7   1
M  END

$$$$
D01MSZ
  -OEChem-04152111312D

 31 32  0     0  0  0  0  0  0999 V2000
    5.2423    3.4239    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.1391    1.6639    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.9239    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.0761    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.4239    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.0761    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5211    1.6639    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.4239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.9239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -2.9239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -1.9239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.9239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -3.4239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.4239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -3.4239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.4239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    1.0761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8301    2.6149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8301    2.6149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.4239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -1.6139    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0611   -3.2339    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -4.0439    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8862   -3.9609    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331   -3.7339    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5062   -2.8870    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -0.2339    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1946    3.1165    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   -0.8870    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -1.1139    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -1.9609    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 18  1  0  0  0  0
  2 17  1  0  0  0  0
  2 19  1  0  0  0  0
  3 16  1  0  0  0  0
  3 20  1  0  0  0  0
  4 14  2  0  0  0  0
  5 16  2  0  0  0  0
  6 14  1  0  0  0  0
  6 17  1  0  0  0  0
  6 27  1  0  0  0  0
  7 17  2  0  0  0  0
  7 18  1  0  0  0  0
  8  9  2  0  0  0  0
  8 11  1  0  0  0  0
  8 14  1  0  0  0  0
  9 12  1  0  0  0  0
  9 16  1  0  0  0  0
 10 11  2  0  0  0  0
 10 13  1  0  0  0  0
 10 15  1  0  0  0  0
 11 21  1  0  0  0  0
 12 13  2  0  0  0  0
 12 22  1  0  0  0  0
 13 23  1  0  0  0  0
 15 24  1  0  0  0  0
 15 25  1  0  0  0  0
 15 26  1  0  0  0  0
 18 19  2  0  0  0  0
 19 28  1  0  0  0  0
 20 29  1  0  0  0  0
 20 30  1  0  0  0  0
 20 31  1  0  0  0  0
M  END

$$$$
D01MUN
  -OEChem-10101305032D

 27 29  0     0  0  0  0  0  0999 V2000
    4.6783   -1.2294    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783   -2.8389    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9209    2.5727    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.5341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9889   -0.2789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.5341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2619   -2.0341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.0341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3211    0.4654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9674   -0.0727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.0341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.5341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6318    1.4159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2781    0.8779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.5341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6103    1.6222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8819   -2.0341    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.4141    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7144    0.3376    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3815   -0.5341    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.6541    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -1.2241    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2177    1.8774    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8848    1.0057    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -2.8441    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5276    2.7005    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5069    3.0341    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
  1  7  1  0  0  0  0
  2  6  1  0  0  0  0
  2  7  2  0  0  0  0
  3 16  1  0  0  0  0
  3 26  1  0  0  0  0
  3 27  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
  5 10  1  0  0  0  0
  6 11  2  0  0  0  0
  7 17  1  0  0  0  0
  8 12  1  0  0  0  0
  8 18  1  0  0  0  0
  9 13  1  0  0  0  0
  9 19  1  0  0  0  0
 10 14  2  0  0  0  0
 10 20  1  0  0  0  0
 11 15  1  0  0  0  0
 11 21  1  0  0  0  0
 12 15  2  0  0  0  0
 12 22  1  0  0  0  0
 13 16  2  0  0  0  0
 13 23  1  0  0  0  0
 14 16  1  0  0  0  0
 14 24  1  0  0  0  0
 15 25  1  0  0  0  0
M  END

$$$$
D01MUV
  -OEChem-10101305022D

 53 55  0     0  0  0  0  0  0999 V2000
    3.8320    2.2768    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.3660    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.6340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0981    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.1340    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
    3.7320    0.1340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.1340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5981    3.3660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9641    2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4553    3.2660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.3660    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
    5.4641   -2.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.3660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -1.3660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.8660    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
    2.0000   -1.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -1.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.3660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -2.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0747    1.0263    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6762    1.7166    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5200    1.7166    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1215    1.0263    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0747    0.2416    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1350    3.0560    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9081    3.9030    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0611    3.6760    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6541    1.4631    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5010    1.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2741    2.5369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9302    3.6646    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0568    3.7410    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9803    2.8675    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.9860    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2494    2.0647    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9272   -3.1760    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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 10 36  1  0  0  0  0
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 13 16  2  0  0  0  0
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 16 20  1  0  0  0  0
 16 45  1  0  0  0  0
 17 21  2  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
 19 23  2  0  0  0  0
 19 48  1  0  0  0  0
 20 24  2  0  0  0  0
 20 49  1  0  0  0  0
 21 23  1  0  0  0  0
 21 50  1  0  0  0  0
 22 24  1  0  0  0  0
 22 51  1  0  0  0  0
 23 52  1  0  0  0  0
 24 53  1  0  0  0  0
M  END

$$$$
D01MVX
  -OEChem-10101305032D

 70 74  0     0  0  0  0  0  0999 V2000
    4.6660   -3.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    7.3321   -5.7708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.8000   -4.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.7561    4.2153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.7561    6.2847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.6622    5.7708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.7490    3.5954    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
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  1 49  1  0  0  0  0
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  2 18  1  0  0  0  0
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  3 64  1  0  0  0  0
  4 29  1  0  0  0  0
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  7  8  1  0  0  0  0
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  8 39  1  0  0  0  0
  8 40  1  0  0  0  0
  9 10  1  0  0  0  0
  9 41  1  0  0  0  0
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 11 12  1  0  0  0  0
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 13 43  1  0  0  0  0
 13 44  1  0  0  0  0
 14 47  1  0  0  0  0
 14 48  1  0  0  0  0
 15 16  1  0  0  0  0
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 16 17  1  0  0  0  0
 16 50  1  0  0  0  0
 16 51  1  0  0  0  0
 17 19  1  0  0  0  0
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 18 22  2  0  0  0  0
 19 20  1  0  0  0  0
 19 54  1  0  0  0  0
 19 55  1  0  0  0  0
 20 23  1  0  0  0  0
 20 56  1  0  0  0  0
 20 57  1  0  0  0  0
 21 24  1  0  0  0  0
 21 58  1  0  0  0  0
 22 25  1  0  0  0  0
 22 59  1  0  0  0  0
 23 60  1  0  0  0  0
 23 61  1  0  0  0  0
 24 25  2  0  0  0  0
 24 62  1  0  0  0  0
 25 63  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  2  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
 28 65  1  0  0  0  0
 29 32  2  0  0  0  0
 30 33  1  0  0  0  0
 30 66  1  0  0  0  0
 31 67  1  0  0  0  0
 32 34  1  0  0  0  0
 32 68  1  0  0  0  0
 33 34  2  0  0  0  0
 33 69  1  0  0  0  0
 34 70  1  0  0  0  0
M  END

$$$$
D01MWX
  -OEChem-10101305022D

 46 50  0     0  0  0  0  0  0999 V2000
   12.6641   -0.4725    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8602   -0.4725    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2622    2.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2622   -2.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7923    1.0241    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7320    1.0241    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    1.0308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5243    1.0308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5033    1.8988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.0347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5243    1.0347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0210    1.8988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6602    0.5275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8641    0.5275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5961    0.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9282    0.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1282    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.0221    1.0347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.6343    0.4245    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   11.7899    1.6442    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   11.4639   -0.8329    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   10.0150   -1.6546    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  2  0  0  0  0
  2 14  2  0  0  0  0
  3 23  2  0  0  0  0
  4 26  2  0  0  0  0
  5 13  1  0  0  0  0
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  5 39  1  0  0  0  0
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  8 11  1  0  0  0  0
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  8 30  1  0  0  0  0
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 10 33  1  0  0  0  0
 10 34  1  0  0  0  0
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 11 35  1  0  0  0  0
 11 36  1  0  0  0  0
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 15 20  2  0  0  0  0
 15 25  1  0  0  0  0
 16 19  2  0  0  0  0
 16 24  1  0  0  0  0
 17 19  1  0  0  0  0
 17 21  2  0  0  0  0
 17 23  1  0  0  0  0
 18 20  1  0  0  0  0
 18 22  2  0  0  0  0
 18 23  1  0  0  0  0
 19 42  1  0  0  0  0
 20 41  1  0  0  0  0
 21 26  1  0  0  0  0
 21 27  1  0  0  0  0
 22 26  1  0  0  0  0
 22 28  1  0  0  0  0
 24 27  2  0  0  0  0
 24 43  1  0  0  0  0
 25 28  2  0  0  0  0
 25 44  1  0  0  0  0
 27 46  1  0  0  0  0
 28 45  1  0  0  0  0
M  END

$$$$
D01MXN
  -OEChem-10101305022D

 44 48  0     0  0  0  0  0  0999 V2000
    2.0000   -0.2674    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.7326    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    3.7326    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    7.3873   -3.2760    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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 25 26  2  0  0  0  0
 25 42  1  0  0  0  0
 26 44  1  0  0  0  0
M  END

$$$$
D01MYO
  -OEChem-10111523552D

 73 76  0     0  0  0  0  0  0999 V2000
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 37 71  1  0  0  0  0
 37 72  1  0  0  0  0
 37 73  1  0  0  0  0
M  END

$$$$
D01NBF
  -OEChem-10101305022D

 71 73  0     1  0  0  0  0  0999 V2000
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 32 33  1  0  0  0  0
 32 70  1  0  0  0  0
M  END

$$$$
D01NBK
  -OEChem-04152109582D

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 16 22  1  0  0  0  0
 16 23  1  0  0  0  0
 16 24  1  0  0  0  0
M  END

$$$$
D01NCW
  -OEChem-10101305022D

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 27 69  1  0  0  0  0
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 30 34  2  0  0  0  0
 30 35  1  0  0  0  0
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 31 78  1  0  0  0  0
 33 79  1  0  0  0  0
 34 36  1  0  0  0  0
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 35 37  2  0  0  0  0
 35 81  1  0  0  0  0
 36 38  2  0  0  0  0
 36 82  1  0  0  0  0
 37 38  1  0  0  0  0
 37 83  1  0  0  0  0
 38 84  1  0  0  0  0
 39 85  1  0  0  0  0
 39 86  1  0  0  0  0
 39 87  1  0  0  0  0
 40 41  1  0  0  0  0
 40 88  1  0  0  0  0
 40 89  1  0  0  0  0
 41 42  2  0  0  0  0
 41 43  1  0  0  0  0
 42 44  1  0  0  0  0
 42 90  1  0  0  0  0
 43 45  2  0  0  0  0
 43 91  1  0  0  0  0
 44 46  2  0  0  0  0
 44 92  1  0  0  0  0
 45 46  1  0  0  0  0
 45 93  1  0  0  0  0
 46 94  1  0  0  0  0
M  END

$$$$
D01NDE
  -OEChem-10101305022D

 47 46  0     0  0  0  0  0  0999 V2000
    5.4641    0.1830    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.8170    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.3660    0.5490    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.3660   -1.1830    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.1830    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603    0.1830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5263   -0.3170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942   -0.3170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3923    0.1830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    0.1830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2583   -0.3170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -0.3170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1244    0.1830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    0.1830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9904   -0.3170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.3170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8564    0.1830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.3170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.1830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.3170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0588    0.6580    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2617    0.6580    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1278   -0.7919    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9248   -0.7919    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3957   -0.7919    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1928   -0.7919    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.7908    0.6580    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9938    0.6580    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3267    0.6580    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5297    0.6580    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.8598   -0.7919    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.6569   -0.7919    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6636   -0.7919    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4607   -0.7919    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.5229    0.6580    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.7258    0.6580    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5947    0.6580    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7976    0.6580    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.5919   -0.7919    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.3889   -0.7919    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9316   -0.7919    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7287   -0.7919    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.1664   -0.3539    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.3933    0.4930    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.5464    0.7199    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1996   -0.7919    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9966   -0.7919    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 20  1  0  0  0  0
  3 20  1  0  0  0  0
  4 20  1  0  0  0  0
  5 19  2  0  0  0  0
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 18 19  1  0  0  0  0
 18 46  1  0  0  0  0
 18 47  1  0  0  0  0
 19 20  1  0  0  0  0
M  END

$$$$
D01NEZ
  -OEChem-10101305022D

 87 89  0     1  0  0  0  0  0999 V2000
    3.8749    1.2111    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   10.3031    3.7952    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.8260    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.1740    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8335    1.1354    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    7.4620    1.5753    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3330    4.2179    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3131    3.9361    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2931    3.6543    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   10.4440    4.7852    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1622    2.8052    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   11.6667   -3.0581    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
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   10.1279   -2.5581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7060    3.2900    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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   10.7157   -1.7491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.6667   -2.0581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4758   -3.6459    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 30  1  1  6  0  0  0
  2  9  1  0  0  0  0
  2 10  1  0  0  0  0
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 25  3  1  6  0  0  0
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 38  8  1  6  0  0  0
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 13 20  1  0  0  0  0
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 29 15  1  1  0  0  0
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 23 50  1  0  0  0  0
 23 51  1  0  0  0  0
 24 26  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
 26 55  1  0  0  0  0
 27 29  1  0  0  0  0
 29 30  1  0  0  0  0
 29 56  1  0  0  0  0
 30 31  1  0  0  0  0
 30 59  1  0  0  0  0
 31 35  1  0  0  0  0
 31 36  1  0  0  0  0
 31 62  1  0  0  0  0
 32 33  1  0  0  0  0
 32 63  1  0  0  0  0
 32 64  1  0  0  0  0
 33 37  1  0  0  0  0
 33 65  1  0  0  0  0
 33 66  1  0  0  0  0
 34 38  1  0  0  0  0
 35 70  1  0  0  0  0
 35 71  1  0  0  0  0
 35 72  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 39  1  0  0  0  0
 37 40  2  0  0  0  0
 38 41  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
 40 42  1  0  0  0  0
 40 76  1  0  0  0  0
 41 77  1  0  0  0  0
 41 78  1  0  0  0  0
 42 79  1  0  0  0  0
 42 80  1  0  0  0  0
 44 81  1  0  0  0  0
 44 82  1  0  0  0  0
 44 83  1  0  0  0  0
M  CHG  2  10  -1  16   1
M  END

$$$$
D01NFH
  -OEChem-10101305032D

 47 48  0     0  0  0  0  0  0999 V2000
    4.5981    1.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.5000    0.0000 O   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
    3.7320    2.5000    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
    4.5981    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.0000    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
    4.5981    4.0000    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
    6.3301    3.0000    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
    6.3301    4.0000    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
    3.7320   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.5000    0.0000 C   0  0  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   -3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.3800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    0.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3860    4.5826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9875    3.8923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0656    2.0250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8626    2.0250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3426   -0.6077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9441    0.0826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7880    0.0826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3894   -0.6077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5422    2.4174    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9407    3.1077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8626    4.9750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0656    4.9750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9407    3.8923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5422    4.5826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9441   -2.0826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3894   -1.3923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7880   -2.0826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3426   -1.3923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951    2.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291    1.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7880   -2.9174    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3894   -3.6077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3800   -4.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -5.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6200   -4.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 17  2  0  0  0  0
  2 18  2  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  6  1  0  0  0  0
  4 17  1  0  0  0  0
  4 41  1  0  0  0  0
  5  7  1  0  0  0  0
  5 17  1  0  0  0  0
  5 42  1  0  0  0  0
  6  8  1  0  0  0  0
  6  9  1  0  0  0  0
  6 21  1  0  0  0  0
  7 10  1  0  0  0  0
  7 11  1  0  0  0  0
  7 22  1  0  0  0  0
  8 12  1  0  0  0  0
  8 25  1  0  0  0  0
  8 26  1  0  0  0  0
  9 13  1  0  0  0  0
  9 23  1  0  0  0  0
  9 24  1  0  0  0  0
 10 15  1  0  0  0  0
 10 29  1  0  0  0  0
 10 30  1  0  0  0  0
 11 16  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 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 38  1  0  0  0  0
 15 39  1  0  0  0  0
 16 37  1  0  0  0  0
 16 40  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 43  1  0  0  0  0
 19 44  1  0  0  0  0
 20 45  1  0  0  0  0
 20 46  1  0  0  0  0
 20 47  1  0  0  0  0
M  END

$$$$
D01NHH
  -OEChem-10101305022D

 46 49  0     0  0  0  0  0  0999 V2000
    7.2764    0.0547    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2764   -1.5547    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.8600   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8600   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8600   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8600   -1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8600    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   -1.2500    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
    4.5981   -0.2500    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
    5.4641    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
    6.3301    1.7500    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
    2.8660   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.7500    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    2.7500    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
    2.0000   -1.7500    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
    2.0000   -2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4800    0.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   10.4800   -0.7500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8600   -0.1300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2400   -1.7500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8600   -2.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4800   -1.7500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    8.2400    0.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4690    0.6441    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    1.4400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0611    1.4400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.6300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -3.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    3.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0611    3.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    3.8700    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
    2.8660   -3.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -3.0600    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
  1 35  1  0  0  0  0
  2  5  2  0  0  0  0
  2 10  1  0  0  0  0
  3 10  1  0  0  0  0
  3 13  2  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4  7  1  0  0  0  0
  4  8  1  0  0  0  0
  6 27  1  0  0  0  0
  6 28  1  0  0  0  0
  6 29  1  0  0  0  0
  7 30  1  0  0  0  0
  7 31  1  0  0  0  0
  7 32  1  0  0  0  0
  8 26  1  0  0  0  0
  8 33  1  0  0  0  0
  8 34  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 14  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
 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
 16 20  1  0  0  0  0
 16 37  1  0  0  0  0
 17 21  2  0  0  0  0
 17 38  1  0  0  0  0
 18 23  1  0  0  0  0
 18 39  1  0  0  0  0
 19 24  2  0  0  0  0
 19 40  1  0  0  0  0
 20 22  2  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 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 46  1  0  0  0  0
M  END

$$$$
D01NID
  -OEChem-10101305022D

206212  0     1  0  0  0  0  0999 V2000
    7.8283    5.1353    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.8920    4.7840    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.9005   -7.3604    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.6401   -5.1952    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4867   -6.7138    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.5682   -2.2742    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8483   -3.2524    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0009   -6.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7252    1.2222    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.0667    4.3042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1694   -4.3428    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7938   -1.1245    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6045    2.1777    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0622    6.0993    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2636    2.3437    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7948    5.2757    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5978    4.0238    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1731   -5.0299    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.2241   -2.8848    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.3122   -5.8195    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.8845    0.0087    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.9674    2.8313    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4513   -5.0299    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4003   -2.8848    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.7324    4.7840    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7399    0.0087    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6570    2.8313    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.9208   -7.9915    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.5407    8.5252    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.9018    6.3099    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.6732   -3.7193    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.2721   -5.4638    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   14.8396   -0.9903    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.3162   -5.7298    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   14.4412    1.9507    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.5908    4.2711    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   14.4550   -4.3428    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6423   -4.4421    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.6235   -6.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1786    5.0801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9821   -4.4421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0073   -1.9652    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.3082   -5.7298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1377   -6.7138    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   15.8306   -1.1245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6171   -1.9652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7719    5.9936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3608    2.3437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3523   -5.4638    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7503    0.9996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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107201  1  0  0  0  0
107202  1  0  0  0  0
107203  1  0  0  0  0
M  END

$$$$
D01NKF
          07301002082D 1   1.00000     0.00000     0

 26 28  0     0  0            999 V2000
    1.0333   -3.8458    0.0000 N   0  0  0  0  0  0           0  0  0
    1.6068   -3.4300    0.0000 C   0  0  0  0  0  0           0  0  0
    1.3875   -2.7542    0.0000 C   0  0  0  0  0  0           0  0  0
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   -1.3764   -3.7875    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.3776   -4.4982    0.0000 C   0  0  0  0  0  0           0  0  0
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   -0.7646   -3.4330    0.0000 C   0  0  0  0  0  0           0  0  0
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   -1.9912   -4.8520    0.0000 F   0  0  0  0  0  0           0  0  0
  4  5  1  0     0  0
 12 13  2  0     0  0
  6  7  2  0     0  0
 12 14  1  0     0  0
  2  3  2  0     0  0
 14 15  2  0     0  0
  7  8  1  0     0  0
 15 16  1  0     0  0
  1  2  1  0     0  0
 16 17  2  0     0  0
  8  9  2  0     0  0
 17 18  1  0     0  0
  3  4  1  0     0  0
 18 19  2  0     0  0
 19 14  1  0     0  0
  9 10  1  0     0  0
 17 20  1  0     0  0
  5  1  2  0     0  0
 20 21  1  0     0  0
 10 11  2  0     0  0
 18 22  1  0     0  0
 11  6  1  0     0  0
 22 23  1  0     0  0
 10  5  1  0     0  0
 16 24  1  0     0  0
 24 25  1  0     0  0
  2 12  1  0     0  0
  7 26  1  0     0  0
M  END

$$$$
D01NOI
          09141000502D 1   1.00000     0.00000     0

 15 14  0     0  0            999 V2000
   -1.7846    2.3870    0.0000 P   0  0  3  0  0  0           0  0  0
   -2.5719    2.8314    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.0033    1.9349    0.0000 O   0  0  0  0  0  0           0  0  0
   -2.2290    1.5988    0.0000 O   0  0  0  0  0  0           0  0  0
   -1.3360    3.1708    0.0000 O   0  0  0  0  0  0           0  0  0
   -3.3531    2.3690    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.0033    1.0316    0.0000 P   0  0  3  0  0  0           0  0  0
   -4.1370    2.8141    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.0137    0.1318    0.0000 O   0  0  0  0  0  0           0  0  0
   -0.1001    1.0281    0.0000 O   0  0  0  0  0  0           0  0  0
   -1.9101    1.0316    0.0000 O   0  0  0  0  0  0           0  0  0
   -4.9145    2.3578    0.0000 C   0  0  0  0  0  0           0  0  0
   -5.6984    2.8029    0.0000 C   0  0  0  0  0  0           0  0  0
   -4.9080    1.4564    0.0000 C   0  0  0  0  0  0           0  0  0
   -5.7048    3.7043    0.0000 O   0  0  0  0  0  0           0  0  0
  1  5  2  0     0  0
  2  6  1  0     0  0
  3  7  1  0     0  0
  6  8  1  0     0  0
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 12 13  1  0     0  0
  1  3  1  0     0  0
 12 14  1  0     0  0
  1  4  1  0     0  0
 13 15  1  0     0  0
M  END

$$$$
D01NOZ
  -OEChem-10101305022D

 58 60  0     0  0  0  0  0  0999 V2000
    2.0000    2.6160    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.3660    1.2500    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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   12.4725   -1.1887    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.0561   -2.1160    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    0.6160    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.0561   -0.3840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5561   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   15.5561   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.9735   -1.4620    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   16.1387   -1.0380    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   17.6761   -2.1160    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1 32  1  0  0  0  0
  2 32  1  0  0  0  0
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 10 20  1  0  0  0  0
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 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  2  0  0  0  0
 19 44  1  0  0  0  0
 20 21  1  0  0  0  0
 21 45  1  0  0  0  0
 22 49  1  0  0  0  0
 22 50  1  0  0  0  0
 22 51  1  0  0  0  0
 23 46  1  0  0  0  0
 23 47  1  0  0  0  0
 23 48  1  0  0  0  0
 24 25  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 31  1  0  0  0  0
 27 32  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 56  1  0  0  0  0
 30 57  1  0  0  0  0
 31 58  1  0  0  0  0
M  END

$$$$
D01NPA
  -OEChem-10191522292D

159160  0     1  0  0  0  0  0999 V2000
    3.4030    9.4547    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   18.9914   -2.5453    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.9914   -3.5453    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    1.9547    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1972    0.9547    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    7.9547    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.5273   -2.5453    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991    5.4547    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.1254   -7.0453    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0632    0.4547    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.6613   -2.0453    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.7953   -2.5453    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    5.4547    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.3933    1.9547    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.2594    0.4547    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651    0.9547    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   17.2594   -3.5453    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   18.9914   -5.5453    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   22.3061   -8.8817    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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M  END

$$$$
D01NTI
  -OEChem-10101305022D

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  1  7  1  0  0  0  0
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  1 36  1  0  0  0  0
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 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 30  1  0  0  0  0
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 12 34  1  0  0  0  0
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 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 17 38  1  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  2  0  0  0  0
 19 21  1  0  0  0  0
 20 22  1  0  0  0  0
 20 42  1  0  0  0  0
 21 23  2  0  0  0  0
 21 43  1  0  0  0  0
 22 24  2  0  0  0  0
 22 44  1  0  0  0  0
 23 24  1  0  0  0  0
 23 45  1  0  0  0  0
 24 46  1  0  0  0  0
M  END

$$$$
D01NTM
  -OEChem-10101305022D

 33 34  0     1  0  0  0  0  0999 V2000
    2.0000   -0.1867    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.1867    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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    6.1279   -1.1867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.5981   -0.6867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.6867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8550    0.5685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8335    0.7747    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.7320   -0.1867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.1867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8660   -0.6867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1 14  1  0  0  0  0
  1 16  1  0  0  0  0
  2 15  1  0  0  0  0
  3  5  1  0  0  0  0
  3  7  1  0  0  0  0
  3  9  1  0  0  0  0
 10  4  1  1  0  0  0
  4 29  1  0  0  0  0
  4 30  1  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  8  1  0  0  0  0
  6 19  1  0  0  0  0
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  7 11  2  0  0  0  0
  8 12  2  0  0  0  0
  9 10  1  0  0  0  0
  9 21  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  1  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 15  2  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
M  END

$$$$
D01NTN
  -OEChem-10101305022D

 40 40  0     0  0  0  0  0  0999 V2000
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    2.0000    0.0600    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.0600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7320   -4.9400    0.0000 O   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
    5.4641    4.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    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
    4.5981    1.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    5.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.9400    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
    3.7320   -2.9400    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
    2.8660   -1.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8660   -0.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.6762    2.4774    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1 17  1  0  0  0  0
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  4 40  1  0  0  0  0
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  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
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 10 29  1  0  0  0  0
 10 30  1  0  0  0  0
 11 31  1  0  0  0  0
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 11 33  1  0  0  0  0
 12 14  1  0  0  0  0
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 13 17  2  0  0  0  0
 13 18  1  0  0  0  0
 14 19  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
 16 18  2  0  0  0  0
 16 37  1  0  0  0  0
 19 20  1  0  0  0  0
 19 38  1  0  0  0  0
 19 39  1  0  0  0  0
M  END

$$$$
D01NTR
          07071101182D 1   1.00000     0.00000     0

 39 43  0     0  0            999 V2000
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    7.2770   -1.6427    0.0000 N   0  0  3  0  0  0           0  0  0
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    9.1200   -1.3302    0.0000 C   0  0  0  0  0  0           0  0  0
    9.6491   -0.8555    0.0000 C   0  0  0  0  0  0           0  0  0
    9.4994   -0.1576    0.0000 C   0  0  0  0  0  0           0  0  0
    8.8253    0.0595    0.0000 C   0  0  0  0  0  0           0  0  0
    6.8495   -1.0835    0.0000 C   0  0  0  0  0  0           0  0  0
    7.0174   -0.3864    0.0000 C   0  0  0  0  0  0           0  0  0
    6.4983    0.1059    0.0000 C   0  0  0  0  0  0           0  0  0
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 17 18  2  0     0  0
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 17 19  1  0     0  0
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 19 20  1  0     0  0
  3  5  1  0     0  0
 20 21  1  0     0  0
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 21 22  1  0     0  0
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 22 23  1  0     0  0
 11  1  1  0     0  0
 23 24  1  0     0  0
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 23 25  1  0     0  0
 10 11  2  0     0  0
  1 26  2  0     0  0
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 11 12  1  0     0  0
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  4  5  2  0     0  0
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 27 28  1  0     0  0
 28 29  1  0     0  0
 29 30  1  0     0  0
 30 31  1  0     0  0
 13 14  1  0     0  0
  2 32  1  0     0  0
 10  2  1  0     0  0
 32 33  1  0     0  0
 14 15  2  0     0  0
 33 34  2  0     0  0
 15 10  1  0     0  0
 34 35  1  0     0  0
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 35 36  2  0     0  0
  3 16  2  0     0  0
 36 37  1  0     0  0
 37 38  2  0     0  0
 38 33  1  0     0  0
 14 17  1  0     0  0
 37 39  1  0     0  0
  6  7  2  0     0  0
M  END

$$$$
D01NTW
  -OEChem-10101305032D

 23 23  0     0  0  0  0  0  0999 V2000
    2.5369   -2.1550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -3.1550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    2.8450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    2.8450    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    0.3450    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -0.1550    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
    5.1350   -0.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -1.6550    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
    5.1350   -1.6550    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    1.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    2.3450    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
    2.8660   -0.3450    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6720   -0.3450    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6720   -1.9650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.1550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.8450    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8059   -3.4650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    3.4650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5380    2.5350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  1 20  1  0  0  0  0
  2 10  1  0  0  0  0
  2 21  1  0  0  0  0
  3 14  2  0  0  0  0
  4 14  1  0  0  0  0
  4 22  1  0  0  0  0
  4 23  1  0  0  0  0
  5 15  3  0  0  0  0
  6  7  2  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 16  1  0  0  0  0
  8 11  2  0  0  0  0
  8 17  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 18  1  0  0  0  0
 12 13  2  0  0  0  0
 12 19  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
M  END

$$$$
D01NTY
  -OEChem-04152109052D

 16 17  0     0  0  0  0  0  0999 V2000
    7.6648   -0.1900    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    1.8100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0812    0.6147    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    0.3100    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -1.1900    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0812   -0.9947    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -1.1900    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    0.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -0.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -0.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6648   -0.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2738    1.2040    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -1.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.8800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  1  0  0  0  0
  2 10  2  0  0  0  0
  3  8  1  0  0  0  0
  3 12  1  0  0  0  0
  3 13  1  0  0  0  0
  4 10  1  0  0  0  0
  4 11  1  0  0  0  0
  4 14  1  0  0  0  0
  5  9  1  0  0  0  0
  5 11  2  0  0  0  0
  6  9  1  0  0  0  0
  6 12  2  0  0  0  0
  7 11  1  0  0  0  0
  7 15  1  0  0  0  0
  7 16  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
M  END

$$$$
D01NUT
  -OEChem-10101305032D

 67 69  0     0  0  0  0  0  0999 V2000
    7.2764   -0.5302    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.3349    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8600   -3.0670    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8600    0.3971    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.8349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.3349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -1.8349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8600   -1.3349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.6651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8600   -1.3349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2764   -2.1397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3600   -2.2010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.8349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.1651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -2.3349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.1651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.6651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8600   -3.0670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.8349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3600   -0.4689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    3.6651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3600   -2.2010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3600   -0.4689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    2.6651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8600   -1.3349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3600   -3.9330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    4.1651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8600   -4.7990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    5.1651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3600   -5.6651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8600   -4.7990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    5.6651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    5.6651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0747    0.5574    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6762    1.2477    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4690   -2.7290    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0611    0.8551    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -2.9549    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1215    2.7727    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5200    2.0824    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3850   -2.6685    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3850   -3.4655    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0611   -2.1449    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0500    0.0680    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3426    3.5574    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9441    4.2477    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7741    2.1281    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    2.9751    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1541    3.2020    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4800   -1.3349    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9800   -3.9330    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291    3.8551    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951   -0.6449    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4800   -3.0670    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8600   -4.1790    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2400   -4.7990    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8600   -5.4190    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8230   -5.9751    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6700   -6.2020    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8969   -5.3551    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4800    0.3971    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0420    5.1281    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    5.9751    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4220    6.2020    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100    6.2020    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    5.9751    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900    5.1281    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1  8  1  0  0  0  0
  2 13  1  0  0  0  0
  2 53  1  0  0  0  0
  3 22  1  0  0  0  0
  3 54  1  0  0  0  0
  4 23  1  0  0  0  0
  4 61  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  2  0  0  0  0
  6  9  1  0  0  0  0
  6 13  2  0  0  0  0
  7 11  1  0  0  0  0
  7 15  1  0  0  0  0
  8 10  1  0  0  0  0
  8 11  2  0  0  0  0
  9 14  1  0  0  0  0
  9 34  1  0  0  0  0
  9 35  1  0  0  0  0
 10 12  2  0  0  0  0
 10 20  1  0  0  0  0
 11 36  1  0  0  0  0
 12 18  1  0  0  0  0
 12 22  1  0  0  0  0
 13 19  1  0  0  0  0
 14 16  2  0  0  0  0
 14 37  1  0  0  0  0
 15 19  2  0  0  0  0
 15 38  1  0  0  0  0
 16 17  1  0  0  0  0
 16 24  1  0  0  0  0
 17 21  1  0  0  0  0
 17 39  1  0  0  0  0
 17 40  1  0  0  0  0
 18 26  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 23  2  0  0  0  0
 20 44  1  0  0  0  0
 21 27  1  0  0  0  0
 21 45  1  0  0  0  0
 21 46  1  0  0  0  0
 22 25  2  0  0  0  0
 23 25  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 50  1  0  0  0  0
 26 28  2  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  1  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 58  1  0  0  0  0
 30 59  1  0  0  0  0
 30 60  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 65  1  0  0  0  0
 32 66  1  0  0  0  0
 32 67  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
M  END

$$$$
D01NVD
  -OEChem-10101305032D

 49 52  0     0  0  0  0  0  0999 V2000
   10.5109    2.3318    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.5000   -1.8706    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7788    2.3318    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.3231   -0.4729    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.9128    0.8318    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.9067    0.3318    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.5109   -0.6682    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.0046    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.3769    0.8318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3769   -0.1682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3231    1.1366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1808    0.8318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5109    1.3318    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
    9.6448    0.8318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0468    1.3318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5827   -0.6682    0.0000 C   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
    6.1808   -0.1682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4487    0.8318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3147   -0.6682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7788    1.3318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6448   -0.1682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4782   -1.6627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6691   -0.2614    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6338    2.0871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6338   -1.4234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2213   -2.3318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4612    0.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4453    1.8068    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6482    1.8068    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3147    1.9518    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7177   -0.4782    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9118    1.1418    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3147   -1.2882    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9128    0.2118    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1079   -0.4782    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.2231    1.8945    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.8264    2.6764    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.0445    2.2797    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.0445   -1.6160    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.8264   -2.0128    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.2231   -1.2308    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8064   -2.7926    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6820   -2.7467    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6362   -1.8711    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0677    0.8456    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3323    1.3232    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8548    0.5878    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  1  0  0  0  0
  2  8  1  0  0  0  0
  2 24  1  0  0  0  0
  3 22  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 16  1  0  0  0  0
  5 22  1  0  0  0  0
  5 36  1  0  0  0  0
  6 11  2  0  0  0  0
  7 10  2  0  0  0  0
  7 23  1  0  0  0  0
  8 25  2  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 13  2  0  0  0  0
 11 26  1  0  0  0  0
 12 16  1  0  0  0  0
 12 18  2  0  0  0  0
 12 19  1  0  0  0  0
 13 15  1  0  0  0  0
 14 17  1  0  0  0  0
 14 20  2  0  0  0  0
 14 21  1  0  0  0  0
 15 22  1  0  0  0  0
 15 23  2  0  0  0  0
 16 30  1  0  0  0  0
 16 31  1  0  0  0  0
 17 24  2  0  0  0  0
 17 25  1  0  0  0  0
 18 20  1  0  0  0  0
 18 32  1  0  0  0  0
 19 21  2  0  0  0  0
 19 33  1  0  0  0  0
 20 34  1  0  0  0  0
 21 35  1  0  0  0  0
 23 37  1  0  0  0  0
 24 28  1  0  0  0  0
 25 29  1  0  0  0  0
 26 38  1  0  0  0  0
 26 39  1  0  0  0  0
 26 40  1  0  0  0  0
 27 41  1  0  0  0  0
 27 42  1  0  0  0  0
 27 43  1  0  0  0  0
 28 44  1  0  0  0  0
 28 45  1  0  0  0  0
 28 46  1  0  0  0  0
 29 47  1  0  0  0  0
 29 48  1  0  0  0  0
 29 49  1  0  0  0  0
M  END

$$$$
D01NVL
  -OEChem-10101305022D

 30 33  0     0  0  0  0  0  0999 V2000
    6.5180   -3.3588    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -1.3137    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.3137    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5000   -2.1798    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -0.3137    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8980    1.7484    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7320   -0.3137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8660    0.1863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7320   -1.3137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8660   -1.8137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8500    1.2278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6420    0.1931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7480    1.7555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6420   -1.8206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8500   -2.8552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6501    1.2347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6501   -2.8622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7480   -3.3830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7564    2.8405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8167    3.3830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8813    2.8333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4631   -0.0037    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1754   -0.1231    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1754   -1.5044    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3095   -3.1590    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1882    1.5426    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7456   -4.0030    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2945    3.1484    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8143    4.0030    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3408    3.1370    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 17  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2 10  1  0  0  0  0
  5  8  1  0  0  0  0
  5 22  1  0  0  0  0
  6 11  1  0  0  0  0
  6 21  2  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 11  1  0  0  0  0
  9 10  2  0  0  0  0
  9 14  1  0  0  0  0
 10 15  1  0  0  0  0
 11 13  2  0  0  0  0
 12 16  2  0  0  0  0
 12 23  1  0  0  0  0
 13 16  1  0  0  0  0
 13 19  1  0  0  0  0
 14 17  2  0  0  0  0
 14 24  1  0  0  0  0
 15 18  2  0  0  0  0
 15 25  1  0  0  0  0
 16 26  1  0  0  0  0
 17 18  1  0  0  0  0
 18 27  1  0  0  0  0
 19 20  2  0  0  0  0
 19 28  1  0  0  0  0
 20 21  1  0  0  0  0
 20 29  1  0  0  0  0
 21 30  1  0  0  0  0
M  END

$$$$
D01NWQ
  -OEChem-10101305032D

 35 37  0     0  0  0  0  0  0999 V2000
    2.0000   -1.7673    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -1.2673    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.2327    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    0.2327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    1.2327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    0.2327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -0.2673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.2673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    1.7327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    1.2327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.2327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.2673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8222   -0.3020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8222    1.7673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.2673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.2673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7282    0.2119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7282    1.2535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.2327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.7673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.2673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -0.8873    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    2.3527    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6592    1.5427    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.8527    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8150   -0.9220    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8150    2.3873    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -1.5773    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291    0.0427    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2639   -0.1002    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2639    1.5656    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3520    1.2327    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.8527    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1120    1.2327    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.3873    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 21  1  0  0  0  0
  2 12  2  0  0  0  0
  3  8  1  0  0  0  0
  3 12  1  0  0  0  0
  3 25  1  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  4 13  2  0  0  0  0
  5  9  1  0  0  0  0
  5 14  2  0  0  0  0
  6  7  2  0  0  0  0
  6 10  1  0  0  0  0
  6 12  1  0  0  0  0
  7 22  1  0  0  0  0
  8 11  2  0  0  0  0
  8 15  1  0  0  0  0
  9 10  2  0  0  0  0
  9 23  1  0  0  0  0
 10 24  1  0  0  0  0
 11 16  1  0  0  0  0
 11 19  1  0  0  0  0
 13 17  1  0  0  0  0
 13 26  1  0  0  0  0
 14 18  1  0  0  0  0
 14 27  1  0  0  0  0
 15 20  2  0  0  0  0
 15 28  1  0  0  0  0
 16 21  2  0  0  0  0
 16 29  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
 19 32  1  0  0  0  0
 19 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
M  END

$$$$
D01NWS
  -OEChem-10101305022D

 36 38  0     0  0  0  0  0  0999 V2000
    3.4782   -4.3933    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3147   -3.3988    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6691   -2.9920    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3147   -1.3988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3147   -0.3988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4487   -1.8988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3147    1.6012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1808    0.1012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4487    0.1012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1808    1.1012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4487    1.1012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3147    2.6012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4487   -2.8988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4487    3.1012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1808    3.1012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5827   -3.3988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4487    4.1012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1808    4.1012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3147    4.6012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5000   -4.6012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.7352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5268   -1.9814    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9253   -1.2911    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2366   -1.3162    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8381   -2.0064    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7177   -0.2088    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9118   -0.2088    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7177    1.4112    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9118    1.4112    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9118    2.7912    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7177    2.7912    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9118    4.4112    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7177    4.4112    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3147    5.2212    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2478   -5.1676    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3834   -3.6704    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 13  2  0  0  0  0
  3 16  2  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 22  1  0  0  0  0
  4 23  1  0  0  0  0
  5  8  2  0  0  0  0
  5  9  1  0  0  0  0
  6 13  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 28  1  0  0  0  0
 11 29  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
 14 17  1  0  0  0  0
 14 30  1  0  0  0  0
 15 18  2  0  0  0  0
 15 31  1  0  0  0  0
 17 19  2  0  0  0  0
 17 32  1  0  0  0  0
 18 19  1  0  0  0  0
 18 33  1  0  0  0  0
 19 34  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
M  END

$$$$
D01NZS
  -OEChem-10101305022D

 41 43  0     0  0  0  0  0  0999 V2000
    4.9889   -0.9293    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9889    2.5812    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2619    0.8259    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.7619   -1.7722    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.3007   -2.2722    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.7619   -0.0401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7619   -0.0401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2619   -0.9061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2619    0.8259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2619   -0.9061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7619   -1.7722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783    1.6306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783    0.0212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.3259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.3259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.8259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.1741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3497   -0.9631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3497   -2.5812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.3259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.3259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3007   -1.2722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3445    0.1719    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6542    0.5705    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1793   -0.2522    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8695   -0.6507    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6793   -1.1182    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3695   -1.5167    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8445    1.0380    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1542    1.4365    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    9.8695   -2.3827    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.7941    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   11.1581   -0.3735    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1581   -3.1708    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    1.4631    1.6359    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.8023   -0.9077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  2  0  0  0  0
  2 12  2  0  0  0  0
  3  9  1  0  0  0  0
  3 12  1  0  0  0  0
  3 13  1  0  0  0  0
  4 11  1  0  0  0  0
  4 18  1  0  0  0  0
  4 19  1  0  0  0  0
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  6  8  1  0  0  0  0
  6 23  1  0  0  0  0
  6 24  1  0  0  0  0
  7  9  1  0  0  0  0
  7 25  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 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
 13 15  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  2  0  0  0  0
 15 17  2  0  0  0  0
 16 21  1  0  0  0  0
 16 36  1  0  0  0  0
 17 20  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
 20 21  2  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
M  END

$$$$
D01OAG
  -OEChem-10191521292D

 49 49  0     0  0  0  0  0  0999 V2000
    9.0622    3.6900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -2.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -3.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8660   -4.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8660   -2.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7320   -3.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7320   -2.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5000   -1.9440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8660   -1.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5981   -2.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7320   -0.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7320    0.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8660    0.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.5981    1.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4641    2.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4641    3.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5981    3.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3301    3.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1962    3.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3894   -3.7023    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7880   -4.3926    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.2646   -4.7850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9441   -4.3926    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3426   -3.7023    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0369   -1.6340    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1900   -1.4070    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9631   -2.2540    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
    1.3800   -2.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.4300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3291   -1.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9081   -2.8469    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1350   -2.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2881   -1.7731    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2690   -1.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1760    1.2269    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3291    1.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    6.1350    0.3800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0611    2.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0010    1.8800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9081    4.2269    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0611    4.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2881    3.1531    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3301    4.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1962    2.5700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 21  2  0  0  0  0
  2  3  1  0  0  0  0
  2  5  1  0  0  0  0
  2  8  1  0  0  0  0
  2  9  1  0  0  0  0
  3  4  1  0  0  0  0
  3 22  1  0  0  0  0
  3 23  1  0  0  0  0
  4  6  1  0  0  0  0
  4 24  1  0  0  0  0
  4 25  1  0  0  0  0
  5  7  2  0  0  0  0
  5 10  1  0  0  0  0
  6  7  1  0  0  0  0
  6 26  1  0  0  0  0
  6 27  1  0  0  0  0
  7 11  1  0  0  0  0
  8 31  1  0  0  0  0
  8 32  1  0  0  0  0
  8 33  1  0  0  0  0
  9 28  1  0  0  0  0
  9 29  1  0  0  0  0
  9 30  1  0  0  0  0
 10 12  2  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
 11 37  1  0  0  0  0
 12 13  1  0  0  0  0
 12 38  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  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 16  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 18  1  0  0  0  0
 17 44  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  2  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 21  1  0  0  0  0
 20 48  1  0  0  0  0
 21 49  1  0  0  0  0
M  END

$$$$
D01OBJ
  -OEChem-10101305022D

 25 27  0     0  0  0  0  0  0999 V2000
    5.3923   -1.9455    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    7.3991   -1.5351    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5274    1.3255    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.2013    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0274   -0.2133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.3364    0.7377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7183    0.7377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7123   -0.9981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3518    0.9700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7328   -0.7894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3424   -0.9981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0547    0.2013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7029    0.9700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.3780   -1.3310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.5365    1.5618    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1  9  1  0  0  0  0
  2 11  1  0  0  0  0
  2 16  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  3 17  1  0  0  0  0
  4 14  2  0  0  0  0
  4 15  1  0  0  0  0
  5  6  1  0  0  0  0
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  5  9  1  0  0  0  0
  6  8  2  0  0  0  0
  6 12  1  0  0  0  0
  7 10  1  0  0  0  0
  8 14  1  0  0  0  0
  9 11  2  0  0  0  0
 10 13  2  0  0  0  0
 10 18  1  0  0  0  0
 11 13  1  0  0  0  0
 12 15  2  0  0  0  0
 12 19  1  0  0  0  0
 13 20  1  0  0  0  0
 14 21  1  0  0  0  0
 15 22  1  0  0  0  0
 16 23  1  0  0  0  0
 16 24  1  0  0  0  0
 16 25  1  0  0  0  0
M  END

$$$$
D01OCR
  -OEChem-10101305022D

 35 35  0     1  0  0  0  0  0999 V2000
    3.0000    0.4400    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.7320    3.4400    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.0000    0.4400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.4400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -3.5600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    1.4400    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.8660    1.9400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1340    1.9400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -0.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8660    2.9400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.8660   -1.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1340   -2.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8660   -2.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.1340   -4.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5369    1.1300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1  3  2  0  0  0  0
  1  4  2  0  0  0  0
  1  6  1  0  0  0  0
  1  9  1  0  0  0  0
  2 10  1  0  0  0  0
  2 32  1  0  0  0  0
  5 16  1  0  0  0  0
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  6  7  1  0  0  0  0
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  6 18  1  0  0  0  0
  7 10  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
  8 22  1  0  0  0  0
  9 12  2  0  0  0  0
  9 13  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
 11 27  1  0  0  0  0
 12 14  1  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 16  2  0  0  0  0
 14 30  1  0  0  0  0
 15 16  1  0  0  0  0
 15 31  1  0  0  0  0
 17 33  1  0  0  0  0
 17 34  1  0  0  0  0
 17 35  1  0  0  0  0
M  END

$$$$
D01OCZ
  -OEChem-10101305022D

 52 55  0     1  0  0  0  0  0999 V2000
    9.1857    2.1767    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    7.9288    0.9215    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.0628   -0.5785    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
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    7.0628    1.4215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1968    0.9215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8750   -0.3833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0789   -1.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8750    1.2262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4586    0.4215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2868   -0.5854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9288    1.9215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.2787   -1.6270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1 11  2  0  0  0  0
  2 22  1  0  0  0  0
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  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3  9  1  0  0  0  0
  3 25  1  0  0  0  0
  4  7  1  0  0  0  0
  4 11  1  0  0  0  0
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  5  6  1  0  0  0  0
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  6  8  1  0  0  0  0
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  7  8  1  0  0  0  0
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  8 30  1  0  0  0  0
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  9 32  1  0  0  0  0
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 10 15  1  0  0  0  0
 10 34  1  0  0  0  0
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 11 12  1  0  0  0  0
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 14 36  1  0  0  0  0
 14 37  1  0  0  0  0
 14 38  1  0  0  0  0
 15 16  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
 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 22  2  0  0  0  0
 19 43  1  0  0  0  0
 20 23  1  0  0  0  0
 20 24  1  0  0  0  0
 20 44  1  0  0  0  0
 21 22  1  0  0  0  0
 21 45  1  0  0  0  0
 23 46  1  0  0  0  0
 23 47  1  0  0  0  0
 23 48  1  0  0  0  0
 24 49  1  0  0  0  0
 24 50  1  0  0  0  0
 24 51  1  0  0  0  0
M  END

$$$$
D01ODR
  -OEChem-10191521372D

 31 31  0     0  0  0  0  0  0999 V2000
    2.5369   -1.0000    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
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    5.1350    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1 13  1  0  0  0  0
  2 11  1  0  0  0  0
  2 31  1  0  0  0  0
  3 18  3  0  0  0  0
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  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5  8  1  0  0  0  0
  5  9  1  0  0  0  0
  6 10  1  0  0  0  0
  6 11  2  0  0  0  0
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 15 16  2  0  0  0  0
 15 30  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
M  END

$$$$
D01OFD
  -OEChem-10101305022D

147147  0     1  0  0  0  0  0999 V2000
   13.7953   -6.3100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 65144  1  0  0  0  0
 65145  1  0  0  0  0
M  END

$$$$
D01OFH
  -OEChem-10101305022D

 41 42  0     0  0  0  0  0  0999 V2000
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M  END

$$$$
D01OGZ
  -OEChem-10101305032D

 53 56  0     1  0  0  0  0  0999 V2000
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 25 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
M  END

$$$$
D01OHV
  -OEChem-04152108422D

 15 16  0     0  0  0  0  0  0999 V2000
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  1 10  2  0  0  0  0
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  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
M  END

$$$$
D01OIJ
  -OEChem-04152122342D

 61 63  0     1  0  0  0  0  0999 V2000
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 30 32  1  0  0  0  0
 30 54  1  0  0  0  0
 31 55  1  0  0  0  0
 32 56  1  0  0  0  0
M  END

$$$$
D01OIK
  -OEChem-10191522512D

 49 50  0     1  0  0  0  0  0999 V2000
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  7 13  1  0  0  0  0
  7 15  1  0  0  0  0
  7 40  1  0  0  0  0
  8 14  1  0  0  0  0
  8 16  1  0  0  0  0
  8 41  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  1  0  0  0  0
 10 27  1  0  0  0  0
 10 28  1  0  0  0  0
 11 31  1  0  0  0  0
 11 32  1  0  0  0  0
 12 29  1  0  0  0  0
 12 30  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 35  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 18  1  0  0  0  0
 17 39  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 21  1  0  0  0  0
 20 22  1  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 24  2  0  0  0  0
 22 47  1  0  0  0  0
 23 24  1  0  0  0  0
 23 48  1  0  0  0  0
M  END

$$$$
D01OIV
  -OEChem-10191522442D

 47 48  0     1  0  0  0  0  0999 V2000
    3.4030   -0.3450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651    2.1550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651    4.1550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -3.8450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -4.8450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    0.6550    0.0000 N   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
    4.2690   -0.8450    0.0000 C   0  0  3  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
    6.0010    2.1550    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
    6.8671    2.6550    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
    6.8671    3.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -2.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -2.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991    2.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    4.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.4030   -3.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.2690   -3.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3312    2.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651    5.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.6720   -3.6550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8059   -5.1550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6412    2.1181    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8681    2.9650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0212    3.1919    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0851    5.1550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651    5.7750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8451    5.1550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
  1 37  1  0  0  0  0
  2 17  1  0  0  0  0
  2 23  1  0  0  0  0
  3 19  1  0  0  0  0
  3 24  1  0  0  0  0
  4 20  1  0  0  0  0
  4 40  1  0  0  0  0
  5 22  1  0  0  0  0
  5 41  1  0  0  0  0
  6  7  1  0  0  0  0
  6  9  1  0  0  0  0
  6 32  1  0  0  0  0
  7  8  1  0  0  0  0
  7 25  1  0  0  0  0
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  8 11  1  0  0  0  0
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 10 12  1  0  0  0  0
 10 30  1  0  0  0  0
 10 31  1  0  0  0  0
 11 15  2  0  0  0  0
 11 16  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 13 17  1  0  0  0  0
 13 33  1  0  0  0  0
 14 18  2  0  0  0  0
 14 34  1  0  0  0  0
 15 20  1  0  0  0  0
 15 35  1  0  0  0  0
 16 21  2  0  0  0  0
 16 36  1  0  0  0  0
 17 19  2  0  0  0  0
 18 19  1  0  0  0  0
 18 38  1  0  0  0  0
 20 22  2  0  0  0  0
 21 22  1  0  0  0  0
 21 39  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 45  1  0  0  0  0
 24 46  1  0  0  0  0
 24 47  1  0  0  0  0
M  END

$$$$
D01OJG
  -OEChem-10101305032D

 32 34  0     0  0  0  0  0  0999 V2000
    7.9575    0.4812    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1096    2.5503    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4374    0.4812    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6974    1.7412    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1974    0.2024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3884    0.7902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1974   -0.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0064    0.7902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6974    1.7412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6942    1.1503    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3314   -1.2976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0634   -1.2976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9021    2.1285    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7431    0.8413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3314   -2.2976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0634   -2.2976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.1590    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.3084   -0.1253    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1  8  2  0  0  0  0
  2  9  2  0  0  0  0
  3  6  1  0  0  0  0
  3 10  1  0  0  0  0
  3 21  1  0  0  0  0
  4  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 22  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  9  1  0  0  0  0
  7 11  2  0  0  0  0
  7 12  1  0  0  0  0
 10 13  2  0  0  0  0
 10 14  1  0  0  0  0
 11 15  1  0  0  0  0
 11 23  1  0  0  0  0
 12 16  2  0  0  0  0
 12 24  1  0  0  0  0
 13 18  1  0  0  0  0
 13 25  1  0  0  0  0
 14 19  2  0  0  0  0
 14 26  1  0  0  0  0
 15 17  2  0  0  0  0
 15 27  1  0  0  0  0
 16 17  1  0  0  0  0
 16 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
 20 32  1  0  0  0  0
M  END

$$$$
D01OKF
  -OEChem-10101305032D

 43 44  0     0  0  0  0  0  0999 V2000
    2.0000   -5.2500    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -5.2500    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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    4.5981    1.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7320   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -4.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.5981   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.2181    5.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    3.9781    5.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  1  0  0  0  0
  2 13  1  0  0  0  0
  3 16  2  0  0  0  0
  4  6  1  0  0  0  0
  4  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5 16  1  0  0  0  0
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  5 36  1  0  0  0  0
  6  9  2  0  0  0  0
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  8 13  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 28  1  0  0  0  0
 10 15  2  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
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 12 30  1  0  0  0  0
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 13 32  1  0  0  0  0
 13 33  1  0  0  0  0
 14 34  1  0  0  0  0
 15 35  1  0  0  0  0
 17 19  2  0  0  0  0
 17 20  1  0  0  0  0
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 18 22  1  0  0  0  0
 18 23  1  0  0  0  0
 19 21  1  0  0  0  0
 19 37  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 40  1  0  0  0  0
 23 41  1  0  0  0  0
 23 42  1  0  0  0  0
 23 43  1  0  0  0  0
M  END

$$$$
D01OMG
  -OEChem-10191522312D

 27 29  0     0  0  0  0  0  0999 V2000
    5.4791    0.3026    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8611    0.3026    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1701    1.2536    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.7671    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0720   -3.7852    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6701   -1.2852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6701   -0.2852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5823    2.0626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1701    1.2536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8041   -1.7852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5361   -1.7852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.9890    2.9762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  3  1  0  0  0  0
  1  7  1  0  0  0  0
  2  7  2  0  0  0  0
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  3  9  2  0  0  0  0
  4 16  1  0  0  0  0
  4 18  2  0  0  0  0
  5 19  3  0  0  0  0
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  6 11  2  0  0  0  0
  8  9  1  0  0  0  0
  8 13  1  0  0  0  0
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 10 12  2  0  0  0  0
 10 20  1  0  0  0  0
 11 14  1  0  0  0  0
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 12 15  1  0  0  0  0
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 13 22  1  0  0  0  0
 14 15  2  0  0  0  0
 14 23  1  0  0  0  0
 15 24  1  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

$$$$
D01OND
  -OEChem-10101305032D

 35 36  0     0  0  0  0  0  0999 V2000
    4.5981    0.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.7500    0.0000 N   0  0  0  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
    3.7320   -1.2500    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
    4.5981   -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
    5.4641   -2.2500    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
    2.0000   -2.2500    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
    5.4641    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.5991    3.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1 14  1  0  0  0  0
  2 14  2  0  0  0  0
  3  5  1  0  0  0  0
  3 11  1  0  0  0  0
  3 12  1  0  0  0  0
  4 13  1  0  0  0  0
  4 14  1  0  0  0  0
  4 30  1  0  0  0  0
  5  6  2  0  0  0  0
  5  8  1  0  0  0  0
  6  7  1  0  0  0  0
  6 20  1  0  0  0  0
  7  9  2  0  0  0  0
  8 10  2  0  0  0  0
  8 21  1  0  0  0  0
  9 10  1  0  0  0  0
  9 22  1  0  0  0  0
 10 23  1  0  0  0  0
 11 24  1  0  0  0  0
 11 25  1  0  0  0  0
 11 26  1  0  0  0  0
 12 27  1  0  0  0  0
 12 28  1  0  0  0  0
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 13 15  2  0  0  0  0
 13 16  1  0  0  0  0
 15 17  1  0  0  0  0
 15 31  1  0  0  0  0
 16 18  2  0  0  0  0
 16 32  1  0  0  0  0
 17 19  2  0  0  0  0
 17 33  1  0  0  0  0
 18 19  1  0  0  0  0
 18 34  1  0  0  0  0
 19 35  1  0  0  0  0
M  END

$$$$
D01OQW
  -OEChem-04152109002D

 68 75  0     1  0  0  0  0  0999 V2000
    6.9527   -2.7362    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.3145    5.9716    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   10.0438   -0.5394    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
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  2 20  1  0  0  0  0
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  4 26  1  0  0  0  0
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  6 38  1  0  0  0  0
  7 34  1  0  0  0  0
  7 64  1  0  0  0  0
  8 42  1  0  0  0  0
  8 68  1  0  0  0  0
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  9 43  1  6  0  0  0
 10 13  1  0  0  0  0
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 10 44  1  1  0  0  0
 11 15  1  0  0  0  0
 11 16  1  0  0  0  0
 11 45  1  6  0  0  0
 12 18  1  6  0  0  0
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 13 46  1  0  0  0  0
 13 47  1  0  0  0  0
 14 19  2  0  0  0  0
 14 22  1  0  0  0  0
 15 20  1  0  0  0  0
 15 21  2  0  0  0  0
 16 17  2  0  0  0  0
 16 48  1  0  0  0  0
 17 23  1  0  0  0  0
 18 26  2  0  0  0  0
 18 27  1  0  0  0  0
 19 25  1  0  0  0  0
 20 24  2  0  0  0  0
 21 28  1  0  0  0  0
 22 30  2  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
 23 52  1  0  0  0  0
 24 29  1  0  0  0  0
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 25 31  2  0  0  0  0
 25 54  1  0  0  0  0
 26 32  1  0  0  0  0
 27 33  2  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 35  1  0  0  0  0
 30 31  1  0  0  0  0
 30 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
 35 36  2  0  0  0  0
 36 37  1  0  0  0  0
 36 63  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
 39 41  2  0  0  0  0
 39 65  1  0  0  0  0
 40 42  2  0  0  0  0
 40 66  1  0  0  0  0
 41 42  1  0  0  0  0
 41 67  1  0  0  0  0
M  END

$$$$
D01ORL
  -OEChem-10101305022D

 48 51  0     0  0  0  0  0  0999 V2000
    2.5369    2.4680    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1648    0.6020    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0812    2.2728    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.1648   -1.1300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1648   -1.1300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6648   -0.2640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1648    0.6020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6648   -0.2640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6648   -1.9961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6648    1.4680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6648   -1.9961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6648    1.4680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0812    0.6633    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    1.9680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.1648   -2.8621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1648   -1.1300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1648   -2.8621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1648   -1.1300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.6648   -1.9961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.7848   -1.1300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1398   -0.6625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1398    0.1345    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5822   -1.3421    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2725   -1.7406    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7474    0.8141    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0572    1.2126    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1899    0.1345    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1899   -0.6625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0822   -2.2081    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7725   -2.6066    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2474    1.6801    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5572    2.0786    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2738    2.8621    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2738    0.0740    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8548   -3.3990    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8548   -0.5931    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.4748   -3.3990    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.4748   -0.5931    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    3.0880    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -0.1520    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.2848   -1.9961    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.6580    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.1580    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 23  1  0  0  0  0
  1 48  1  0  0  0  0
  2  7  1  0  0  0  0
  2  8  1  0  0  0  0
  2 10  1  0  0  0  0
  3 12  1  0  0  0  0
  3 14  1  0  0  0  0
  3 38  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4  9  1  0  0  0  0
  4 25  1  0  0  0  0
  5  8  1  0  0  0  0
  5 28  1  0  0  0  0
  5 29  1  0  0  0  0
  6  7  1  0  0  0  0
  6 26  1  0  0  0  0
  6 27  1  0  0  0  0
  7 30  1  0  0  0  0
  7 31  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 12  1  0  0  0  0
 10 36  1  0  0  0  0
 10 37  1  0  0  0  0
 11 16  2  0  0  0  0
 11 17  1  0  0  0  0
 12 13  2  0  0  0  0
 13 15  1  0  0  0  0
 13 39  1  0  0  0  0
 14 15  2  0  0  0  0
 14 20  1  0  0  0  0
 15 21  1  0  0  0  0
 16 18  1  0  0  0  0
 16 40  1  0  0  0  0
 17 19  2  0  0  0  0
 17 41  1  0  0  0  0
 18 22  2  0  0  0  0
 18 42  1  0  0  0  0
 19 22  1  0  0  0  0
 19 43  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 45  1  0  0  0  0
 22 46  1  0  0  0  0
 23 24  1  0  0  0  0
 24 47  1  0  0  0  0
M  END

$$$$
D01OTW
  -OEChem-10101305032D

 21 21  0     0  0  0  0  0  0999 V2000
    6.3301    0.8450    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.1550    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.3301    0.8450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3301    0.8450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    1.8450    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
    2.0000    0.3450    0.0000 N   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
    5.4641   -0.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -0.6550    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   -2.1550    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
    2.8660   -0.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331   -0.3450    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9272   -1.9650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -2.7750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    2.1550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7932    2.1550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3335   -1.1300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1306   -1.1300    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  5  1  0  0  0  0
  1  8  1  0  0  0  0
  2  9  1  0  0  0  0
  2 13  1  0  0  0  0
  5 18  1  0  0  0  0
  5 19  1  0  0  0  0
  6 10  2  0  0  0  0
  6 12  1  0  0  0  0
  7 14  3  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
  9 11  1  0  0  0  0
 10 15  1  0  0  0  0
 11 12  2  0  0  0  0
 11 16  1  0  0  0  0
 12 17  1  0  0  0  0
 13 14  1  0  0  0  0
 13 20  1  0  0  0  0
 13 21  1  0  0  0  0
M  END

$$$$
D01OUJ
  -OEChem-10101305022D

 35 35  0     1  0  0  0  0  0999 V2000
    5.4641   -0.7094    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1013    1.7385    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5661    0.0912    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.7906    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.7094    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    5.4071    1.3784    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.0981    2.3294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7891    1.3784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0981    2.3294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.7094    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.5981   -0.2094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.2094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.7094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.7906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3582    1.0694    0.0000 B   0  0  0  0  0  0  0  0  0  0  0  0
    5.5401    0.5388    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7045    2.4583    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0333    2.9460    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2227    1.6305    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4791    0.8414    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1629    2.9460    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4916    2.4583    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -1.0194    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.8294    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.3294    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1120   -1.7094    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3520   -1.7094    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -0.1725    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -1.0194    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   -1.2464    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4860    0.7906    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.4106    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2460    0.7906    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6910    1.5469    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1557   -0.1004    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  2  0  0  0  0
  2 15  1  0  0  0  0
  2 34  1  0  0  0  0
  3 15  1  0  0  0  0
  3 35  1  0  0  0  0
  4  6  1  0  0  0  0
  4  8  1  0  0  0  0
  4 11  1  0  0  0  0
 10  5  1  6  0  0  0
  5 25  1  0  0  0  0
  5 26  1  0  0  0  0
  5 27  1  0  0  0  0
  6  7  1  0  0  0  0
  6 15  1  0  0  0  0
  6 16  1  6  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  9  1  0  0  0  0
  8 19  1  0  0  0  0
  8 20  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 12  1  0  0  0  0
 10 23  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 12 24  1  0  0  0  0
 13 28  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
 14 33  1  0  0  0  0
M  CHG  1   5   1
M  END

$$$$
D01OXV
  -OEChem-10191522102D

 50 53  0     1  0  0  0  0  0999 V2000
    8.3176   -1.8179    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    9.9544    1.5214    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.5670    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.3660    1.9330    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.3660    0.2010    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   14.1634   -0.6625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7624   -0.4102    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    8.7788   -0.0966    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.2788    0.7694    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.9330    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.9330    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.5670    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.9330    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.7569   -0.5147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7734   -0.2011    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   11.3557    0.5034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1746   -1.2192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3611    0.6079    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.1801   -1.1147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3862   -1.2919    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5341    0.1146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1097   -0.8397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -0.4330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3007    0.5615    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
    3.7320   -0.4330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.5670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.0670    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
    2.8660   -1.9330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5808    0.0797    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4089   -0.7027    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9572    0.6533    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3124    1.1218    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0037   -1.8152    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7319   -1.4910    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7445    0.6727    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5785   -1.2647    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2233   -1.7332    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.9044   -1.6820    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.7764   -1.7737    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.0159    0.5048    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.1439    0.5964    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8399    0.9764    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -1.5530    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.6870    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -0.6230    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2460   -1.9330    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.5530    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4860   -1.9330    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 22  1  0  0  0  0
 18  2  1  1  0  0  0
  3 29  1  0  0  0  0
  4 29  1  0  0  0  0
  5 29  1  0  0  0  0
  6 20  1  0  0  0  0
  6 21  1  0  0  0  0
  7 14  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
 15  8  1  6  0  0  0
  8 22  1  0  0  0  0
  9 24  2  0  0  0  0
 10 23  1  0  0  0  0
 10 25  1  0  0  0  0
 10 45  1  0  0  0  0
 11 25  1  0  0  0  0
 11 26  2  0  0  0  0
 12 25  2  0  0  0  0
 12 28  1  0  0  0  0
 13 26  1  0  0  0  0
 13 30  1  0  0  0  0
 13 47  1  0  0  0  0
 14 20  1  0  0  0  0
 14 21  1  0  0  0  0
 14 31  1  0  0  0  0
 15 18  1  0  0  0  0
 15 19  1  0  0  0  0
 15 32  1  0  0  0  0
 16 18  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
 17 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
 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
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 44  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 46  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

$$$$
D01OYC
  -OEChem-10101305022D

 32 33  0     1  0  0  0  0  0999 V2000
    6.0174   -0.5247    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.5099    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    0.5099    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8776   -1.0347    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
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 16 30  1  0  0  0  0
M  END

$$$$
D01OYG
  -OEChem-04152111312D

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 38 39  1  0  0  0  0
M  END

$$$$
D01OZF
  -OEChem-10101305022D

 51 53  0     0  0  0  0  0  0999 V2000
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  1 11  1  0  0  0  0
  2 13  1  0  0  0  0
  2 14  1  0  0  0  0
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  9 12  1  0  0  0  0
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  9 32  1  0  0  0  0
 10 35  1  0  0  0  0
 10 36  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 37  1  0  0  0  0
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 13 39  1  0  0  0  0
 13 40  1  0  0  0  0
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 17 18  2  0  0  0  0
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 18 43  1  0  0  0  0
 19 44  1  0  0  0  0
 21 22  2  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
 23 25  2  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 26  1  0  0  0  0
 25 50  1  0  0  0  0
 26 51  1  0  0  0  0
M  END

$$$$
D01OZL
  -OEChem-10101305022D

 35 36  0     1  0  0  0  0  0999 V2000
    6.0174   -0.0247    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    1.0099    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    1.0099    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8660   -1.5346    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.7262   -2.0446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.9943   -2.0246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7146   -3.0445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0290    0.9752    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    1.5099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.9350    1.4891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.2690    3.0099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    1.5099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    2.5099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3327   -1.2184    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    7.4708    2.8428    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.5369    0.3899    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  9  1  0  0  0  0
  2 10  1  0  0  0  0
  2 16  2  0  0  0  0
  3 16  1  0  0  0  0
  3 34  1  0  0  0  0
  3 35  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4  7  1  0  0  0  0
  4 18  1  0  0  0  0
  5  8  1  0  0  0  0
  5 19  1  0  0  0  0
  5 20  1  0  0  0  0
  6 21  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
  7 25  1  0  0  0  0
  8 26  1  0  0  0  0
  8 27  1  0  0  0  0
  8 28  1  0  0  0  0
  9 10  1  0  0  0  0
  9 12  2  0  0  0  0
 10 11  2  0  0  0  0
 11 13  1  0  0  0  0
 11 15  1  0  0  0  0
 12 14  1  0  0  0  0
 12 29  1  0  0  0  0
 13 14  2  0  0  0  0
 13 30  1  0  0  0  0
 14 31  1  0  0  0  0
 15 17  2  0  0  0  0
 15 32  1  0  0  0  0
 16 17  1  0  0  0  0
 17 33  1  0  0  0  0
M  END

$$$$
D01OZS
  -OEChem-10101305022D

 30 30  0     0  0  0  0  0  0999 V2000
    3.2601   -1.6712    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.4111    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7601   -0.1323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3479    0.6767    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1723    0.6767    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5691   -0.7201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9511   -0.7201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2601   -1.6712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3424    0.5721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4524    1.6712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1778    0.5721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0678    1.6712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7690    0.8989    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.1953   -2.2878    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8665   -1.8001    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    5.4072    1.1887    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.5172    2.2878    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8358    1.7360    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1130    1.1887    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1  7  1  0  0  0  0
  1  8  1  0  0  0  0
  2  7  2  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  1  0  0  0  0
  4 13  1  0  0  0  0
  5 11  1  0  0  0  0
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  5 14  1  0  0  0  0
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  6 15  1  0  0  0  0
  6 16  1  0  0  0  0
  8 17  1  0  0  0  0
  8 18  1  0  0  0  0
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  9 21  1  0  0  0  0
 10 22  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
 11 27  1  0  0  0  0
 12 28  1  0  0  0  0
 12 29  1  0  0  0  0
 12 30  1  0  0  0  0
M  END

$$$$
D01PAC
  -OEChem-10191521192D

 59 63  0     1  0  0  0  0  0999 V2000
    9.7075    1.3384    0.0000 I  -2  0  0  0  0  0  0  0  0  0  0  0
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    5.6848   -0.9040    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    4.4306   -2.8525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7534   -2.5114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9306   -3.7185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4946   -3.4774    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7189   -0.6452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4601    0.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8126   -1.0678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7756    0.8208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9935   -0.4941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1672    1.0279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8192   -2.4866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2354    1.5455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0000   -1.9130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.1599   -2.2947    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8829   -3.1430    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3447   -2.6979    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    8.2825   -4.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0859   -3.6638    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1570   -0.3831    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1 24  1  0  0  0  0
  2  5  1  0  0  0  0
  2  9  1  0  0  0  0
  2 10  1  0  0  0  0
  6  3  1  6  0  0  0
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 10 40  1  0  0  0  0
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 13 15  2  0  0  0  0
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 14 44  1  0  0  0  0
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 17 48  1  0  0  0  0
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 20 50  1  0  0  0  0
 21 27  2  0  0  0  0
 21 51  1  0  0  0  0
 22 26  1  0  0  0  0
 22 52  1  0  0  0  0
 23 27  1  0  0  0  0
 23 53  1  0  0  0  0
 24 28  2  0  0  0  0
 25 29  1  0  0  0  0
 25 54  1  0  0  0  0
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 27 55  1  0  0  0  0
 28 30  1  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
M  ISO  1   1 125
M  END

$$$$
D01PBO
  -OEChem-10101305022D

 45 47  0     1  0  0  0  0  0999 V2000
    5.9019   -0.5090    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END

$$$$
D01PEC
  BIDD-NUS20110812001D

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M  ENDM  END

$$$$
D01PEF
  -OEChem-10101305022D

 29 31  0     0  0  0  0  0  0999 V2000
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M  END

$$$$
D01PES
  -OEChem-10101305022D

 31 33  0     0  0  0  0  0  0999 V2000
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M  END

$$$$
D01PFN
  -OEChem-10101305022D

 33 35  0     0  0  0  0  0  0999 V2000
    6.0174   -0.0726    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.9620    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    0.9620    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8660   -1.5825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1508   -2.2814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5649   -2.2978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8497   -2.9966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8776   -0.5826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0290    0.9273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    1.4620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    2.4620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9350    1.4412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.9350    2.4828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    2.9620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    1.4620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    2.4620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2960   -1.3386    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.5369    0.3420    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 16  2  0  0  0  0
  3 16  1  0  0  0  0
  3 32  1  0  0  0  0
  3 33  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
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  4 18  1  0  0  0  0
  5  7  1  0  0  0  0
  5 19  1  0  0  0  0
  5 20  1  0  0  0  0
  6  7  1  0  0  0  0
  6 21  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 12  2  0  0  0  0
 10 11  2  0  0  0  0
 11 13  1  0  0  0  0
 11 15  1  0  0  0  0
 12 14  1  0  0  0  0
 12 27  1  0  0  0  0
 13 14  2  0  0  0  0
 13 28  1  0  0  0  0
 14 29  1  0  0  0  0
 15 17  2  0  0  0  0
 15 30  1  0  0  0  0
 16 17  1  0  0  0  0
 17 31  1  0  0  0  0
M  END

$$$$
D01PGO
  -OEChem-10191522062D

 49 49  0     1  0  0  0  0  0999 V2000
    3.5823    1.4604    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1810    0.4424    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2313   -2.5004    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7666   -0.8531    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2634   -1.8010    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4013    3.1830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9945    2.2694    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.8080    4.0965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4877    3.5897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3148    2.7762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.1649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7634   -0.2621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1756    0.5469    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7634   -0.2621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4543   -1.2132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0724   -1.2132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3511    0.5469    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5033   -1.5222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0234   -1.5222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1824   -2.8094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3903   -3.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3414   -4.0965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6111    2.3342    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0626    2.2099    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8812    2.5241    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5670    3.3426    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7399    4.1561    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9213    3.8419    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2355    3.0233    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3744    3.8444    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0602    4.6629    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2416    4.3487    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9352    2.7815    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3834    2.1001    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0648    1.5483    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2634   -2.4210    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8527    0.1825    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7156    1.0485    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8496    0.9113    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3117   -0.9326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9136   -1.7138    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6949   -2.1119    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8020   -2.7877    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2687   -2.1954    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7707   -3.8092    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3040   -4.4015    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1498   -4.6862    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9310   -4.2881    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5330   -3.5069    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  7  1  1  1  0  0  0
  1 13  1  0  0  0  0
  2 13  2  0  0  0  0
  3 19  1  0  0  0  0
  3 20  1  0  0  0  0
  4 19  2  0  0  0  0
  5 15  1  0  0  0  0
  5 16  1  0  0  0  0
  5 36  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 23  1  0  0  0  0
  8 30  1  0  0  0  0
  8 31  1  0  0  0  0
  8 32  1  0  0  0  0
  9 27  1  0  0  0  0
  9 28  1  0  0  0  0
  9 29  1  0  0  0  0
 10 24  1  0  0  0  0
 10 25  1  0  0  0  0
 10 26  1  0  0  0  0
 11 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 14  1  0  0  0  0
 12 15  2  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
 16 19  1  0  0  0  0
 17 37  1  0  0  0  0
 17 38  1  0  0  0  0
 17 39  1  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 21  1  0  0  0  0
 20 43  1  0  0  0  0
 20 44  1  0  0  0  0
 21 22  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
M  END

$$$$
D01PGU
  -OEChem-10111523542D

 51 51  0     1  0  0  0  0  0999 V2000
   10.3299   -2.5016    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5896    0.6908    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0544   -0.9565    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7608   -2.8106    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.8097   -2.5016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5698   -2.2228    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0698   -3.7617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3788   -2.8106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8377    1.7772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0698   -3.7617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0666   -3.1707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9717    2.2772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5698   -1.2228    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8377    0.7772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9717    3.2772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9076   -1.8836    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1155   -2.8617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7038   -0.7228    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7038    0.2772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9565   -1.5745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7486   -0.5964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1057    3.7772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7976   -0.2874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3224   -3.2490    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1008   -1.9542    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3211   -2.1199    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    7.4483    1.6695    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    8.2407    0.5872    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1  8  2  0  0  0  0
  2 23  1  0  0  0  0
  2 51  1  0  0  0  0
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  4 24  1  0  0  0  0
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 10 30  1  0  0  0  0
 11 17  2  0  0  0  0
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 12 33  1  0  0  0  0
 13 18  1  0  0  0  0
 13 34  1  0  0  0  0
 14 19  1  0  0  0  0
 14 35  1  0  0  0  0
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 15 22  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 20  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
 18 19  2  0  0  0  0
 18 42  1  0  0  0  0
 19 43  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 23  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
M  END

$$$$
D01PGY
  -OEChem-10101305022D

 50 52  0     1  0  0  0  0  0999 V2000
    9.5987    1.4869    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9447    0.3950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9484    2.5706    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5509    3.9884    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -3.5784    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8744   -0.2737    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.8744   -1.8832    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    7.1962   -1.5784    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -3.0784    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.1367    0.9842    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   11.1384    1.9842    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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 11  2  1  1  0  0  0
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 13  6  1  6  0  0  0
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 20 21  1  0  0  0  0
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 22 24  1  0  0  0  0
 22 39  1  0  0  0  0
 22 40  1  0  0  0  0
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 26 45  1  0  0  0  0
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 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

$$$$
D01PIU
  -OEChem-10101305022D

 32 34  0     0  0  0  0  0  0999 V2000
    2.0000   -2.3227    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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 18 32  1  0  0  0  0
M  END

$$$$
D01PKC
  -OEChem-10191521512D

 58 61  0     1  0  0  0  0  0999 V2000
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 15  7  1  1  0  0  0
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 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

$$$$
D01PLP
  -OEChem-10101305032D

 23 24  0     0  0  0  0  0  0999 V2000
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 14 20  1  0  0  0  0
M  END

$$$$
D01PNM
  -OEChem-04152109462D

 62 64  0     1  0  0  0  0  0999 V2000
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 32 60  1  0  0  0  0
M  END

$$$$
D01POG
  -OEChem-04152109372D

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 25 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
 27 63  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 31  2  0  0  0  0
 30 32  1  0  0  0  0
 31 33  1  0  0  0  0
 32 34  2  0  0  0  0
 32 68  1  0  0  0  0
 33 35  2  0  0  0  0
 33 70  1  0  0  0  0
 34 35  1  0  0  0  0
 34 71  1  0  0  0  0
M  END

$$$$
D01PPZ
  -OEChem-10101305022D

 46 47  0     1  0  0  0  0  0999 V2000
    3.7320    1.3794    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.8794    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    8.7260    0.8794    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.1206    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    2.8794    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.7422   -2.0326    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    9.4315   -1.0821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4530   -0.8759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7207   -2.2388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0744   -2.7769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    0.3794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    1.3794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0314   -3.1894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    1.8794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1424    1.6841    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.3794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.3794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.1206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.8794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.8794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.3794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9348   -2.6220    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0454   -0.9948    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4521   -0.4624    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8392   -0.9632    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4325   -1.4956    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3345   -2.1515    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7413   -1.6192    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6129   -2.3629    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6603   -3.2384    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5358   -3.1910    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4420   -3.3820    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2240   -3.7787    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.6207   -2.9968    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3350    2.2734    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2881    0.4163    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0611   -0.4306    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9081   -0.6576    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    3.1894    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7932    3.1894    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2646    2.3543    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4675    2.3543    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900    1.9163    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    1.0694    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100    0.8424    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 20  1  0  0  0  0
  1 21  1  0  0  0  0
  2 20  2  0  0  0  0
  3  4  1  0  0  0  0
  3  9  1  0  0  0  0
  3 12  1  0  0  0  0
  4 16  2  0  0  0  0
  5 12  2  0  0  0  0
  5 18  1  0  0  0  0
  6 15  1  0  0  0  0
  6 40  1  0  0  0  0
  6 41  1  0  0  0  0
  7  8  1  0  0  0  0
  7 10  1  0  0  0  0
  7 11  1  0  0  0  0
  7 23  1  0  0  0  0
  8  9  1  0  0  0  0
  8 24  1  0  0  0  0
  8 25  1  0  0  0  0
  9 26  1  0  0  0  0
  9 27  1  0  0  0  0
 10 14  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
 11 32  1  0  0  0  0
 12 13  1  0  0  0  0
 13 15  2  0  0  0  0
 13 16  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 17  1  0  0  0  0
 16 36  1  0  0  0  0
 17 18  2  0  0  0  0
 17 20  1  0  0  0  0
 18 19  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
 21 22  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

$$$$
D01PSS
  -OEChem-10101305032D

 43 44  0     1  0  0  0  0  0999 V2000
    6.4021   -2.4172    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
    7.9844   -3.1217    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
    9.5668   -3.8262    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    4.5411    0.0474    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6443   -1.7127    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8144   -1.6082    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.6352    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9899   -3.2262    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2112   -1.8294    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5931   -3.0050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    4.6352    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9790   -3.0171    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0890   -4.1162    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8799   -2.1271    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1545   -4.6352    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3758   -3.2384    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7577   -4.4139    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.6352    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    3.1352    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    2.9230    0.0474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8198   -1.7127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    2.1352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.1352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    3.1352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    3.6352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5135   -1.4561    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.2845    0.9166    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2626   -1.9845    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9907   -2.3087    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0277   -1.6479    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    1.8252    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291    3.4452    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    3.4452    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1464   -1.2128    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5874   -4.4806    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7711   -4.5704    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3110   -2.6218    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  8  1  0  0  0  0
  1  9  1  0  0  0  0
  1 10  2  0  0  0  0
  2  8  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 21  1  0  0  0  0
  4 23  1  0  0  0  0
 20  5  1  1  0  0  0
  5 36  1  0  0  0  0
  6 24  1  0  0  0  0
  7 25  2  0  0  0  0
  9 40  1  0  0  0  0
 11 28  2  0  0  0  0
 13 41  1  0  0  0  0
 15 42  1  0  0  0  0
 16 43  1  0  0  0  0
 23 18  1  6  0  0  0
 18 25  1  0  0  0  0
 18 26  1  0  0  0  0
 19 25  1  0  0  0  0
 19 28  1  0  0  0  0
 19 38  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
 20 29  1  0  0  0  0
 21 24  1  6  0  0  0
 21 30  1  0  0  0  0
 22 23  1  0  0  0  0
 22 31  1  0  0  0  0
 22 32  1  0  0  0  0
 23 33  1  0  0  0  0
 24 34  1  0  0  0  0
 24 35  1  0  0  0  0
 26 27  2  0  0  0  0
 26 37  1  0  0  0  0
 27 28  1  0  0  0  0
 27 39  1  0  0  0  0
M  END

$$$$
D01PSU
  -OEChem-10101305032D

 32 35  0     0  0  0  0  0  0999 V2000
    2.0000    0.1628    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    8.0434    2.5924    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.4008   -2.5924    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1871    1.6624    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    8.6577   -1.3372    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1279   -0.8372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1279   -0.8372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5443   -0.0324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.3372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.3372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7115   -0.0324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6620   -0.3431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7115   -1.6419    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.1628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.8372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5053    0.9461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.3372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.3372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4063    0.3247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2496    1.6139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2001    1.3032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7369   -2.2312    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.7828    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.4572    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9160    1.1387    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4616    1.0459    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -1.6472    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9957    0.1321    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6616    1.7173    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3797    2.2517    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 19  1  0  0  0  0
  2 22  1  0  0  0  0
  3 15  2  0  0  0  0
  4  6  1  0  0  0  0
  4 32  1  0  0  0  0
  5  8  1  0  0  0  0
  5 12  1  0  0  0  0
  5 24  1  0  0  0  0
  6 10  1  0  0  0  0
  6 28  1  0  0  0  0
  7 14  2  0  0  0  0
  7 15  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  2  0  0  0  0
  9 13  2  0  0  0  0
  9 15  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 16  1  0  0  0  0
 12 17  1  0  0  0  0
 13 14  1  0  0  0  0
 13 18  1  0  0  0  0
 14 21  1  0  0  0  0
 16 19  2  0  0  0  0
 16 25  1  0  0  0  0
 17 20  2  0  0  0  0
 17 26  1  0  0  0  0
 18 22  2  0  0  0  0
 18 27  1  0  0  0  0
 19 20  1  0  0  0  0
 20 29  1  0  0  0  0
 21 23  2  0  0  0  0
 21 30  1  0  0  0  0
 22 23  1  0  0  0  0
 23 31  1  0  0  0  0
M  END

$$$$
D01PTE
  -OEChem-10101305022D

 34 36  0     0  0  0  0  0  0999 V2000
    5.4641    0.7673    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9446   -2.2673    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    0.7673    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.8622    0.2881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9561    0.8020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8622   -0.7535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    0.2673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -0.7327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9561   -1.2674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -1.2327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.2673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.7327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.2673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.7673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.7673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.2673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    2.2673    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    1.7673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END

$$$$
D01PWM
  -OEChem-10191522172D

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M  END

$$$$
D01PWO
  -OEChem-10101305022D

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  1 10  1  0  0  0  0
  1 11  1  0  0  0  0
  2 14  1  0  0  0  0
  2 32  1  0  0  0  0
  3 14  2  0  0  0  0
  4  7  1  0  0  0  0
  5  7  2  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 13  1  0  0  0  0
  8  9  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 14  1  0  0  0  0
  9 21  1  0  0  0  0
 10 22  1  0  0  0  0
 10 23  1  0  0  0  0
 11 12  1  0  0  0  0
 11 24  1  0  0  0  0
 11 25  1  0  0  0  0
 12 13  1  0  0  0  0
 12 15  2  0  0  0  0
 13 16  2  0  0  0  0
 15 17  1  0  0  0  0
 15 28  1  0  0  0  0
 16 18  1  0  0  0  0
 16 29  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  CHG  2   4  -1   7   1
M  END

$$$$
D01PYU
  -OEChem-10101305032D

 57 61  0     1  0  0  0  0  0999 V2000
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    4.6783   -1.2141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2566    1.0994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.5188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.2136    1.5118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8564    3.2066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.7619   -1.1528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2619   -2.0188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1921    1.7180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8349    3.4129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5028    2.6686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4030   -0.7250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9880   -0.6770    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5812   -0.1447    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7742    0.7728    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9385   -0.0072    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6112    2.0509    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0179    1.5186    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1366    1.9651    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3790    2.2127    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2772    0.4797    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8704    1.0120    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    9.0210    0.9225    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   10.6062    1.2566    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0276    4.0022    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1095    2.7964    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
  1  9  1  0  0  0  0
  2 11  1  0  0  0  0
  2 12  1  0  0  0  0
  2 43  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3  8  1  0  0  0  0
  3 30  1  0  0  0  0
  4 31  1  0  0  0  0
  4 32  1  0  0  0  0
  5  6  1  0  0  0  0
  5 33  1  0  0  0  0
  5 34  1  0  0  0  0
  6  7  1  0  0  0  0
  6 35  1  0  0  0  0
  6 36  1  0  0  0  0
  7 37  1  0  0  0  0
  7 38  1  0  0  0  0
  8 10  1  0  0  0  0
  8 11  2  0  0  0  0
  9 13  1  0  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 15  2  0  0  0  0
 11 14  1  0  0  0  0
 12 16  2  0  0  0  0
 13 17  1  0  0  0  0
 13 41  1  0  0  0  0
 13 42  1  0  0  0  0
 14 20  2  0  0  0  0
 14 21  1  0  0  0  0
 15 18  1  0  0  0  0
 15 44  1  0  0  0  0
 16 19  1  0  0  0  0
 16 45  1  0  0  0  0
 17 22  2  0  0  0  0
 17 23  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
 20 24  1  0  0  0  0
 20 48  1  0  0  0  0
 21 25  2  0  0  0  0
 21 49  1  0  0  0  0
 22 27  1  0  0  0  0
 22 50  1  0  0  0  0
 23 28  2  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 26  1  0  0  0  0
 25 53  1  0  0  0  0
 26 54  1  0  0  0  0
 27 29  2  0  0  0  0
 27 55  1  0  0  0  0
 28 29  1  0  0  0  0
 28 56  1  0  0  0  0
 29 57  1  0  0  0  0
M  END

$$$$
D01PZP
  -OEChem-10191522132D

 32 31  0     1  0  0  0  0  0999 V2000
    2.5369   -0.4330    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651    0.5670    0.0000 O   0  0  0  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
    6.0010    0.5670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.5670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.5991    0.0670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  7  1  0  0  0  0
  1 31  1  0  0  0  0
  2 12  2  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3 13  1  0  0  0  0
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  4  6  1  0  0  0  0
  4 15  1  0  0  0  0
  4 16  1  0  0  0  0
  5  7  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  9  1  0  0  0  0
  6 19  1  0  0  0  0
  7 10  1  0  0  0  0
  7 11  1  0  0  0  0
  8 12  1  0  0  0  0
  8 20  1  0  0  0  0
  8 21  1  0  0  0  0
  9 22  1  0  0  0  0
  9 23  1  0  0  0  0
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 10 28  1  0  0  0  0
 10 29  1  0  0  0  0
 10 30  1  0  0  0  0
 11 25  1  0  0  0  0
 11 26  1  0  0  0  0
 11 27  1  0  0  0  0
 12 32  1  0  0  0  0
M  END

$$$$
D01PZU
  -OEChem-10101305022D

 46 48  0     0  0  0  0  0  0999 V2000
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 20 34  1  0  0  0  0
 22 35  1  0  0  0  0
 22 36  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
 23 40  1  0  0  0  0
 24 25  1  0  0  0  0
 24 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

$$$$
D01QBK
  -OEChem-10101305022D

 31 33  0     0  0  0  0  0  0999 V2000
    6.2619   -0.6731    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.6783    0.1316    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783   -1.4779    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.3269    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.1732    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.6732    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9889    1.0821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9674    1.2883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3211    1.8264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2781    2.2388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6318    2.7769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6103    2.9832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.1731    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2619   -0.6731    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.1732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.6732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.1731    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4030    0.6206    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    6.5812    1.2010    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7742    2.1184    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9385    1.3385    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8250    1.9468    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.6112    3.3966    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0179    2.8643    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1366    3.3108    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3790    3.5584    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    0.1369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -2.9832    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -2.9832    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 14  1  0  0  0  0
  2  7  1  0  0  0  0
  2 13  1  0  0  0  0
  2 14  1  0  0  0  0
  3 14  2  0  0  0  0
  3 15  1  0  0  0  0
  4 13  2  0  0  0  0
  4 17  1  0  0  0  0
  5 16  1  0  0  0  0
  5 17  2  0  0  0  0
  6 16  1  0  0  0  0
  6 30  1  0  0  0  0
  6 31  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  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 12  1  0  0  0  0
 10 23  1  0  0  0  0
 10 24  1  0  0  0  0
 11 12  1  0  0  0  0
 11 25  1  0  0  0  0
 11 26  1  0  0  0  0
 12 27  1  0  0  0  0
 12 28  1  0  0  0  0
 13 15  1  0  0  0  0
 15 16  2  0  0  0  0
 17 29  1  0  0  0  0
M  END

$$$$
D01QCJ
  -OEChem-10101305032D

 43 46  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
   11.1972   -3.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -1.7500    0.0000 N   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
    6.8671    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331   -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
    7.7331   -0.2500    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
    6.8671    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991   -1.7500    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   -2.7500    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
    6.0010    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991   -2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651   -1.2500    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
    4.2690   -3.2500    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
    7.7331    2.7500    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
   10.3312   -1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651   -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
   10.3312   -2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    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
    8.2700    0.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -0.6300    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
    8.2700    1.4400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.4400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651   -0.6300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -3.0600    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
    4.2690   -3.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2700    3.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    3.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8681   -1.4400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651   -3.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    3.8700    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 20  1  0  0  0  0
  1 43  1  0  0  0  0
  2 26  2  0  0  0  0
  3  4  1  0  0  0  0
  3  6  1  0  0  0  0
  3 28  1  0  0  0  0
  4  7  2  0  0  0  0
  4  9  1  0  0  0  0
  5  7  1  0  0  0  0
  5  8  2  0  0  0  0
  5 10  1  0  0  0  0
  6  8  1  0  0  0  0
  6 11  2  0  0  0  0
  7 27  1  0  0  0  0
  8 29  1  0  0  0  0
  9 12  2  0  0  0  0
  9 13  1  0  0  0  0
 10 14  2  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
 12 18  1  0  0  0  0
 12 30  1  0  0  0  0
 13 19  2  0  0  0  0
 13 31  1  0  0  0  0
 14 21  1  0  0  0  0
 14 32  1  0  0  0  0
 15 22  2  0  0  0  0
 15 33  1  0  0  0  0
 16 24  2  0  0  0  0
 16 35  1  0  0  0  0
 17 23  2  0  0  0  0
 17 34  1  0  0  0  0
 18 20  2  0  0  0  0
 18 36  1  0  0  0  0
 19 20  1  0  0  0  0
 19 37  1  0  0  0  0
 21 25  2  0  0  0  0
 21 38  1  0  0  0  0
 22 25  1  0  0  0  0
 22 39  1  0  0  0  0
 23 26  1  0  0  0  0
 23 40  1  0  0  0  0
 24 26  1  0  0  0  0
 24 41  1  0  0  0  0
 25 42  1  0  0  0  0
M  END

$$$$
D01QDG
  -OEChem-10101305022D

 30 32  0     0  0  0  0  0  0999 V2000
    6.4144    1.7623    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660   -2.2723    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9176    1.7623    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660    0.7277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321    0.2277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000    0.2277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321   -0.7723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000   -0.7723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660   -1.2723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4260    0.7624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9061    0.7624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4260   -1.3070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9061   -1.3070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3321    0.2485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3321   -0.7931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.2485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.7931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.2723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0646    1.2027    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2675    1.2027    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.9132   -1.9269    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    1.4643    0.5606    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4643   -1.1052    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3843    2.0785    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
  1 18  1  0  0  0  0
  2  9  2  0  0  0  0
  3 11  1  0  0  0  0
  3 27  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4 19  1  0  0  0  0
  4 20  1  0  0  0  0
  5  7  2  0  0  0  0
  5 10  1  0  0  0  0
  6  8  2  0  0  0  0
  6 11  1  0  0  0  0
  7  9  1  0  0  0  0
  7 12  1  0  0  0  0
  8  9  1  0  0  0  0
  8 13  1  0  0  0  0
 10 14  2  0  0  0  0
 11 16  2  0  0  0  0
 12 15  2  0  0  0  0
 12 21  1  0  0  0  0
 13 17  2  0  0  0  0
 13 22  1  0  0  0  0
 14 15  1  0  0  0  0
 14 23  1  0  0  0  0
 15 24  1  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 28  1  0  0  0  0
 18 29  1  0  0  0  0
 18 30  1  0  0  0  0
M  END

$$$$
D01QJT
  -OEChem-10191522082D

 47 49  0     1  0  0  0  0  0999 V2000
   10.3312   -2.0600    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   10.3787    1.0333    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    2.9400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991    2.9400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -3.0600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.5369   -1.5600    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    8.5991   -0.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    1.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.8671   -2.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0010   -1.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.1350   -2.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.0478    1.7764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5478    2.6424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.0423    1.6719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -2.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991    1.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    7.5210    0.8574    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -0.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0021   -0.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991   -2.6800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    7.4040   -3.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8000    3.2088    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
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    3.8705   -1.0850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   11.9775    1.0553    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.6589    1.6071    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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 27 43  1  0  0  0  0
 27 44  1  0  0  0  0
M  END

$$$$
D01QKK
  -OEChem-10101305022D

 70 74  0     1  0  0  0  0  0999 V2000
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M  END

$$$$
D01QKX
  -OEChem-10101305022D

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   15.5273    8.9050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 29  1  0  0  0  0
  1 79  1  0  0  0  0
  2 29  2  0  0  0  0
  3  4  1  0  0  0  0
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  3 30  1  0  0  0  0
  3 31  1  0  0  0  0
  4  6  1  0  0  0  0
  4 32  1  0  0  0  0
  4 33  1  0  0  0  0
  5  7  1  0  0  0  0
  5 34  1  0  0  0  0
  5 35  1  0  0  0  0
  6  8  1  0  0  0  0
  6 36  1  0  0  0  0
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  7  9  1  0  0  0  0
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  8 10  1  0  0  0  0
  8 40  1  0  0  0  0
  8 41  1  0  0  0  0
  9 11  1  0  0  0  0
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 10 12  1  0  0  0  0
 10 44  1  0  0  0  0
 10 45  1  0  0  0  0
 11 13  1  0  0  0  0
 11 46  1  0  0  0  0
 11 47  1  0  0  0  0
 12 14  1  0  0  0  0
 12 48  1  0  0  0  0
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 13 15  1  0  0  0  0
 13 50  1  0  0  0  0
 13 51  1  0  0  0  0
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 14 53  1  0  0  0  0
 15 18  1  0  0  0  0
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 16 17  1  0  0  0  0
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 16 57  1  0  0  0  0
 17 19  1  0  0  0  0
 17 58  1  0  0  0  0
 17 59  1  0  0  0  0
 18 20  1  0  0  0  0
 18 60  1  0  0  0  0
 18 61  1  0  0  0  0
 19 62  1  0  0  0  0
 19 63  1  0  0  0  0
 19 64  1  0  0  0  0
 20 21  2  0  0  0  0
 20 65  1  0  0  0  0
 21 22  1  0  0  0  0
 21 66  1  0  0  0  0
 22 23  1  0  0  0  0
 22 67  1  0  0  0  0
 22 68  1  0  0  0  0
 23 24  1  0  0  0  0
 23 69  1  0  0  0  0
 23 70  1  0  0  0  0
 24 26  2  0  0  0  0
 24 71  1  0  0  0  0
 25 26  1  0  0  0  0
 25 27  1  0  0  0  0
 25 72  1  0  0  0  0
 25 73  1  0  0  0  0
 26 74  1  0  0  0  0
 27 28  1  0  0  0  0
 27 75  1  0  0  0  0
 27 76  1  0  0  0  0
 28 29  1  0  0  0  0
 28 77  1  0  0  0  0
 28 78  1  0  0  0  0
M  END

$$$$
D01QNO
          07221001132D 1   1.00000     0.00000     0

 20 20  0     0  0            999 V2000
    5.0172   -5.1860    0.0000 N   0  0  0  0  0  0           0  0  0
    5.6318   -5.5381    0.0000 C   0  0  0  0  0  0           0  0  0
    6.2441   -5.1820    0.0000 N   0  0  0  0  0  0           0  0  0
    5.6342   -6.2465    0.0000 C   0  0  0  0  0  0           0  0  0
    6.8587   -5.5341    0.0000 C   0  0  0  0  0  0           0  0  0
    7.4710   -5.1779    0.0000 N   0  0  0  0  0  0           0  0  0
    5.0219   -6.6026    0.0000 C   0  0  0  0  0  0           0  0  0
    6.2488   -6.5986    0.0000 C   0  0  0  0  0  0           0  0  0
    6.8583   -6.9500    0.0000 N   0  0  0  0  0  0           0  0  0
    5.0242   -7.3110    0.0000 O   0  0  0  0  0  0           0  0  0
    5.0149   -4.4777    0.0000 C   0  0  0  0  0  0           0  0  0
    5.6283   -4.1260    0.0000 C   0  0  0  0  0  0           0  0  0
    5.6262   -3.4183    0.0000 C   0  0  0  0  0  0           0  0  0
    5.0112   -3.0655    0.0000 C   0  0  0  0  0  0           0  0  0
    4.3969   -3.4255    0.0000 C   0  0  0  0  0  0           0  0  0
    4.4019   -4.1320    0.0000 C   0  0  0  0  0  0           0  0  0
    5.0079   -2.3571    0.0000 Cl  0  0  0  0  0  0           0  0  0
    4.4073   -6.2505    0.0000 O   0  0  0  0  0  0           0  0  0
    3.7950   -6.6067    0.0000 C   0  0  0  0  0  0           0  0  0
    3.1804   -6.2545    0.0000 C   0  0  0  0  0  0           0  0  0
  2  3  1  0     0  0
  1 11  1  0     0  0
  5  6  1  0     0  0
 11 12  2  0     0  0
  1  2  1  0     0  0
 12 13  1  0     0  0
  4  7  1  0     0  0
 13 14  2  0     0  0
  2  4  2  0     0  0
 14 15  1  0     0  0
  4  8  1  0     0  0
 15 16  2  0     0  0
 16 11  1  0     0  0
 14 17  1  0     0  0
  8  9  3  0     0  0
  7 18  1  0     0  0
  3  5  2  0     0  0
 18 19  1  0     0  0
  7 10  2  0     0  0
 19 20  1  0     0  0
M  END

$$$$
D01QOB
  -OEChem-10101305022D

 37 37  0     0  0  0  0  0  0999 V2000
    3.7320   -2.5600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.9400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    2.9400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    4.9400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.9400    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    4.4400    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -4.0600    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
    2.8660   -3.0600    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
    2.0000   -5.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.0600    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
    3.7320    1.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.9400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    3.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0781   -4.6426    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4766   -3.9523    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7880   -3.9774    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3894   -4.6677    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6540   -2.4774    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    1.3800   -5.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -6.1800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6200   -5.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -1.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -1.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    0.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291    0.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    1.6300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3860    3.5226    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9875    2.8323    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9272    4.7500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    5.5600    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 17  2  0  0  0  0
  3 19  2  0  0  0  0
  4  6  1  0  0  0  0
  4 37  1  0  0  0  0
  5 17  1  0  0  0  0
  5 18  1  0  0  0  0
  5 33  1  0  0  0  0
  6 19  1  0  0  0  0
  6 36  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 11  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 13  2  0  0  0  0
 10 14  1  0  0  0  0
 11 26  1  0  0  0  0
 11 27  1  0  0  0  0
 11 28  1  0  0  0  0
 12 15  2  0  0  0  0
 12 16  1  0  0  0  0
 12 17  1  0  0  0  0
 13 15  1  0  0  0  0
 13 29  1  0  0  0  0
 14 16  2  0  0  0  0
 14 30  1  0  0  0  0
 15 31  1  0  0  0  0
 16 32  1  0  0  0  0
 18 19  1  0  0  0  0
 18 34  1  0  0  0  0
 18 35  1  0  0  0  0
M  END

$$$$
D01QOU
  -OEChem-10101305022D

 34 34  0     0  0  0  0  0  0999 V2000
    6.3301    4.5000    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    6.3301    3.5000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    4.5981    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -4.5000    0.0000 N   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
    4.5981   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.0000    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
    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
    5.4641    0.0000    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   -2.5000    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
    5.4641    2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -4.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2 20  1  0  0  0  0
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  4 15  1  0  0  0  0
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  5  6  1  0  0  0  0
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  5 21  1  0  0  0  0
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  6  8  2  0  0  0  0
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  7 14  1  0  0  0  0
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 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 10 13  1  0  0  0  0
 11 25  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 17  2  0  0  0  0
 14 28  1  0  0  0  0
 15 29  1  0  0  0  0
 16 19  1  0  0  0  0
 16 20  1  0  0  0  0
 17 18  1  0  0  0  0
 17 30  1  0  0  0  0
 18 34  1  0  0  0  0
 19 31  1  0  0  0  0
 19 32  1  0  0  0  0
 19 33  1  0  0  0  0
M  CHG  2   1   1   2  -1
M  END

$$$$
D01QQD
  -OEChem-04152122342D

 58 59  0     1  0  0  0  0  0999 V2000
    5.4641   -1.6550    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    2.8450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    7.1962    4.3450    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7320    1.3450    0.0000 C   0  0  1  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   -2.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.1962   -2.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.4641    3.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 28 52  1  0  0  0  0
 29 53  1  0  0  0  0
M  END

$$$$
D01QRR
  -OEChem-10101305022D

 52 55  0     1  0  0  0  0  0999 V2000
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 10  3  1  1  0  0  0
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 11  4  1  6  0  0  0
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 27 52  1  0  0  0  0
M  END

$$$$
D01QSU
  -OEChem-04152110082D

 88 88  0     1  0  0  0  0  0999 V2000
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 29  7  1  1  0  0  0
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 36 75  1  0  0  0  0
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 37 39  1  0  0  0  0
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 38 80  1  0  0  0  0
 39 40  1  0  0  0  0
 39 41  2  0  0  0  0
 40 84  1  0  0  0  0
 40 85  1  0  0  0  0
 40 86  1  0  0  0  0
 41 87  1  0  0  0  0
 41 88  1  0  0  0  0
M  END

$$$$
D01QWL
  -OEChem-10101305022D

 70 70  0     0  0  0  0  0  0999 V2000
    7.7331    4.5950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    8.5950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    7.5950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    4.5950    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991    1.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.5991   -5.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991   -4.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    1.5950    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
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   10.3312   -1.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3312   -2.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    4.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.4030    6.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.0757   -0.5127    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    7.5210   -5.8224    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1225   -6.5127    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6772   -4.9876    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0757   -4.2973    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3437    2.4873    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9451    3.1776    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9451   -7.9876    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    9.2531   -1.9876    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    6.2565    3.2027    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1 21  2  0  0  0  0
  2 27  1  0  0  0  0
  2 69  1  0  0  0  0
  3 29  1  0  0  0  0
  3 70  1  0  0  0  0
  4 21  1  0  0  0  0
  4 23  1  0  0  0  0
  4 63  1  0  0  0  0
  5  6  1  0  0  0  0
  5  9  1  0  0  0  0
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  7  8  1  0  0  0  0
  7 11  1  0  0  0  0
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  8 12  1  0  0  0  0
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 10 15  1  0  0  0  0
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 13 17  1  0  0  0  0
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 14 18  1  0  0  0  0
 14 48  1  0  0  0  0
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 15 50  1  0  0  0  0
 15 51  1  0  0  0  0
 16 20  1  0  0  0  0
 16 52  1  0  0  0  0
 16 53  1  0  0  0  0
 17 21  1  0  0  0  0
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 17 55  1  0  0  0  0
 18 22  1  0  0  0  0
 18 56  1  0  0  0  0
 18 57  1  0  0  0  0
 19 20  2  0  0  0  0
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 22 60  1  0  0  0  0
 22 61  1  0  0  0  0
 22 62  1  0  0  0  0
 23 24  1  0  0  0  0
 23 64  1  0  0  0  0
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 24 25  2  0  0  0  0
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 25 27  1  0  0  0  0
 25 66  1  0  0  0  0
 26 28  2  0  0  0  0
 26 67  1  0  0  0  0
 27 29  2  0  0  0  0
 28 29  1  0  0  0  0
 28 68  1  0  0  0  0
M  END

$$$$
D01QWO
  -OEChem-10101305022D

 37 38  0     0  0  0  0  0  0999 V2000
    3.7320   -1.8100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.1900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    4.1900    0.0000 O   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
    2.0000   -3.8100    0.0000 C   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
    2.0000   -4.8100    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
    3.7320    1.1900    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   -0.3100    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
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    5.4641    4.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.4641    4.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1  6  1  0  0  0  0
  1  8  1  0  0  0  0
  2  9  1  0  0  0  0
  2 14  1  0  0  0  0
  3 19  1  0  0  0  0
  3 37  1  0  0  0  0
  4  5  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  7  1  0  0  0  0
  5 22  1  0  0  0  0
  5 23  1  0  0  0  0
  6 24  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
  7 28  1  0  0  0  0
  8 10  2  0  0  0  0
  8 11  1  0  0  0  0
  9 12  2  0  0  0  0
  9 13  1  0  0  0  0
 10 12  1  0  0  0  0
 10 29  1  0  0  0  0
 11 13  2  0  0  0  0
 11 30  1  0  0  0  0
 12 31  1  0  0  0  0
 13 32  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 33  1  0  0  0  0
 16 18  2  0  0  0  0
 16 34  1  0  0  0  0
 17 19  2  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
M  END

$$$$
D01QXL
  -OEChem-10101305032D

 32 35  0     0  0  0  0  0  0999 V2000
    3.8047   -0.0733    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5301    3.5345    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.6176    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1953   -0.0733    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8660    2.0104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    1.5104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8660    3.0104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    0.5103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1340    2.0104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5000   -1.0195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000   -1.0195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7600    1.4757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    3.5104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 20 21  1  0  0  0  0
 21 30  1  0  0  0  0
M  END

$$$$
D01QYQ
  -OEChem-10191523012D

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 30 31  2  0  0  0  0
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 31 33  1  0  0  0  0
 31 59  1  0  0  0  0
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 33 35  2  0  0  0  0
 33 61  1  0  0  0  0
 34 35  1  0  0  0  0
 34 62  1  0  0  0  0
 35 36  1  0  0  0  0
M  END

$$$$
D01RAD
  -OEChem-10111523492D

 40 41  0     1  0  0  0  0  0999 V2000
    7.3301    2.3100    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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 24 37  1  0  0  0  0
 25 38  1  0  0  0  0
 25 39  1  0  0  0  0
 25 40  1  0  0  0  0
M  CHG  2   6  -1   9   1
M  END

$$$$
D01RDB
  -OEChem-10101305022D

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  1 20  2  0  0  0  0
  2  7  1  0  0  0  0
  2  9  1  0  0  0  0
  2 22  1  0  0  0  0
  3  7  2  0  0  0  0
  3 10  1  0  0  0  0
  4 20  1  0  0  0  0
  4 21  2  0  0  0  0
  5 21  1  0  0  0  0
  5 33  1  0  0  0  0
  5 34  1  0  0  0  0
  6 21  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
  8 11  1  0  0  0  0
  8 12  2  0  0  0  0
  9 10  1  0  0  0  0
  9 13  2  0  0  0  0
 10 14  2  0  0  0  0
 11 15  2  0  0  0  0
 11 20  1  0  0  0  0
 12 17  1  0  0  0  0
 12 23  1  0  0  0  0
 13 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  1  0  0  0  0
 15 26  1  0  0  0  0
 16 18  2  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 29  1  0  0  0  0
 19 30  1  0  0  0  0
M  END

$$$$
D01REI
  -OEChem-10101305032D

 36 38  0     0  0  0  0  0  0999 V2000
    2.5369   -3.3450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -4.3450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    4.1550    0.0000 N   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
    4.2690    2.6550    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
    4.2690   -1.3450    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    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
    3.4030    0.1550    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   -1.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -1.8450    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    2.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -2.8450    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
    4.2690   -3.3450    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    3.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0569    3.2376    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8660    1.4650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8660   -0.1550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6720   -0.1550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.5350    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
    6.0010    2.0350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6720   -3.1550    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    2.8450    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.0350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8059   -4.6550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 17  1  0  0  0  0
  1 35  1  0  0  0  0
  2 19  1  0  0  0  0
  2 36  1  0  0  0  0
  3 20  2  0  0  0  0
  3 21  1  0  0  0  0
  4  5  1  0  0  0  0
  4  8  2  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 22  1  0  0  0  0
  5 23  1  0  0  0  0
  6  7  1  0  0  0  0
  6 11  2  0  0  0  0
  6 12  1  0  0  0  0
  7 13  2  0  0  0  0
  7 14  1  0  0  0  0
  8 11  1  0  0  0  0
  8 24  1  0  0  0  0
  9 12  2  0  0  0  0
  9 25  1  0  0  0  0
 10 15  2  0  0  0  0
 10 16  1  0  0  0  0
 11 26  1  0  0  0  0
 12 27  1  0  0  0  0
 13 17  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 20  1  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 19  2  0  0  0  0
 18 19  1  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
M  END

$$$$
D01RFF
  -OEChem-04152122262D

 49 51  0     1  0  0  0  0  0999 V2000
    7.9532    1.7946    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.1506    3.8307    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.9641    2.0036    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.5352    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2731    1.0526    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -3.5352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -2.5352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.4648    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.4641   -0.5352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -4.5352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4641   -3.5352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4641   -3.5352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.0352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.0352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -2.0352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6551    1.0526    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -1.0352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9641    2.0036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5519    2.8126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.0352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5464    2.7081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1452    3.7262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.5352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1342    3.5171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.7275    4.4307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0165    0.1833    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  2 22  1  0  0  0  0
  3 16  1  0  0  0  0
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 10 28  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
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 13 14  1  0  0  0  0
 13 37  1  0  0  0  0
 15 17  2  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
 18 19  1  0  0  0  0
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 20 23  1  0  0  0  0
 20 42  1  0  0  0  0
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 21 24  1  0  0  0  0
 22 25  2  0  0  0  0
 23 44  1  0  0  0  0
 23 45  1  0  0  0  0
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 24 26  2  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
 26 49  1  0  0  0  0
M  END

$$$$
D01RFG
  -OEChem-10101305022D

 48 51  0     1  0  0  0  0  0999 V2000
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    9.1808    2.4460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.1698    1.2995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9789   -0.1017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0194    1.9014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0718    2.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.6871    2.9755    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   10.6235    1.7619    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1 22  2  0  0  0  0
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  5 17  1  1  0  0  0
  5 23  1  0  0  0  0
  6 11  1  0  0  0  0
  6 24  1  0  0  0  0
  7  9  1  0  0  0  0
  7 25  1  0  0  0  0
  7 26  1  0  0  0  0
  8 10  1  0  0  0  0
  8 13  1  0  0  0  0
  8 14  1  0  0  0  0
  8 27  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 15  1  0  0  0  0
 11 32  1  0  0  0  0
 11 33  1  0  0  0  0
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 12 18  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 34  1  0  0  0  0
 14 35  1  0  0  0  0
 15 19  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 41  1  0  0  0  0
 17 42  1  0  0  0  0
 17 43  1  0  0  0  0
 18 20  2  0  0  0  0
 18 44  1  0  0  0  0
 19 21  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 46  1  0  0  0  0
M  END

$$$$
D01RGG
  -OEChem-10101305022D

 36 38  0     0  0  0  0  0  0999 V2000
    5.4672    2.3284    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.6582    0.9271    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4378    0.8338    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.2500   -1.9709    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9945    1.5657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0000    1.4612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8900    2.5602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0990    0.5712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4890    2.5363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1 10  1  0  0  0  0
  1 11  1  0  0  0  0
  2  6  1  0  0  0  0
  2 11  2  0  0  0  0
  3 11  1  0  0  0  0
  3 13  1  0  0  0  0
  3 30  1  0  0  0  0
  4 14  1  0  0  0  0
  4 18  1  0  0  0  0
  4 33  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  9  1  0  0  0  0
  6 10  2  0  0  0  0
  7 25  1  0  0  0  0
  7 26  1  0  0  0  0
  7 27  1  0  0  0  0
  8 22  1  0  0  0  0
  8 23  1  0  0  0  0
  8 24  1  0  0  0  0
  9 20  1  0  0  0  0
  9 21  1  0  0  0  0
  9 28  1  0  0  0  0
 10 29  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  2  0  0  0  0
 12 15  1  0  0  0  0
 13 16  2  0  0  0  0
 14 17  1  0  0  0  0
 15 18  2  0  0  0  0
 15 31  1  0  0  0  0
 16 19  1  0  0  0  0
 16 32  1  0  0  0  0
 17 19  2  0  0  0  0
 17 34  1  0  0  0  0
 18 35  1  0  0  0  0
 19 36  1  0  0  0  0
M  END

$$$$
D01RGM
  -OEChem-04152109102D

 27 27  0     0  0  0  0  0  0999 V2000
    3.7320   -1.5950    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    3.4050    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.4641    2.4050    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.4641    2.4050    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.5950    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -3.0950    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    5.4641   -0.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0000   -1.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    1.2150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0611    1.2150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1 14  1  0  0  0  0
  1 15  1  0  0  0  0
  2 13  1  0  0  0  0
  3 13  1  0  0  0  0
  4 13  1  0  0  0  0
  5  8  1  0  0  0  0
  5 15  2  0  0  0  0
  6 15  1  0  0  0  0
  6 26  1  0  0  0  0
  6 27  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 11  2  0  0  0  0
  8 12  1  0  0  0  0
  9 11  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
 12 20  1  0  0  0  0
 14 16  1  0  0  0  0
 14 21  1  0  0  0  0
 14 22  1  0  0  0  0
 16 23  1  0  0  0  0
 16 24  1  0  0  0  0
 16 25  1  0  0  0  0
M  END

$$$$
D01RHR
  -OEChem-10191521562D

 64 67  0     0  0  0  0  0  0999 V2000
    3.0000   -8.7500    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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    4.0000   -7.7500    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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    2.1340    8.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.4641   -4.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1951   -3.4400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    8.7331   -1.4400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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 10 33  2  0  0  0  0
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 29 53  1  0  0  0  0
 31 32  1  0  0  0  0
 31 54  1  0  0  0  0
 32 37  2  0  0  0  0
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 35 57  1  0  0  0  0
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 40 41  2  0  0  0  0
 40 62  1  0  0  0  0
 41 63  1  0  0  0  0
 41 64  1  0  0  0  0
M  END

$$$$
D01RIP
  -OEChem-10101305022D

 80 84  0     1  0  0  0  0  0999 V2000
    9.5397   -0.6092    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.5105    4.9582    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.5075    3.2314    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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M  END

$$$$
D01RJV
  -OEChem-10101305022D

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M  END

$$$$
D01RJY
  -OEChem-10101305022D

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M  END

$$$$
D01RKI
  -OEChem-10101305022D

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M  END

$$$$
D01RLA
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M  END

$$$$
D01RLF
  -OEChem-10101305022D

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 18 28  1  0  0  0  0
 18 29  1  0  0  0  0
 18 30  1  0  0  0  0
M  END

$$$$
D01RNA
  -OEChem-10191522042D

 72 75  0     1  0  0  0  0  0999 V2000
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M  END

$$$$
D01RPD
  -OEChem-10101305022D

 42 44  0     0  0  0  0  0  0999 V2000
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M  END

$$$$
D01RPM
  -OEChem-10101305022D

 56 55  0     0  0  0  0  0  0999 V2000
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   13.2583    2.9050    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
   14.1244    3.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3957    2.4300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1928    2.4300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0588    3.8800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2617    3.8800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6762   -0.1776    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0747    0.5127    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3860    0.4876    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9875   -0.2027    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2520    1.9876    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8535    1.2973    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3267    3.8800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5297    3.8800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1278    2.4300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9248    2.4300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8101   -1.6776    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2087   -0.9873    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5422    1.3224    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9407    2.0127    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6636    2.4300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4607    2.4300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.7908    3.8800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9938    3.8800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5200   -1.0124    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1215   -1.7027    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    4.0250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.8598    2.4300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.6569    2.4300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9441   -3.1776    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3426   -2.4873    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.4344    2.8681    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.6613    3.7150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.8144    3.9419    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -4.4050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  2  5  2  0  0  0  0
  3 23  1  0  0  0  0
  3 56  1  0  0  0  0
  4 23  2  0  0  0  0
  5 18  1  0  0  0  0
  6  7  1  0  0  0  0
  6 11  1  0  0  0  0
  6 24  1  0  0  0  0
  6 25  1  0  0  0  0
  7 12  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 28  1  0  0  0  0
  8 29  1  0  0  0  0
  9 13  1  0  0  0  0
  9 30  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 16  1  0  0  0  0
 12 36  1  0  0  0  0
 12 37  1  0  0  0  0
 13 17  1  0  0  0  0
 13 38  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 19  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 44  1  0  0  0  0
 16 45  1  0  0  0  0
 17 21  1  0  0  0  0
 17 46  1  0  0  0  0
 17 47  1  0  0  0  0
 18 19  2  0  0  0  0
 19 48  1  0  0  0  0
 20 22  1  0  0  0  0
 20 49  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
 21 52  1  0  0  0  0
 22 53  1  0  0  0  0
 22 54  1  0  0  0  0
 22 55  1  0  0  0  0
M  CHG  2   1  -1   5   1
M  END

$$$$
D01RQK
  -OEChem-10191521292D

 51 51  0     1  0  0  0  0  0999 V2000
   10.3299   -2.5016    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5896    0.6908    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0544   -0.9565    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7608   -2.8106    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.8097   -2.5016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5698   -2.2228    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0698   -3.7617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3788   -2.8106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5698    1.7772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0698   -3.7617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0666   -3.1707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4358    2.2772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5698   -1.2228    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5698    0.7772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4358    3.2772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9076   -1.8836    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1155   -2.8617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7038   -0.7228    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7038    0.2772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9565   -1.5745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7486   -0.5964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3018    3.7772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7976   -0.2874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3224   -3.2490    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1008   -1.9542    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3211   -2.1199    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7054   -4.2633    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3577    2.3598    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9592    1.6695    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4342   -4.2633    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6479    1.6946    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0464    2.3848    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1955   -3.7772    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1067   -0.9128    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7818    0.1946    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1804    0.8848    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2238    3.8598    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8252    3.1695    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5272   -1.8619    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9939   -1.2696    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6548   -3.2766    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1668   -1.0328    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1668    0.5872    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3369   -1.5962    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8702   -2.1885    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3682   -0.5748    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8349    0.0176    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6118    3.2402    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8388    4.0872    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9918    4.3141    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.8824    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  2  0  0  0  0
  2 23  1  0  0  0  0
  2 51  1  0  0  0  0
  3 23  2  0  0  0  0
  4  5  1  6  0  0  0
  4  6  1  0  0  0  0
  4  7  1  0  0  0  0
  4 24  1  0  0  0  0
  5 11  1  0  0  0  0
  5 25  1  0  0  0  0
  5 26  1  0  0  0  0
  6  8  1  0  0  0  0
  6 13  2  0  0  0  0
  7 10  2  0  0  0  0
  7 27  1  0  0  0  0
  8 10  1  0  0  0  0
  9 12  1  0  0  0  0
  9 14  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
 11 17  2  0  0  0  0
 11 33  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 18  1  0  0  0  0
 13 34  1  0  0  0  0
 14 19  1  0  0  0  0
 14 35  1  0  0  0  0
 14 36  1  0  0  0  0
 15 22  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 20  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
 18 19  2  0  0  0  0
 18 42  1  0  0  0  0
 19 43  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 23  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
M  END

$$$$
D01RSH
  -OEChem-10101305022D

 29 30  0     0  0  0  0  0  0999 V2000
    7.7331    3.2500    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -3.2500    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -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
    3.4030   -0.2500    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   -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
    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
    6.0010    0.2500    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
    6.0010   -2.7500    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
    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
    6.8671    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
    3.4030   -1.2500    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
    4.5981    0.0600    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
    3.7320   -3.0600    0.0000 H   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
    7.4040    1.4400    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
    4.5981    3.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    3.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.4400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 17  1  0  0  0  0
  2 13  1  0  0  0  0
  3 11  2  0  0  0  0
  4 19  1  0  0  0  0
  4 29  1  0  0  0  0
  5 19  2  0  0  0  0
  6  7  1  0  0  0  0
  6 11  1  0  0  0  0
  6 21  1  0  0  0  0
  7  8  2  0  0  0  0
  7 10  1  0  0  0  0
  8 12  1  0  0  0  0
  8 19  1  0  0  0  0
  9 11  1  0  0  0  0
  9 15  2  0  0  0  0
  9 16  1  0  0  0  0
 10 13  2  0  0  0  0
 10 22  1  0  0  0  0
 12 14  2  0  0  0  0
 12 23  1  0  0  0  0
 13 14  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  2  0  0  0  0
 16 26  1  0  0  0  0
 17 20  2  0  0  0  0
 18 20  1  0  0  0  0
 18 27  1  0  0  0  0
 20 28  1  0  0  0  0
M  END

$$$$
D01RSW
          01191100062D 1   1.00000     0.00000     0

 20 20  0     0  0            999 V2000
    1.8125    1.1583    0.0000 C   0  0  0  0  0  0           0  0  0
    5.5708    1.0000    0.0000 C   0  0  0  0  0  0           0  0  0
    5.5708    2.4208    0.0000 N   0  0  0  0  0  0           0  0  0
    6.1833    2.0625    0.0000 C   0  0  0  0  0  0           0  0  0
    4.9625    1.3583    0.0000 C   0  0  0  0  0  0           0  0  0
    6.1833    1.3583    0.0000 N   0  0  0  0  0  0           0  0  0
    1.5917    1.8333    0.0000 C   0  0  0  0  0  0           0  0  0
    4.9625    2.0625    0.0000 C   0  0  0  0  0  0           0  0  0
    2.5167    1.1583    0.0000 N   0  0  0  0  0  0           0  0  0
    2.1625    2.2500    0.0000 N   0  0  0  0  0  0           0  0  0
    1.1917    0.8083    0.0000 C   0  0  0  0  0  0           0  0  0
    5.5708    0.2958    0.0000 C   0  0  0  0  0  0           0  0  0
    2.7375    1.8333    0.0000 C   0  0  0  0  0  0           0  0  0
    6.8000    2.4167    0.0000 O   0  0  0  0  0  0           0  0  0
    4.3458    2.4167    0.0000 O   0  0  0  0  0  0           0  0  0
    1.1833    0.1000    0.0000 O   0  0  0  0  0  0           0  0  0
    4.9583   -0.0625    0.0000 O   0  0  0  0  0  0           0  0  0
    0.9750    2.1875    0.0000 N   0  0  0  0  0  0           0  0  0
    0.5792    1.1708    0.0000 N   0  0  0  0  0  0           0  0  0
    6.1875   -0.0625    0.0000 O   0  0  0  0  0  0           0  0  0
  3  4  1  0     0  0
  4  6  1  0     0  0
  5  2  2  0     0  0
  6  2  1  0     0  0
  7  1  2  0     0  0
  8  5  1  0     0  0
  9  1  1  0     0  0
 10  7  1  0     0  0
 11  1  1  0     0  0
 12  2  1  0     0  0
 13  9  2  0     0  0
 14  4  2  0     0  0
 15  8  2  0     0  0
 16 11  2  0     0  0
 17 12  2  0     0  0
 18  7  1  0     0  0
 19 11  1  0     0  0
 20 12  1  0     0  0
 10 13  1  0     0  0
  3  8  1  0     0  0
M  END

$$$$
D01RTR
  -OEChem-10101305022D

 32 33  0     1  0  0  0  0  0999 V2000
    3.5827    0.9182    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    6.1808   -2.5818    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4782    1.9127    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.5000    2.1206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  3  1  0  0  0  0
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  1  7  1  0  0  0  0
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  2 14  2  0  0  0  0
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  3 15  1  0  0  0  0
  4  6  1  0  0  0  0
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  7  9  1  0  0  0  0
  7 22  1  0  0  0  0
  7 23  1  0  0  0  0
  8 24  1  0  0  0  0
  8 25  1  0  0  0  0
  8 26  1  0  0  0  0
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 10 11  1  0  0  0  0
 10 12  2  0  0  0  0
 11 13  2  0  0  0  0
 11 29  1  0  0  0  0
 12 30  1  0  0  0  0
 13 14  1  0  0  0  0
 13 31  1  0  0  0  0
 14 32  1  0  0  0  0
M  END

$$$$
D01RTU
  -OEChem-10101305032D

 62 64  0     1  0  0  0  0  0999 V2000
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  1 18  2  0  0  0  0
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  3 13  1  0  0  0  0
  3 17  1  0  0  0  0
  3 19  1  0  0  0  0
  4 14  1  0  0  0  0
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  4 48  1  0  0  0  0
  5 10  1  0  0  0  0
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 20  6  1  1  0  0  0
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  6 54  1  0  0  0  0
  7  8  1  0  0  0  0
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  8 12  1  0  0  0  0
  8 30  1  0  0  0  0
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  9 11  1  0  0  0  0
  9 32  1  0  0  0  0
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 10 11  1  0  0  0  0
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 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 15  1  0  0  0  0
 13 18  1  1  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
 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
 19 20  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 52  1  0  0  0  0
 21 53  1  0  0  0  0
 22 24  2  0  0  0  0
 22 25  1  0  0  0  0
 23 55  1  0  0  0  0
 23 56  1  0  0  0  0
 23 57  1  0  0  0  0
 24 26  1  0  0  0  0
 24 58  1  0  0  0  0
 25 27  2  0  0  0  0
 25 59  1  0  0  0  0
 26 28  2  0  0  0  0
 26 60  1  0  0  0  0
 27 28  1  0  0  0  0
 27 61  1  0  0  0  0
 28 62  1  0  0  0  0
M  END

$$$$
D01RUH
  -OEChem-10101305022D

 35 38  0     0  0  0  0  0  0999 V2000
    3.7782    1.4952    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5442    2.5330    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660   -3.0363    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3903   -2.0332    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660   -0.0363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321   -0.5363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000   -0.5363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4421   -0.0294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321   -1.5363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000   -1.5363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6500    1.0052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660   -2.0363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5480    1.5330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4501    1.0122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9061   -0.0016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2814   -0.5577    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9061   -2.0710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2558   -1.5490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.5155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.5571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7667    2.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4082    3.0363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9882    1.3201    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9132    0.6183    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 21  1  0  0  0  0
  2 13  1  0  0  0  0
  2 22  1  0  0  0  0
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  4  9  2  0  0  0  0
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  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  5 11  1  0  0  0  0
  6  8  1  0  0  0  0
  6  9  1  0  0  0  0
  7 10  1  0  0  0  0
  7 15  2  0  0  0  0
  8 14  2  0  0  0  0
  8 16  1  0  0  0  0
  9 12  1  0  0  0  0
 10 12  1  0  0  0  0
 10 17  2  0  0  0  0
 11 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 23  1  0  0  0  0
 15 19  1  0  0  0  0
 15 24  1  0  0  0  0
 16 18  2  0  0  0  0
 16 25  1  0  0  0  0
 17 20  1  0  0  0  0
 17 26  1  0  0  0  0
 18 27  1  0  0  0  0
 19 20  2  0  0  0  0
 19 28  1  0  0  0  0
 20 29  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

$$$$
D01RUN
  -OEChem-10101305032D

 41 43  0     1  0  0  0  0  0999 V2000
    4.4487   -1.9239    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1808   -2.9239    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0930    3.4239    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0000   -1.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1808    1.0761    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.9898    1.6639    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3717    1.6639    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1808    0.0761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3147   -1.4239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.0468   -1.4239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  5  1  0  0  0  0
  1 14  1  0  0  0  0
  2 18  1  0  0  0  0
  2 20  1  0  0  0  0
  3 16  2  0  0  0  0
  4 11  1  0  0  0  0
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  4 36  1  0  0  0  0
  5  6  1  0  0  0  0
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  5 21  1  0  0  0  0
  6  8  1  0  0  0  0
  6 24  1  0  0  0  0
  6 25  1  0  0  0  0
  7  9  1  0  0  0  0
  7 22  1  0  0  0  0
  7 23  1  0  0  0  0
  8  9  1  0  0  0  0
  8 28  1  0  0  0  0
  8 29  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 12  1  0  0  0  0
 10 13  1  1  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 16  1  0  0  0  0
 12 33  1  0  0  0  0
 12 34  1  0  0  0  0
 13 15  2  0  0  0  0
 13 17  1  0  0  0  0
 14 15  1  0  0  0  0
 14 18  2  0  0  0  0
 15 35  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
 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
M  END

$$$$
D01RUO
  -OEChem-10191522252D

 26 28  0     0  0  0  0  0  0999 V2000
    4.3830    1.2385    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8830   -0.9522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7840   -0.5183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9820   -0.5183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0065    0.4566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7595    0.4566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5365   -1.2385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2295   -1.2384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3830    1.2385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9970    0.7790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7690    0.7790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5342   -0.9391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.7660    0.0764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.4964   -1.4369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    7.9871   -1.3626    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1  6  1  0  0  0  0
  1  9  2  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2 16  1  0  0  0  0
  2 17  1  0  0  0  0
  3  5  1  0  0  0  0
  3  7  2  0  0  0  0
  4  6  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  1  0  0  0  0
  5 10  2  0  0  0  0
  6 11  2  0  0  0  0
  7 12  1  0  0  0  0
  7 18  1  0  0  0  0
  8 13  1  0  0  0  0
  8 19  1  0  0  0  0
  9 20  1  0  0  0  0
 10 14  1  0  0  0  0
 10 21  1  0  0  0  0
 11 15  1  0  0  0  0
 11 22  1  0  0  0  0
 12 14  2  0  0  0  0
 12 23  1  0  0  0  0
 13 15  2  0  0  0  0
 13 24  1  0  0  0  0
 14 25  1  0  0  0  0
 15 26  1  0  0  0  0
M  END

$$$$
D01RVF
  -OEChem-10101305022D

 43 45  0     1  0  0  0  0  0999 V2000
    4.2647   -2.2306    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5896   -4.3184    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2647    1.7694    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3987   -3.7306    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.2077   -4.3184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8987   -5.2694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8987   -5.2694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3987   -2.7306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2647   -1.2306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1307   -0.7306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3987   -0.7306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2647    0.7694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1307    0.2694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3987    0.2694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1307    2.2694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1307    3.2694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9967    3.7694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2647    3.7694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9967    4.7694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2647    4.7694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1307    5.2694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8462   -3.4491    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.5177   -3.7814    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.5051   -5.3983    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.9635   -5.8860    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -4.1268    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8617   -1.0406    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7278    5.0794    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1307    5.8894    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  4  1  0  0  0  0
  2  7  1  0  0  0  0
  2 29  1  0  0  0  0
  3 12  1  0  0  0  0
  3 15  1  0  0  0  0
  3 38  1  0  0  0  0
  4  5  1  0  0  0  0
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  4 22  1  0  0  0  0
  5  6  1  0  0  0  0
  5 23  1  0  0  0  0
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  7 28  1  0  0  0  0
  8 30  1  0  0  0  0
  8 31  1  0  0  0  0
  9 10  2  0  0  0  0
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 10 13  1  0  0  0  0
 10 32  1  0  0  0  0
 11 14  2  0  0  0  0
 11 33  1  0  0  0  0
 12 13  2  0  0  0  0
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 13 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
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 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
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 18 20  2  0  0  0  0
 18 40  1  0  0  0  0
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 19 41  1  0  0  0  0
 20 21  1  0  0  0  0
 20 42  1  0  0  0  0
 21 43  1  0  0  0  0
M  END

$$$$
D01RWS
  -OEChem-10101305022D

 42 44  0     0  0  0  0  0  0999 V2000
    4.5981    1.9827    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.9827    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    5.4641    1.4827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.3580    2.0174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641    0.4619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.4827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  6  1  0  0  0  0
  1 15  1  0  0  0  0
  2 15  2  0  0  0  0
  3  4  1  0  0  0  0
  3 11  1  0  0  0  0
  3 12  1  0  0  0  0
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  7 10  2  0  0  0  0
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 10 14  1  0  0  0  0
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 11 26  1  0  0  0  0
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 13 32  1  0  0  0  0
 14 17  1  0  0  0  0
 14 33  1  0  0  0  0
 14 34  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 18  2  0  0  0  0
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 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
 22 42  1  0  0  0  0
M  END

$$$$
D01RWY
  -OEChem-10101305022D

 46 46  0     1  0  0  0  0  0999 V2000
    2.0000   -2.9330    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.5670    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.5670    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.5670    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.4641    2.0670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.0670    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
    7.1962    0.0670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    2.5670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9641    2.9330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7320    0.0670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7320   -0.9330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8660   -1.4330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8660   -2.4330    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
    3.7320   -2.9330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    0.8770    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0656   -0.4080    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.0611    1.8770    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7287    1.0419    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.3291   -1.1230    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7320   -3.5530    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 18  1  0  0  0  0
  2 12  2  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
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  4  6  1  0  0  0  0
  4 12  1  0  0  0  0
  4 21  1  0  0  0  0
  5  9  1  0  0  0  0
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  6  7  1  0  0  0  0
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  6 23  1  0  0  0  0
  7  8  1  0  0  0  0
  7 25  1  0  0  0  0
  7 26  1  0  0  0  0
  8 13  1  0  0  0  0
  8 27  1  0  0  0  0
  8 28  1  0  0  0  0
  9 35  1  0  0  0  0
  9 36  1  0  0  0  0
  9 37  1  0  0  0  0
 10 32  1  0  0  0  0
 10 33  1  0  0  0  0
 10 34  1  0  0  0  0
 11 29  1  0  0  0  0
 11 30  1  0  0  0  0
 11 31  1  0  0  0  0
 12 14  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  2  0  0  0  0
 14 17  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 18  1  0  0  0  0
 16 43  1  0  0  0  0
 17 19  2  0  0  0  0
 17 44  1  0  0  0  0
 18 20  2  0  0  0  0
 19 20  1  0  0  0  0
 19 45  1  0  0  0  0
 20 46  1  0  0  0  0
M  END

$$$$
D01RXM
  -OEChem-10101305022D

 20 21  0     0  0  0  0  0  0999 V2000
    2.8660   -1.1970    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4103    0.6077    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.6970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.3030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.1970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4103   -1.0018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.8030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.6970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9939   -0.1970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.3030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.6970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.8170    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.5981    1.4230    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6029    1.1970    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951    0.6130    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6139   -0.1970    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   -0.1601    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -0.3870    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -1.2340    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
  1 11  1  0  0  0  0
  2  4  1  0  0  0  0
  2  9  1  0  0  0  0
  2 15  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  3  6  1  0  0  0  0
  4  7  1  0  0  0  0
  5  8  2  0  0  0  0
  5 12  1  0  0  0  0
  6  9  2  0  0  0  0
  6 13  1  0  0  0  0
  7 10  2  0  0  0  0
  7 14  1  0  0  0  0
  8 10  1  0  0  0  0
  9 17  1  0  0  0  0
 10 16  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
M  END

$$$$
D01RZP
  -OEChem-10101305022D

 34 36  0     0  0  0  0  0  0999 V2000
    3.2320    1.6586    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.8802    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3967    3.0676    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.1198    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.8802    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2320    1.6586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5411    0.7076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.3802    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8198    2.4676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.3802    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9230    0.7076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.3802    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.8802    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.3802    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8144    2.3631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4131    3.3812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.8802    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4021    3.1721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  6  1  0  0  0  0
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  2 13  1  0  0  0  0
  2 33  1  0  0  0  0
  3 18  1  0  0  0  0
  3 34  1  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  4 11  2  0  0  0  0
  5  8  2  0  0  0  0
  5 12  1  0  0  0  0
  6  7  2  0  0  0  0
  6  9  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
  9 15  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 23  1  0  0  0  0
 12 14  2  0  0  0  0
 12 24  1  0  0  0  0
 13 14  1  0  0  0  0
 14 25  1  0  0  0  0
 15 18  1  0  0  0  0
 15 26  1  0  0  0  0
 16 19  2  0  0  0  0
 16 27  1  0  0  0  0
 17 28  1  0  0  0  0
 17 29  1  0  0  0  0
 17 30  1  0  0  0  0
 18 20  2  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
M  END

$$$$
D01SAX
  -OEChem-10101305022D

 56 58  0     1  0  0  0  0  0999 V2000
    8.4282   -4.0036    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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    4.5981    6.0352    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    5.0352    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    5.4641    3.5352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.0160   -4.8126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.0105   -4.7081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 29 56  1  0  0  0  0
M  END

$$$$
D01SBC
          05150902112D 1   1.00000     0.00000     0

 66 68  0     0  0            999 V2000
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 35  2  1  0     0  0
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 65 62  1  0     0  0
 66 63  1  0     0  0
 52 49  2  0     0  0
 58 57  1  0     0  0
 16 41  2  0     0  0
M  END

$$$$
D01SBZ
  -OEChem-10101305022D

 37 38  0     1  0  0  0  0  0999 V2000
    3.7320   -1.1550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    4.3450    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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M  END

$$$$
D01SDX
  -OEChem-10101305022D

 81 83  0     1  0  0  0  0  0999 V2000
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M  END

$$$$
D01SGC
  -OEChem-10191522352D

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M  END

$$$$
D01SGP
  -OEChem-10101305022D

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  1 13  2  0  0  0  0
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  7 27  1  0  0  0  0
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 12 35  1  0  0  0  0
 14 17  1  0  0  0  0
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 14 37  1  0  0  0  0
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 15 40  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 41  1  0  0  0  0
 17 42  1  0  0  0  0
 18 22  1  0  0  0  0
 18 43  1  0  0  0  0
 18 44  1  0  0  0  0
 19 21  1  0  0  0  0
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 20 45  1  0  0  0  0
 21 24  2  0  0  0  0
 21 46  1  0  0  0  0
 23 24  1  0  0  0  0
 23 47  1  0  0  0  0
 25 50  1  0  0  0  0
 25 51  1  0  0  0  0
 25 52  1  0  0  0  0
M  END

$$$$
D01SHB
  -OEChem-10191523062D

 21 22  0     0  0  0  0  0  0999 V2000
    5.1350    2.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -0.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -2.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    5.1350    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.2690    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0000   -0.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  2  0  0  0  0
  2 14  1  0  0  0  0
  2 21  1  0  0  0  0
  3 14  2  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  4 15  1  0  0  0  0
  5  6  1  0  0  0  0
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  7 10  2  0  0  0  0
  7 14  1  0  0  0  0
  8 10  1  0  0  0  0
  9 12  1  0  0  0  0
  9 17  1  0  0  0  0
 10 16  1  0  0  0  0
 11 13  1  0  0  0  0
 11 18  1  0  0  0  0
 12 13  2  0  0  0  0
 12 19  1  0  0  0  0
 13 20  1  0  0  0  0
M  END

$$$$
D01SHR
  -OEChem-10101305022D

 39 41  0     1  0  0  0  0  0999 V2000
    5.1350    2.4827    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -0.5173    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    0.9827    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.9827    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.1350    0.4827    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.2690    1.9827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    0.9827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    0.4827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    1.9827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8950    0.4480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  6  1  0  0  0  0
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  5  2  1  6  0  0  0
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  3  8  1  0  0  0  0
  3 29  1  0  0  0  0
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  4 21  1  0  0  0  0
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  5 22  1  0  0  0  0
  6 23  1  0  0  0  0
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  7  9  1  0  0  0  0
  7 10  2  0  0  0  0
  8 25  1  0  0  0  0
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  9 11  2  0  0  0  0
 10 13  1  0  0  0  0
 10 27  1  0  0  0  0
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 11 28  1  0  0  0  0
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 13 31  1  0  0  0  0
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 15 17  2  0  0  0  0
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 18 35  1  0  0  0  0
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 18 37  1  0  0  0  0
 19 20  2  0  0  0  0
 19 38  1  0  0  0  0
 20 39  1  0  0  0  0
M  END

$$$$
D01SJL
  -OEChem-04152109492D

 27 28  0     1  0  0  0  0  0999 V2000
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 10 19  1  0  0  0  0
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 13 15  2  0  0  0  0
 13 23  1  0  0  0  0
 14 15  1  0  0  0  0
 15 26  1  0  0  0  0
M  END

$$$$
D01SLA
  -OEChem-04152108392D

 51 54  0     1  0  0  0  0  0999 V2000
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M  END

$$$$
D01SLG
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M  END

$$$$
D01SLS
  -OEChem-10191522252D

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M  END

$$$$
D01SLZ
  -OEChem-10101305022D

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 31 56  1  0  0  0  0
M  END

$$$$
D01SNR
  -OEChem-10101305032D

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  1 23  1  0  0  0  0
  2 10  1  0  0  0  0
  2 13  1  0  0  0  0
  3 11  1  0  0  0  0
  3 15  1  0  0  0  0
  4 15  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 24  1  0  0  0  0
  8  9  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  1  0  0  0  0
 11 17  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 13 15  1  0  0  0  0
 14 18  2  0  0  0  0
 14 19  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 34  1  0  0  0  0
 17 35  1  0  0  0  0
 17 36  1  0  0  0  0
 18 21  1  0  0  0  0
 18 37  1  0  0  0  0
 19 22  2  0  0  0  0
 19 38  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 21 39  1  0  0  0  0
 22 40  1  0  0  0  0
 23 41  1  0  0  0  0
 23 42  1  0  0  0  0
 23 43  1  0  0  0  0
M  ISO  6  31   2  32   2  33   2  34   2  35   2  36   2
M  END

$$$$
D01SNS
  -OEChem-10191522142D

 50 53  0     0  0  0  0  0  0999 V2000
    8.1912   -0.0350    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4519    2.1929    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.5104   -2.3078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.0098   -3.8402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1284   -2.3078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7077   -2.8942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8194   -1.3567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0157   -3.8393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2316   -0.5477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1439   -2.5400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5044   -0.5720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6981   -2.6642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6384    0.3659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3355   -4.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5249   -0.7807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8468   -1.7713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.4573    2.0884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8696    2.8974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2763    3.8110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1701   -0.2391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6885    4.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9441   -4.4567    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6160   -3.9703    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    5.0691    0.8118    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5128   -2.0725    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5344   -5.2072    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4527   -1.9026    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3939   -3.2982    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9082   -4.8761    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4340    1.1101    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3556    3.2441    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4389    2.4514    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7903    3.4643    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7070    4.2570    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0435   -0.8460    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7771   -0.3657    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2967    0.3678    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1901    4.9844    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3241    5.1216    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1869    4.2556    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 22  2  0  0  0  0
  3  5  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4 16  1  0  0  0  0
  4 22  1  0  0  0  0
  4 40  1  0  0  0  0
  5  6  2  0  0  0  0
  5  9  1  0  0  0  0
  6 10  1  0  0  0  0
  6 12  1  0  0  0  0
  7 11  1  0  0  0  0
  7 27  1  0  0  0  0
  7 28  1  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 17  2  0  0  0  0
 12 16  1  0  0  0  0
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 13 19  2  0  0  0  0
 13 31  1  0  0  0  0
 14 18  2  0  0  0  0
 14 32  1  0  0  0  0
 15 20  1  0  0  0  0
 15 35  1  0  0  0  0
 16 33  1  0  0  0  0
 16 34  1  0  0  0  0
 17 21  1  0  0  0  0
 17 36  1  0  0  0  0
 18 19  1  0  0  0  0
 19 37  1  0  0  0  0
 20 21  2  0  0  0  0
 20 38  1  0  0  0  0
 21 39  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 41  1  0  0  0  0
 23 42  1  0  0  0  0
 24 26  1  0  0  0  0
 24 43  1  0  0  0  0
 24 44  1  0  0  0  0
 25 45  1  0  0  0  0
 25 46  1  0  0  0  0
 25 47  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
M  END

$$$$
D01SPH
  -OEChem-10191522052D

 35 35  0     1  0  0  0  0  0999 V2000
    3.1969   -0.5857    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    4.6817   -1.2781    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    5.9137   -0.4121    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6817    0.4539    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2120   -0.7593    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0232    0.3991    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1817   -2.1441    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0388   -2.0441    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6817   -1.2781    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3706   -1.5706    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5509    2.0358    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0157    0.3885    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0477    1.0879    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    5.8567    1.6757    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.0477    0.0879    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.1817   -0.4121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2387    1.6757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5477    2.6268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0000   -1.3420    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.2509   -2.6268    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1406    1.8442    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1  6  1  0  0  0  0
  1 10  2  0  0  0  0
  1 16  1  0  0  0  0
  2  7  1  0  0  0  0
  2  8  1  0  0  0  0
  2  9  2  0  0  0  0
  2 16  1  0  0  0  0
  3 15  1  0  0  0  0
  3 29  1  0  0  0  0
  4 16  1  0  0  0  0
  4 30  1  0  0  0  0
  5 31  1  0  0  0  0
  6 32  1  0  0  0  0
  7 33  1  0  0  0  0
  8 34  1  0  0  0  0
 11 20  1  0  0  0  0
 11 35  1  0  0  0  0
 12 20  2  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 13 17  1  0  0  0  0
 14 18  1  0  0  0  0
 14 20  1  0  0  0  0
 14 21  1  0  0  0  0
 15 16  1  0  0  0  0
 15 22  1  0  0  0  0
 17 19  1  0  0  0  0
 17 23  1  0  0  0  0
 17 24  1  0  0  0  0
 18 19  1  0  0  0  0
 18 25  1  0  0  0  0
 18 26  1  0  0  0  0
 19 27  1  0  0  0  0
 19 28  1  0  0  0  0
M  END

$$$$
D01SQY
  -OEChem-10101305022D

 40 42  0     0  0  0  0  0  0999 V2000
    2.8660    0.9884    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.5981    0.9884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7320    0.4884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.3039   -2.2806    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5309   -1.4336    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5309    1.4104    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3039    2.2574    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4570    2.0304    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3039   -0.5485    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900    1.0253    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1 17  1  0  0  0  0
  1 21  1  0  0  0  0
  2 16  1  0  0  0  0
  2 37  1  0  0  0  0
  3  4  1  0  0  0  0
  3  7  1  0  0  0  0
  3 22  1  0  0  0  0
  4  5  2  0  0  0  0
  4  8  1  0  0  0  0
  5  6  1  0  0  0  0
  5 12  1  0  0  0  0
  6  7  2  0  0  0  0
  6  9  1  0  0  0  0
  7 13  1  0  0  0  0
  8 10  2  0  0  0  0
  8 11  1  0  0  0  0
  9 17  2  0  0  0  0
  9 23  1  0  0  0  0
 10 14  1  0  0  0  0
 10 24  1  0  0  0  0
 11 15  2  0  0  0  0
 11 25  1  0  0  0  0
 12 26  1  0  0  0  0
 12 27  1  0  0  0  0
 12 28  1  0  0  0  0
 13 18  2  0  0  0  0
 13 29  1  0  0  0  0
 14 16  2  0  0  0  0
 14 19  1  0  0  0  0
 15 16  1  0  0  0  0
 15 20  1  0  0  0  0
 17 18  1  0  0  0  0
 18 30  1  0  0  0  0
 19 31  1  0  0  0  0
 19 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
 21 38  1  0  0  0  0
 21 39  1  0  0  0  0
 21 40  1  0  0  0  0
M  END

$$$$
D01SRL
  -OEChem-10101305032D

 23 24  0     0  0  0  0  0  0999 V2000
    2.0000   -0.0173    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.5173    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641   -0.0381    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.5173    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    6.3580    1.5173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.9827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.0173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641    1.0035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3580   -0.5520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.5173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.4827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.0173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.9827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7517    1.9964    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9534    1.9871    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8750    0.8974    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    6.7517   -1.0310    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7998   -0.3502    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.1373    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.1027    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951    1.2927    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  2  4  2  0  0  0  0
  3  8  1  0  0  0  0
  3  9  1  0  0  0  0
  3 20  1  0  0  0  0
  4 12  1  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  5 14  1  0  0  0  0
  5 15  1  0  0  0  0
  6  7  2  0  0  0  0
  6 11  1  0  0  0  0
  7  9  1  0  0  0  0
  7 10  1  0  0  0  0
  8 16  1  0  0  0  0
  8 17  1  0  0  0  0
  9 18  1  0  0  0  0
  9 19  1  0  0  0  0
 10 12  2  0  0  0  0
 10 21  1  0  0  0  0
 11 13  2  0  0  0  0
 11 22  1  0  0  0  0
 12 13  1  0  0  0  0
 13 23  1  0  0  0  0
M  CHG  2   1  -1   4   1
M  END

$$$$
D01SRS
  -OEChem-10101305022D

 26 27  0     1  0  0  0  0  0999 V2000
    8.1301   -0.0328    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    7.2583   -1.5294    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2622   -0.5294    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    2.8660    0.9947    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.7320    1.4947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.5981   -0.0053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.5053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.4947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4920    1.5294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4920   -0.5399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981   -0.0261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981    1.0156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1299    0.5697    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1306    1.9697    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3335    1.9697    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3335   -0.9802    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1306   -0.9802    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -0.3153    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100    2.0317    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    1.8047    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900    0.9578    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4848    2.1494    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4848   -1.1599    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9338    1.3276    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  2  4  2  0  0  0  0
  3  5  1  0  0  0  0
  3  9  1  0  0  0  0
  3 20  1  0  0  0  0
  4 13  1  0  0  0  0
  5  6  1  0  0  0  0
  5 10  1  0  0  0  0
  5 15  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  8  2  0  0  0  0
  7 11  1  0  0  0  0
  8  9  1  0  0  0  0
  8 12  1  0  0  0  0
  9 18  1  0  0  0  0
  9 19  1  0  0  0  0
 10 21  1  0  0  0  0
 10 22  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 25  1  0  0  0  0
 13 14  1  0  0  0  0
 14 26  1  0  0  0  0
M  CHG  2   1  -1   4   1
M  END

$$$$
D01SSI
  -OEChem-10191522362D

 67 73  0     0  0  0  0  0  0999 V2000
    7.2764    0.7868    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.4821    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    3.9820    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3600   -2.6160    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    5.4641    1.9820    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    4.5981    0.4821    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0752   -3.4898    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.8600   -3.4820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8660   -2.5180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.4691   -2.6850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.0180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.0180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0640   -3.5928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6995   -2.8832    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.3366   -2.8744    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.5139   -2.3994    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.5139   -4.5647    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.3366   -4.0897    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2773   -3.6941    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9676   -4.0926    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3349   -2.1485    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7774   -2.8281    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4676   -3.2266    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3349   -1.3515    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3850   -1.3515    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3850   -2.1485    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9426   -0.6719    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2523   -0.2734    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4426    0.1941    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1 19  1  0  0  0  0
  1 21  1  0  0  0  0
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  3 27  1  0  0  0  0
  4 13  1  0  0  0  0
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  7 22  1  0  0  0  0
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  8 23  2  0  0  0  0
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  9 36  1  0  0  0  0
  9 66  1  0  0  0  0
 10 11  1  0  0  0  0
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 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 47  1  0  0  0  0
 15 17  1  0  0  0  0
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 16 50  1  0  0  0  0
 16 51  1  0  0  0  0
 17 48  1  0  0  0  0
 17 49  1  0  0  0  0
 18 19  1  0  0  0  0
 18 52  1  0  0  0  0
 18 53  1  0  0  0  0
 19 20  2  0  0  0  0
 20 22  1  0  0  0  0
 20 54  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 24 26  1  0  0  0  0
 24 57  1  0  0  0  0
 24 58  1  0  0  0  0
 25 27  1  0  0  0  0
 25 55  1  0  0  0  0
 25 56  1  0  0  0  0
 26 61  1  0  0  0  0
 26 62  1  0  0  0  0
 27 59  1  0  0  0  0
 27 60  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 29 32  2  0  0  0  0
 30 31  2  0  0  0  0
 30 33  1  0  0  0  0
 31 34  1  0  0  0  0
 32 35  1  0  0  0  0
 33 36  2  0  0  0  0
 33 63  1  0  0  0  0
 34 35  2  0  0  0  0
 34 64  1  0  0  0  0
 35 65  1  0  0  0  0
 36 67  1  0  0  0  0
M  END

$$$$
D01STE
  -OEChem-10191521382D

 73 72  0     1  0  0  0  0  0999 V2000
    3.4030   -0.4720    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
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    3.9030   -1.3380    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.5273   -0.4720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6613    0.0280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3933    0.0280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7953   -0.4720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.2594   -0.4720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9292    0.0280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1254    0.0280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0632   -0.4720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.9914   -0.4720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1972    0.0280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   20.7235   -0.4720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.5895    0.0280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   22.4555   -0.4720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   23.3215    0.0280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.2628    0.5030    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.7919    0.5030    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.9948    0.5030    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.3967   -0.9469    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.1938   -0.9469    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.8608   -0.9469    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.6579   -0.9469    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.3278    0.5030    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.5307    0.5030    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.5239    0.5030    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.7269    0.5030    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.6647   -0.9469    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.4617   -0.9469    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.5929   -0.9469    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.3899   -0.9469    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5957    0.5030    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7987    0.5030    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.2560    0.5030    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.4589    0.5030    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9326   -0.9469    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7297   -0.9469    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.3249   -0.9469    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.1220   -0.9469    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.9880    0.5030    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.1910    0.5030    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8637    0.5030    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0666    0.5030    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   22.0570   -0.9469    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   22.8540   -0.9469    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2006   -0.9469    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9976   -0.9469    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   23.6315   -0.5089    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   23.8585    0.3380    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   23.0115    0.5649    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4685   -0.9469    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2656   -0.9469    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1  4  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 24  1  0  0  0  0
  2 26  1  0  0  0  0
 27  3  1  1  0  0  0
  3 71  1  0  0  0  0
  4 28  1  0  0  0  0
  5 72  1  0  0  0  0
  6 73  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 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 14  1  0  0  0  0
 12 37  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 18  1  0  0  0  0
 16 45  1  0  0  0  0
 16 46  1  0  0  0  0
 17 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
 18 50  1  0  0  0  0
 19 22  1  0  0  0  0
 19 51  1  0  0  0  0
 19 52  1  0  0  0  0
 20 21  1  0  0  0  0
 20 53  1  0  0  0  0
 20 54  1  0  0  0  0
 21 23  1  0  0  0  0
 21 55  1  0  0  0  0
 21 56  1  0  0  0  0
 22 24  1  0  0  0  0
 22 57  1  0  0  0  0
 22 58  1  0  0  0  0
 23 25  1  0  0  0  0
 23 59  1  0  0  0  0
 23 60  1  0  0  0  0
 24 61  1  0  0  0  0
 24 62  1  0  0  0  0
 25 63  1  0  0  0  0
 25 64  1  0  0  0  0
 25 65  1  0  0  0  0
 26 27  1  0  0  0  0
 26 66  1  0  0  0  0
 26 67  1  0  0  0  0
 27 28  1  0  0  0  0
 27 68  1  0  0  0  0
 28 69  1  0  0  0  0
 28 70  1  0  0  0  0
M  END

$$$$
D01STY
  -OEChem-10101305032D

 19 19  0     0  0  0  0  0  0999 V2000
    2.0000   -1.5000    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.5000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.7320    1.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7320    1.5000    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
    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  0  0  0  0  0  0  0  0  0  0
    2.8660    0.0000    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
    3.7320   -1.5000    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
    4.5981   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291    0.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    0.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -1.3100    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
    3.1951    2.8100    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
    3.1951   -2.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  7  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 18  1  0  0  0  0
  6 19  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  8 11  1  0  0  0  0
  8 13  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
 10 12  1  0  0  0  0
 12 15  1  0  0  0  0
M  END

$$$$
D01SUE
  -OEChem-10101305032D

 29 31  0     0  0  0  0  0  0999 V2000
    7.2566    2.0591    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2619   -1.0591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783   -1.8638    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783   -0.2544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.5591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.5591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.0591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9889    0.6961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.0591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.5591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.5591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9674    0.9024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6353    0.1581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2781    1.8529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6138    0.3643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9244    1.3148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7227   -1.4738    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7227   -0.6444    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4272   -2.4307    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2156   -2.1731    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.6791    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5749    1.1576    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.5609    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -1.8691    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -0.2491    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4427   -0.4313    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8640    2.3144    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0279   -0.0972    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5311    1.4427    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 14  1  0  0  0  0
  1 16  2  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2 17  1  0  0  0  0
  2 18  1  0  0  0  0
  3  5  1  0  0  0  0
  3 19  1  0  0  0  0
  3 20  1  0  0  0  0
  4  6  1  0  0  0  0
  4  8  2  0  0  0  0
  5  6  1  0  0  0  0
  5  7  2  0  0  0  0
  6  9  2  0  0  0  0
  7 10  1  0  0  0  0
  7 21  1  0  0  0  0
  8 12  1  0  0  0  0
  8 22  1  0  0  0  0
  9 11  1  0  0  0  0
  9 23  1  0  0  0  0
 10 11  2  0  0  0  0
 10 24  1  0  0  0  0
 11 25  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  2  0  0  0  0
 13 15  2  0  0  0  0
 13 26  1  0  0  0  0
 14 27  1  0  0  0  0
 15 16  1  0  0  0  0
 15 28  1  0  0  0  0
 16 29  1  0  0  0  0
M  END

$$$$
D01SUL
  -OEChem-10111523342D

 46 48  0     1  0  0  0  0  0999 V2000
    3.7320    0.6830    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.3170    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    9.7942   -0.8170    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282   -2.3170    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -1.8170    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -0.3170    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.3170    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -0.8170    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.9282   -0.3170    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.7942   -1.8170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -1.8170    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
   10.2942   -2.6830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7942   -1.8170    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
    8.0622    1.1830    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
    9.7942    2.1830    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
    8.9282    2.6830    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
    3.7320   -0.3170    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
    2.8660   -0.8170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8660   -1.8170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.4516   -1.7093    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8501   -2.3996    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    0.3030    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7573   -2.9930    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6042   -3.2200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8312   -2.3730    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7942   -2.4370    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4142   -1.8170    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7942   -1.1970    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3312    0.8730    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5252    0.8730    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3312    2.4930    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5252    2.4930    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
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    2.3291   -0.5070    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.9370    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  9  1  0  0  0  0
  3 10  1  0  0  0  0
  4 10  1  0  0  0  0
  4 11  1  0  0  0  0
  5 17  2  0  0  0  0
  8  6  1  6  0  0  0
  6 17  1  0  0  0  0
  6 31  1  0  0  0  0
  7 17  1  0  0  0  0
  7 21  1  0  0  0  0
  7 43  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 12  1  6  0  0  0
  9 28  1  0  0  0  0
 10 13  1  0  0  0  0
 10 14  1  0  0  0  0
 11 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 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 18  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
 18 20  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 42  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 22 24  1  0  0  0  0
 23 25  2  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

$$$$
D01SUO
  -OEChem-04152110452D

 82 86  0     1  0  0  0  0  0999 V2000
    2.8990    1.4172    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 40 80  1  0  0  0  0
 40 81  1  0  0  0  0
 40 82  1  0  0  0  0
M  END

$$$$
D01SWO
  -OEChem-10101305032D

 43 47  0     0  0  0  0  0  0999 V2000
    9.6588   -3.0997    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 10 11  1  0  0  0  0
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 24 25  1  0  0  0  0
 24 40  1  0  0  0  0
 25 41  1  0  0  0  0
M  END

$$$$
D01SXB
  -OEChem-10101305022D

 36 38  0     0  0  0  0  0  0999 V2000
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   10.1928    0.2249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3957    0.2249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3176   -1.6423    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7162   -2.3326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2708   -0.8577    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8723   -0.1674    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3957   -2.7250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1928   -2.7250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991    1.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7932    1.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.3700    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
    4.5981   -2.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951   -2.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.3700    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 12  1  0  0  0  0
  3 14  2  0  0  0  0
  4 21  2  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 10  1  0  0  0  0
  6  8  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 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 28  1  0  0  0  0
  9 29  1  0  0  0  0
 10 11  2  0  0  0  0
 11 14  1  0  0  0  0
 11 30  1  0  0  0  0
 12 13  1  0  0  0  0
 12 15  2  0  0  0  0
 13 16  1  0  0  0  0
 13 17  2  0  0  0  0
 14 15  1  0  0  0  0
 15 31  1  0  0  0  0
 16 18  2  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 20  1  0  0  0  0
 18 21  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 36  1  0  0  0  0
M  END

$$$$
D01SYO
  -OEChem-10101305022D

 22 23  0     0  0  0  0  0  0999 V2000
    3.5878    2.8649    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.2788    1.9139    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0878   -3.6739    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5878    2.8649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0878    1.3261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0878   -1.6739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8968    1.9139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    3.6739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2218   -2.1739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9538   -2.1739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0878    0.3261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0878   -0.6739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2218   -3.1739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9538   -3.1739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4865    1.7223    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5016    4.0384    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6356    4.1755    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4984    3.3095    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6848   -1.8639    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4908   -1.8639    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6848   -3.4839    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4908   -3.4839    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  4  2  0  0  0  0
  2  5  1  0  0  0  0
  3 13  2  0  0  0  0
  3 14  1  0  0  0  0
  4  8  1  0  0  0  0
  5  7  2  0  0  0  0
  5 11  1  0  0  0  0
  6  9  2  0  0  0  0
  6 10  1  0  0  0  0
  6 12  1  0  0  0  0
  7 15  1  0  0  0  0
  8 16  1  0  0  0  0
  8 17  1  0  0  0  0
  8 18  1  0  0  0  0
  9 13  1  0  0  0  0
  9 19  1  0  0  0  0
 10 14  2  0  0  0  0
 10 20  1  0  0  0  0
 11 12  3  0  0  0  0
 13 21  1  0  0  0  0
 14 22  1  0  0  0  0
M  END

$$$$
D01SZX
  -OEChem-10101305032D

 33 36  0     0  0  0  0  0  0999 V2000
    4.6660   -2.3624    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660    0.6376    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    1.1822    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.8533    1.5369    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321   -0.8624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4260   -0.3277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4144    0.6722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321   -1.8624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660   -0.3624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000   -0.8624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3321   -0.8416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000   -1.8624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4260   -2.3970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3321   -1.8832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9061   -0.3277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9061   -2.3970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3676    2.1778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1928    0.7860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.8416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.8832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3433    2.3970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1957    1.2523    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8051    0.5575    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8678   -0.5295    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4188   -3.0170    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8678   -2.1953    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9132    0.2922    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9132   -3.0170    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9021    2.5873    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3287    0.1811    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4643   -0.5295    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4643   -2.1953    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5889    2.9663    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
  1 12  1  0  0  0  0
  2  9  2  0  0  0  0
  3  7  1  0  0  0  0
  3 17  1  0  0  0  0
  3 18  1  0  0  0  0
  4 18  2  0  0  0  0
  4 21  1  0  0  0  0
  5  6  2  0  0  0  0
  5  8  1  0  0  0  0
  5  9  1  0  0  0  0
  6  7  1  0  0  0  0
  6 11  1  0  0  0  0
  7 22  1  0  0  0  0
  7 23  1  0  0  0  0
  8 13  2  0  0  0  0
  9 10  1  0  0  0  0
 10 12  1  0  0  0  0
 10 15  2  0  0  0  0
 11 14  2  0  0  0  0
 11 24  1  0  0  0  0
 12 16  2  0  0  0  0
 13 14  1  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 27  1  0  0  0  0
 16 20  1  0  0  0  0
 16 28  1  0  0  0  0
 17 21  2  0  0  0  0
 17 29  1  0  0  0  0
 18 30  1  0  0  0  0
 19 20  2  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
M  END

$$$$
D01TBL
  -OEChem-08301509492D

 25 27  0     0  0  0  0  0  0999 V2000
    6.2619   -1.2924    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783   -2.0971    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5307    2.1850    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9212    2.0186    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.7924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783   -0.4877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.7924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2619   -1.2924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9889    0.4629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.2924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.2924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3211    1.2072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.7924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.7924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3264    1.1044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6655    2.6864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8709   -2.6864    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5956    0.5907    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.3276    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.9124    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -0.4824    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -2.1024    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0975    2.4362    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0155    0.5680    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6018    3.3032    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  2  0  0  0  0
  2  7  1  0  0  0  0
  2  8  1  0  0  0  0
  2 17  1  0  0  0  0
  3 12  1  0  0  0  0
  3 16  1  0  0  0  0
  3 23  1  0  0  0  0
  4 15  1  0  0  0  0
  4 16  2  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 10  2  0  0  0  0
  6  8  1  0  0  0  0
  6  9  2  0  0  0  0
  7 11  2  0  0  0  0
  9 12  1  0  0  0  0
  9 18  1  0  0  0  0
 10 13  1  0  0  0  0
 10 19  1  0  0  0  0
 11 14  1  0  0  0  0
 11 20  1  0  0  0  0
 12 15  2  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 24  1  0  0  0  0
 16 25  1  0  0  0  0
M  END

$$$$
D01TDC
  -OEChem-10101305022D

 18 18  0     1  0  0  0  0  0999 V2000
    4.2690   -0.6900    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    0.8100    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -0.6900    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -0.1900    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.1350    0.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    1.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -0.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -0.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -1.0400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7456    0.7023    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3471    1.3926    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6675    1.7850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8705    1.7850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6910   -1.2269    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5380   -1.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3110   -0.1531    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.3800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -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  8  1  0  0  0  0
  2  6  1  0  0  0  0
  2  8  2  0  0  0  0
  3  8  1  0  0  0  0
  3 17  1  0  0  0  0
  3 18  1  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  6  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
  6 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
M  END

$$$$
D01TDG
  -OEChem-10101305022D

 24 24  0     0  0  0  0  0  0999 V2000
    4.5981    0.5950    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.5950    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.0950    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.0950    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
    3.7320   -0.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.9050    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
    3.7320    1.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8626    1.5700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0656    1.5700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -0.5950    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -0.5950    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -2.2150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -2.2150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.0250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0201    0.0581    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    0.2850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6401    1.1319    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    2.4050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951    2.4050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1 10  1  0  0  0  0
  2  4  1  0  0  0  0
  2 10  2  0  0  0  0
  3 10  1  0  0  0  0
  3 23  1  0  0  0  0
  3 24  1  0  0  0  0
  4  6  2  0  0  0  0
  4  7  1  0  0  0  0
  5 12  1  0  0  0  0
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 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
M  END

$$$$
D01TDV
  -OEChem-10191521482D

 61 65  0     0  0  0  0  0  0999 V2000
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 33 61  1  0  0  0  0
M  END

$$$$
D01TFO
  -OEChem-10101305022D

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 50109  1  0  0  0  0
 51 52  1  0  0  0  0
 51110  1  0  0  0  0
 52111  1  0  0  0  0
M  END

$$$$
D01TFQ
  -OEChem-10101305022D

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 45 82  1  0  0  0  0
 45 83  1  0  0  0  0
M  END

$$$$
D01TGF
 OpenBabel06211915332D

 54 54  0  0  0  0  0  0  0  0999 V2000
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   -3.4641   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4641   -2.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7321   -2.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8660   -1.5000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    0.0000   -3.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8660   -1.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8660   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.0000    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8660    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7321    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7321    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8660   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1  0  0  0
  2 19  1  0  0  0  0
  3  2  1  0  0  0  0
  3 20  2  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  5 22  1  6  0  0  0
  6  5  1  0  0  0  0
  6 27  2  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  6  0  0  0
  8 28  1  0  0  0  0
  9  8  1  0  0  0  0
  9 31  2  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 11 32  1  6  0  0  0
 12 11  1  0  0  0  0
 12 34  2  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 14 35  1  6  0  0  0
 15 14  1  0  0  0  0
 15 40  2  0  0  0  0
 16 15  1  0  0  0  0
 17 16  1  0  0  0  0
 17 18  1  6  0  0  0
 17 41  1  0  0  0  0
 18 43  1  0  0  0  0
 19 21  1  0  0  0  0
 22 23  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
 28 29  1  0  0  0  0
 28 30  1  0  0  0  0
 32 33  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
 37 38  1  0  0  0  0
 38 39  1  0  0  0  0
 41 42  1  0  0  0  0
 43 44  1  0  0  0  0
 44 45  1  0  0  0  0
 44 48  1  6  0  0  0
 45 46  1  0  0  0  0
 45 47  2  0  0  0  0
 48 49  1  0  0  0  0
 49 50  2  0  0  0  0
 50 51  1  0  0  0  0
 51 52  2  0  0  0  0
 52 53  1  0  0  0  0
 53 54  2  0  0  0  0
 54 49  1  0  0  0  0
M  END

$$$$
D01TGI
  -OEChem-10101305022D

 34 36  0     0  0  0  0  0  0999 V2000
    6.0010    1.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    4.0000    0.0000 Cl  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
    2.5369    1.0000    0.0000 O   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   -2.0000    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
    5.1350   -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
    5.1350    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -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
    5.1350    2.5000    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
    5.1350   -3.5000    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
    6.0010    2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    3.5000    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
    6.0010    4.0000    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
    2.8660   -0.8100    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
    5.6720    0.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6720   -2.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6720   -3.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -4.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    3.8100    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
    6.0010    4.6200    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
  1 18  1  0  0  0  0
  2 22  1  0  0  0  0
  3  7  1  0  0  0  0
  3 14  1  0  0  0  0
  4 10  1  0  0  0  0
  4 34  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 12  2  0  0  0  0
  6 13  1  0  0  0  0
  7 10  2  0  0  0  0
  7 11  1  0  0  0  0
  8 10  1  0  0  0  0
  8 23  1  0  0  0  0
  9 11  2  0  0  0  0
  9 24  1  0  0  0  0
 11 25  1  0  0  0  0
 12 15  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  2  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
 16 29  1  0  0  0  0
 17 30  1  0  0  0  0
 18 20  1  0  0  0  0
 19 21  2  0  0  0  0
 19 31  1  0  0  0  0
 20 22  2  0  0  0  0
 20 32  1  0  0  0  0
 21 22  1  0  0  0  0
 21 33  1  0  0  0  0
M  END

$$$$
D01THF
  -OEChem-10101305022D

 37 38  0     0  0  0  0  0  0999 V2000
    3.7320    0.7500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    3.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.7500    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   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.7500    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
    2.0000   -0.2500    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
    4.5981    1.2500    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
    5.4641    0.7500    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
    6.3301    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
    5.4641    2.7500    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
    8.0622    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -2.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -2.0600    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
    1.4631    0.0600    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
    5.7741   -0.7869    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    0.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1541    0.2869    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1120   -3.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3520   -3.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.1300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0611    2.5600    0.0000 H   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
    8.3722    0.7131    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991    1.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7522    1.7869    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  1 12  1  0  0  0  0
  2 16  1  0  0  0  0
  2 20  1  0  0  0  0
  3 19  3  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
  5 10  1  0  0  0  0
  6  9  2  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 13  1  0  0  0  0
  8 21  1  0  0  0  0
  9 22  1  0  0  0  0
 10 23  1  0  0  0  0
 10 24  1  0  0  0  0
 10 25  1  0  0  0  0
 11 26  1  0  0  0  0
 11 27  1  0  0  0  0
 11 28  1  0  0  0  0
 12 14  2  0  0  0  0
 12 15  1  0  0  0  0
 13 29  1  0  0  0  0
 13 30  1  0  0  0  0
 13 31  1  0  0  0  0
 14 16  1  0  0  0  0
 14 32  1  0  0  0  0
 15 18  2  0  0  0  0
 15 33  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 34  1  0  0  0  0
 20 35  1  0  0  0  0
 20 36  1  0  0  0  0
 20 37  1  0  0  0  0
M  END

$$$$
D01THG
  -OEChem-10191522462D

 15 14  0     0  0  0  0  0  0999 V2000
    5.4641   -0.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.2500    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
    2.0000   -0.2500    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
    2.8660    0.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1120   -1.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3520   -1.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900    0.2869    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -0.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   -0.7869    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    0.0600    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  7  2  0  0  0  0
  3  4  2  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
  4  8  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
  6 12  1  0  0  0  0
  6 13  1  0  0  0  0
  6 14  1  0  0  0  0
M  END

$$$$
D01TKS
  -OEChem-04152110452D

 79 80  0     1  0  0  0  0  0999 V2000
   10.6603    7.1550    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    5.6550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    3.1550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603    3.1550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.3450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.3450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -7.3450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    4.1550    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    3.1550    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.3450    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.1550    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -3.3450    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.5263    4.6550    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    4.1550    0.0000 C   0  0  1  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
    9.7942    4.6550    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.0622    4.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942    5.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    5.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.8450    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.5981   -0.3450    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.6603    6.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    2.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603    4.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    1.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    6.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    6.1550    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
    2.8660   -4.3450    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
    7.1962    7.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    7.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    7.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -4.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 41 76  1  0  0  0  0
 41 77  1  0  0  0  0
 41 78  1  0  0  0  0
M  END

$$$$
D01TLN
  -OEChem-04152110332D

 63 68  0     0  0  0  0  0  0999 V2000
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   10.4683   -2.0669    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0698   -1.3766    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   11.3010   -3.1499    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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 27 28  1  0  0  0  0
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 28 55  1  0  0  0  0
 29 56  1  0  0  0  0
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 30 31  2  0  0  0  0
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 33 35  2  0  0  0  0
 33 61  1  0  0  0  0
 34 35  1  0  0  0  0
 34 62  1  0  0  0  0
 35 63  1  0  0  0  0
M  CHG  1   6   1
M  END

$$$$
D01TMC
  -OEChem-10191521582D

 39 42  0     0  0  0  0  0  0999 V2000
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 24 39  1  0  0  0  0
M  END

$$$$
D01TNT
  -OEChem-04152110242D

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M  END

$$$$
D01TOR
  -OEChem-10101305032D

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 24 40  1  0  0  0  0
M  END

$$$$
D01TOU
  -OEChem-10101305022D

 51 53  0     0  0  0  0  0  0999 V2000
    6.3301    6.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -4.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    1.5000    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
    4.5981   -3.0000    0.0000 N   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
    3.7320   -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
    3.7320   -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
    5.4641    0.5000    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
    5.4641    1.5000    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
    6.3301    2.0000    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
    5.4641   -5.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -6.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    3.0000    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
    5.4641    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -4.5000    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
    5.4641    4.5000    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
    6.0747   -1.6077    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
    3.5200   -0.9174    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1215   -1.6077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1215   -2.3923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5200   -3.0826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6762   -3.0826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0747   -2.3923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3860    0.5826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9875   -0.1077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6762   -0.0826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0747    0.6077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2520    2.0826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8535    1.3923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -4.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951   -5.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -5.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -6.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    3.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9272    3.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -3.9631    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -4.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   -5.0369    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
    4.9272    4.8100    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 23  1  0  0  0  0
  3 16  2  0  0  0  0
  4  6  1  0  0  0  0
  4  7  1  0  0  0  0
  4 10  1  0  0  0  0
  5  8  1  0  0  0  0
  5  9  1  0  0  0  0
  5 12  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 29  1  0  0  0  0
  7 30  1  0  0  0  0
  8 33  1  0  0  0  0
  8 34  1  0  0  0  0
  9 31  1  0  0  0  0
  9 32  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 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 15  2  0  0  0  0
 13 16  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
 15 18  1  0  0  0  0
 15 41  1  0  0  0  0
 16 20  1  0  0  0  0
 17 19  1  0  0  0  0
 17 42  1  0  0  0  0
 18 19  2  0  0  0  0
 18 43  1  0  0  0  0
 19 44  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 45  1  0  0  0  0
 22 25  2  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 26  2  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

$$$$
D01TPW
  -OEChem-10101305032D

  1  0  0     0  0  0  0  0  0999 V2000
    2.0000    0.0000    0.0000 Na  0  4  0  0  0  0  0  0  0  0  0  0
M  RAD  1   1   2
M  END

$$$$
D01TQD
  -OEChem-10191522502D

 43 44  0     1  0  0  0  0  0999 V2000
   13.7953    0.7500    0.0000 F   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   -2.7500    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
    7.7331   -1.7500    0.0000 N   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  1  0  0  0  0  0  0  0  0  0
    2.9030   -2.1160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9030   -0.3840    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   -1.7500    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
    6.8671   -0.2500    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
    8.5991   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991   -1.2500    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
   11.1972    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3312    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0632    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1972    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9292    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0632    2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9292    2.2500    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
    4.4399   -0.6940    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2130    0.1530    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3660   -0.0740    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3660   -1.8060    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5930   -2.6530    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4399   -2.4260    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6490   -2.7500    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
    4.8890   -2.7500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -0.6300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    0.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1360   -1.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.0632    0.1300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603    2.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.0632    3.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.4662    2.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 22  1  0  0  0  0
  2  6  1  0  0  0  0
  2 36  1  0  0  0  0
  3 11  2  0  0  0  0
  7  4  1  6  0  0  0
  4 11  1  0  0  0  0
  4 35  1  0  0  0  0
  5 12  2  0  0  0  0
  5 16  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 10  1  0  0  0  0
  7 25  1  0  0  0  0
  8 29  1  0  0  0  0
  8 30  1  0  0  0  0
  8 31  1  0  0  0  0
  9 26  1  0  0  0  0
  9 27  1  0  0  0  0
  9 28  1  0  0  0  0
 10 32  1  0  0  0  0
 10 33  1  0  0  0  0
 10 34  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  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
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 16 39  1  0  0  0  0
 17 19  3  0  0  0  0
 18 19  1  0  0  0  0
 18 20  2  0  0  0  0
 18 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
M  END

$$$$
D01TRI
  -OEChem-10101305022D

 58 62  0     0  0  0  0  0  0999 V2000
    9.8660    2.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8660   -2.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.2679   -0.4725    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.4725    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3359    1.0241    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.3961    1.0241    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.7320    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0000    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0000   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7320   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8660    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8660   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1060    1.0347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6260    1.0347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2000    0.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5320    0.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6260   -1.0347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1060   -1.0347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2000   -0.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5320   -0.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2641    0.5275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4679    0.5275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1282    1.0308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6038    1.0308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7359    0.5342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9961    0.5342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8718    1.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7320   -0.4658    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8602    1.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   16.8679   -0.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   17.7320   -0.4591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.4591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1132    1.6546    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.6188    1.6546    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1132   -1.6546    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.6188   -1.6546    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   13.0678   -0.8329    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.3937    1.6442    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3383    1.6442    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.5249    1.5073    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.7278    1.5042    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   15.4642   -0.7779    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  3 21  2  0  0  0  0
  4 22  2  0  0  0  0
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  5 22  1  0  0  0  0
  5 44  1  0  0  0  0
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  6 43  1  0  0  0  0
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  7 14  1  0  0  0  0
  8  9  2  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 18  1  0  0  0  0
 10 12  1  0  0  0  0
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 33 35  1  0  0  0  0
 33 55  1  0  0  0  0
 34 36  1  0  0  0  0
 34 56  1  0  0  0  0
 35 57  1  0  0  0  0
 36 58  1  0  0  0  0
M  END

$$$$
D01TRN
  -OEChem-10191522322D

 64 68  0     1  0  0  0  0  0999 V2000
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   13.7832   -2.7809    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   15.0232   -2.7809    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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 18 46  1  0  0  0  0
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 28 36  1  0  0  0  0
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 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

$$$$
D01TSM
  -OEChem-10101305032D

 43 45  0     0  0  0  0  0  0999 V2000
    6.0010    1.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651   -3.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 24 25  1  0  0  0  0
 24 42  1  0  0  0  0
 25 43  1  0  0  0  0
M  END

$$$$
D01TSX
  -OEChem-10101305032D

 31 31  0     1  0  0  0  0  0999 V2000
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    6.3301    1.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  6  4  1  6  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 16  1  0  0  0  0
  5 17  1  0  0  0  0
  6  9  1  0  0  0  0
  6 18  1  0  0  0  0
  7  8  1  0  0  0  0
  7 10  2  0  0  0  0
  8 12  2  0  0  0  0
  9 19  1  0  0  0  0
  9 20  1  0  0  0  0
  9 21  1  0  0  0  0
 10 11  1  0  0  0  0
 10 22  1  0  0  0  0
 11 13  2  0  0  0  0
 12 13  1  0  0  0  0
 12 25  1  0  0  0  0
 14 26  1  0  0  0  0
 14 27  1  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
M  END

$$$$
D01TUB
  -OEChem-10101305022D

 29 31  0     0  0  0  0  0  0999 V2000
    6.3301    2.2500    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    9.8602    1.2741    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    0.7500    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
    4.5981   -0.7500    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
    5.4641    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0901   -0.7847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0901    1.2847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9962    0.7708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9962   -0.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.2500    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
    2.8660   -0.7500    0.0000 C   0  0  0  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
    2.8660   -1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -1.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9272    1.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0829   -1.4046    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0829    1.9046    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5319   -0.5829    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -2.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -0.4400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3984    0.9662    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  2 13  1  0  0  0  0
  2 29  1  0  0  0  0
  3 19  2  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  4 20  1  0  0  0  0
  5  6  2  0  0  0  0
  5 11  1  0  0  0  0
  6  9  1  0  0  0  0
  6 12  1  0  0  0  0
  7  8  2  0  0  0  0
  7 10  1  0  0  0  0
  8 15  1  0  0  0  0
  8 16  1  0  0  0  0
  9 10  2  0  0  0  0
 10 21  1  0  0  0  0
 11 14  2  0  0  0  0
 11 22  1  0  0  0  0
 12 13  2  0  0  0  0
 12 23  1  0  0  0  0
 13 14  1  0  0  0  0
 14 24  1  0  0  0  0
 15 17  2  0  0  0  0
 15 25  1  0  0  0  0
 16 18  2  0  0  0  0
 16 26  1  0  0  0  0
 17 19  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
M  END

$$$$
D01TVT
          03011100062D 1   1.00000     0.00000     0

 21 21  0     1  0            999 V2000
    3.1916   -2.8084    0.0000 C   0  0  2  0  0  0           0  0  0
    4.0166   -2.8084    0.0000 C   0  0  0  0  0  0           0  0  0
    4.2734   -2.0242    0.0000 C   0  0  0  0  0  0           0  0  0
    3.6041   -1.5375    0.0000 C   0  0  0  0  0  0           0  0  0
    2.9391   -2.0242    0.0000 S   0  0  0  0  0  0           0  0  0
    3.6029   -0.7125    0.0000 O   0  0  0  0  0  0           0  0  0
    4.5008   -3.4764    0.0000 O   0  0  0  0  0  0           0  0  0
    2.4708   -3.2167    0.0000 C   0  0  0  0  0  0           0  0  0
    3.1833   -3.6333    0.0000 C   0  0  0  0  0  0           0  0  0
    1.7598   -2.7983    0.0000 C   0  0  0  0  0  0           0  0  0
    1.0419   -3.2049    0.0000 C   0  0  0  0  0  0           0  0  0
    0.3309   -2.7866    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.3870   -3.1932    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.0980   -2.7748    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.8158   -3.1815    0.0000 C   0  0  0  0  0  0           0  0  0
   -2.5269   -2.7631    0.0000 C   0  0  0  0  0  0           0  0  0
    5.3214   -3.3911    0.0000 C   0  0  0  0  0  0           0  0  0
    5.8055   -4.0591    0.0000 O   0  0  0  0  0  0           0  0  0
    5.6578   -2.6378    0.0000 O   0  0  0  0  0  0           0  0  0
    5.4691   -4.8124    0.0000 C   0  0  0  0  0  0           0  0  0
    5.9532   -5.4804    0.0000 C   0  0  0  0  0  0           0  0  0
  8 10  1  0     0  0
  4  5  1  0     0  0
 10 11  1  0     0  0
  5  1  1  0     0  0
 11 12  1  0     0  0
  1  2  1  0     0  0
 12 13  1  0     0  0
  4  6  2  0     0  0
 13 14  1  0     0  0
 14 15  1  0     0  0
  2  7  1  0     0  0
 15 16  1  0     0  0
  7 17  1  0     0  0
  1  8  1  0     0  0
 17 18  1  0     0  0
  2  3  2  0     0  0
 17 19  2  0     0  0
  1  9  1  6     0  0
 18 20  1  0     0  0
  3  4  1  0     0  0
 20 21  1  0     0  0
M  END

$$$$
D01TWD
  -OEChem-10101305022D

 58 60  0     1  0  0  0  0  0999 V2000
    5.4641   -0.8100    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282   -0.8100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9641   -1.6760    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9641    0.0560    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -2.3100    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -1.3100    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942    3.6900    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    3.6900    0.0000 N   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
    8.9282   -2.8100    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
    7.1962   -3.8100    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
    7.1962   -0.8100    0.0000 C   0  0  3  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    0.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    0.6900    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
    8.0622    1.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    0.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    2.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942    0.6900    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
    3.7320   -0.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942    1.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.1900    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
    2.8660    0.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    3.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5388   -2.9177    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1403   -2.2274    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9841   -2.2274    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    6.5856   -3.7023    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   10.3312    0.3800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3312    2.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   10.3312    3.3800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1  3  2  0  0  0  0
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  1  6  1  0  0  0  0
  1 18  1  0  0  0  0
  2 15  2  0  0  0  0
  5  9  1  0  0  0  0
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  6 44  1  0  0  0  0
  7 29  1  0  0  0  0
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  8 29  2  0  0  0  0
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  9 33  1  0  0  0  0
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 10 11  1  0  0  0  0
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 10 32  1  0  0  0  0
 11 13  1  0  0  0  0
 11 37  1  0  0  0  0
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 13 39  1  0  0  0  0
 13 40  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 14 41  1  0  0  0  0
 16 17  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  2  0  0  0  0
 18 23  2  0  0  0  0
 18 24  1  0  0  0  0
 19 21  2  0  0  0  0
 19 45  1  0  0  0  0
 20 22  1  0  0  0  0
 20 46  1  0  0  0  0
 21 25  1  0  0  0  0
 21 29  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 47  1  0  0  0  0
 24 27  2  0  0  0  0
 24 48  1  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 30  1  0  0  0  0
 30 53  1  0  0  0  0
 30 54  1  0  0  0  0
 30 55  1  0  0  0  0
M  END

$$$$
D01TYJ
  -OEChem-10101305022D

 35 37  0     0  0  0  0  0  0999 V2000
    6.7210   -0.0041    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.6715   -0.3148    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7705    0.3065    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 10 19  1  0  0  0  0
 11 25  1  0  0  0  0
 11 34  1  0  0  0  0
 11 35  1  0  0  0  0
 12 13  2  0  0  0  0
 12 17  1  0  0  0  0
 13 15  1  0  0  0  0
 13 16  1  0  0  0  0
 14 15  2  0  0  0  0
 14 26  1  0  0  0  0
 15 27  1  0  0  0  0
 16 20  2  0  0  0  0
 17 19  2  0  0  0  0
 17 28  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 29  1  0  0  0  0
 21 23  1  0  0  0  0
 21 30  1  0  0  0  0
 22 24  2  0  0  0  0
 22 31  1  0  0  0  0
 23 25  2  0  0  0  0
 23 32  1  0  0  0  0
 24 25  1  0  0  0  0
 24 33  1  0  0  0  0
M  CHG  4   4  -1   6  -1   9   1  10   1
M  END

$$$$
D01TYO
  -OEChem-10101305032D

 69 71  0     1  0  0  0  0  0999 V2000
    6.0437    0.9691    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3943   -0.3345    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0863    0.8694    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9954   -2.5327    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5025   -3.9558    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8219   -3.5368    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8394   -0.7456    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0437    2.9691    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0437    3.9691    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.1776    2.4691    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.9376    2.4344    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.9376    4.5037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3116    2.9691    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.1776    4.4691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8437    3.9899    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.8437    2.9483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3116    3.9691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9260    1.4345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1776    1.4691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3268    3.1428    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7078    4.4932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8356    0.5294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6840    2.3766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9848    4.0825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3948   -0.2996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8743    0.2538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7791   -1.0877    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.0000    4.2561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0548   -2.0489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0251   -2.2908    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.2670   -1.3205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7832   -3.2611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0371    2.1191    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0371    4.8191    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7146    2.1591    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4715    2.1193    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3312    4.9828    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5330    4.9735    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0995    2.3865    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5762    4.9440    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7791    4.9440    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8401    4.6099    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0527    2.3646    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4545    3.0544    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0995    4.5517    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7010    3.8614    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3061    1.4417    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9189    0.8145    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5460    1.4273    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0198    3.9575    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2435    4.8053    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3957    5.0290    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2090    2.7752    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2855    1.9017    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1590    1.9782    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3833    4.5574    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3257   -1.5105    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3254   -1.0923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1076    4.8667    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3894    4.3638    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8924    3.6456    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4382   -2.1137    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0115   -2.6674    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6853   -0.8819    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8686   -1.4705    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4170   -0.7189    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6655   -1.1705    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4261   -2.0867    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3525   -4.5574    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 19  2  0  0  0  0
  2 25  1  0  0  0  0
  2 64  1  0  0  0  0
  3 26  2  0  0  0  0
 30  4  1  6  0  0  0
  4 68  1  0  0  0  0
  5 32  1  0  0  0  0
  5 69  1  0  0  0  0
  6 32  2  0  0  0  0
  7 26  1  0  0  0  0
  7 27  1  0  0  0  0
  7 58  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 33  1  6  0  0  0
  9 12  1  0  0  0  0
  9 14  1  0  0  0  0
  9 34  1  1  0  0  0
 10 13  1  0  0  0  0
 10 19  1  6  0  0  0
 10 35  1  0  0  0  0
 11 16  1  0  0  0  0
 11 18  1  6  0  0  0
 11 36  1  0  0  0  0
 12 15  1  0  0  0  0
 12 37  1  0  0  0  0
 12 38  1  0  0  0  0
 13 17  1  0  0  0  0
 13 20  1  6  0  0  0
 13 39  1  0  0  0  0
 14 17  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
 15 21  1  6  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 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
 18 49  1  0  0  0  0
 19 22  1  0  0  0  0
 20 23  1  0  0  0  0
 20 24  2  0  0  0  0
 21 50  1  0  0  0  0
 21 51  1  0  0  0  0
 21 52  1  0  0  0  0
 22 25  2  0  0  0  0
 22 26  1  0  0  0  0
 23 53  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 56  1  0  0  0  0
 25 27  1  0  0  0  0
 27 29  1  1  0  0  0
 27 57  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 30  1  0  0  0  0
 29 62  1  0  0  0  0
 29 63  1  0  0  0  0
 30 31  1  0  0  0  0
 30 32  1  0  0  0  0
 31 65  1  0  0  0  0
 31 66  1  0  0  0  0
 31 67  1  0  0  0  0
M  END

$$$$
D01TZT
  -OEChem-10101305022D

 30 31  0     0  0  0  0  0  0999 V2000
    2.0000   -1.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    3.0000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.8660    1.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.0000    0.0000 N   0  3  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
    3.7320   -3.0000    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
    4.5981   -2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.5000    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
    3.7320    0.0000    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
    4.5981    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.0000    0.0000 C   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
    6.3301    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    1.5000    0.0000 C   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
    3.3335   -3.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1306   -3.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2554   -2.3923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6540   -3.0826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8101   -3.0826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2087   -2.3923    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
    5.4641    2.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    0.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    1.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  2  0  0  0  0
  2 12  2  0  0  0  0
  3 13  2  0  0  0  0
  4  6  1  0  0  0  0
  5  6  2  0  0  0  0
  6 15  1  0  0  0  0
  7 11  1  0  0  0  0
  7 12  1  0  0  0  0
  7 13  1  0  0  0  0
  7 20  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 21  1  0  0  0  0
  8 22  1  0  0  0  0
  9 11  1  0  0  0  0
  9 23  1  0  0  0  0
  9 24  1  0  0  0  0
 10 12  1  0  0  0  0
 10 25  1  0  0  0  0
 10 26  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  2  0  0  0  0
 15 17  2  0  0  0  0
 16 18  1  0  0  0  0
 16 27  1  0  0  0  0
 17 19  1  0  0  0  0
 17 28  1  0  0  0  0
 18 19  2  0  0  0  0
 18 29  1  0  0  0  0
 19 30  1  0  0  0  0
M  CHG  2   4  -1   6   1
M  END

$$$$
D01UAO
  -OEChem-04152110122D

 28 29  0     0  0  0  0  0  0999 V2000
    2.0000    0.0950    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.9050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    4.0950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -4.4050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -3.4050    0.0000 N   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
    3.7320    1.0950    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
    2.8660   -0.4050    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
    2.8660   -1.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.9050    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
    4.5981    1.5950    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
    3.7320    3.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -0.0950    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -1.7150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1215   -2.7973    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5200   -3.4876    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291    1.2850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    1.2850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291    2.9050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    2.9050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.5250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    4.4050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  2 11  1  0  0  0  0
  2 27  1  0  0  0  0
  3 18  1  0  0  0  0
  3 28  1  0  0  0  0
  4  5  2  0  0  0  0
  5 13  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 14  2  0  0  0  0
  7 15  1  0  0  0  0
  8 11  2  0  0  0  0
  8 12  1  0  0  0  0
  8 13  1  0  0  0  0
  9 11  1  0  0  0  0
 10 12  2  0  0  0  0
 10 19  1  0  0  0  0
 12 20  1  0  0  0  0
 13 21  1  0  0  0  0
 13 22  1  0  0  0  0
 14 16  1  0  0  0  0
 14 23  1  0  0  0  0
 15 17  2  0  0  0  0
 15 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
M  END

$$$$
D01UAS
  -OEChem-10101305032D

 27 28  0     0  0  0  0  0  0999 V2000
    9.8602   -0.8342    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.3100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -1.8100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.8100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    1.1900    0.0000 N   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
    7.1962    0.6900    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
    6.3301   -0.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0901   -0.8447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.5981   -0.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1 13  1  0  0  0  0
  2 15  1  0  0  0  0
  2 16  1  0  0  0  0
  3  9  2  0  0  0  0
  4 15  2  0  0  0  0
  5  7  1  0  0  0  0
  5 10  1  0  0  0  0
  5 18  1  0  0  0  0
  6  7  2  0  0  0  0
  6  9  1  0  0  0  0
  6 11  1  0  0  0  0
  7 12  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  2  0  0  0  0
  8 15  1  0  0  0  0
 10 19  1  0  0  0  0
 11 13  2  0  0  0  0
 11 20  1  0  0  0  0
 12 14  2  0  0  0  0
 12 21  1  0  0  0  0
 13 14  1  0  0  0  0
 14 22  1  0  0  0  0
 16 17  1  0  0  0  0
 16 23  1  0  0  0  0
 16 24  1  0  0  0  0
 17 25  1  0  0  0  0
 17 26  1  0  0  0  0
 17 27  1  0  0  0  0
M  END

$$$$
D01UDC
  -OEChem-10101305032D

 27 28  0     1  0  0  0  0  0999 V2000
    6.7806   -1.6222    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2806   -0.7561    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9709    1.9512    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4487    0.0027    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.7075    0.9686    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.2806   -0.7561    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
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    2.9136   -1.2404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1045    0.1608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.8337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.2806   -2.4882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.8719   -1.2223    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    6.7515    0.7924    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5759   -1.7604    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0023    0.7723    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4848    0.1419    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6609    2.4882    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3936   -0.7048    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8084   -1.4234    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    8.5906   -3.0251    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8176   -2.1782    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 11  2  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3 22  1  0  0  0  0
  4  6  1  0  0  0  0
  4  8  1  0  0  0  0
  4 13  1  0  0  0  0
  5  7  1  0  0  0  0
  5  9  1  0  0  0  0
  5 14  1  0  0  0  0
  6  7  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 10  1  0  0  0  0
  8 18  1  0  0  0  0
  8 19  1  0  0  0  0
  9 10  1  0  0  0  0
  9 20  1  0  0  0  0
  9 21  1  0  0  0  0
 10 23  1  0  0  0  0
 10 24  1  0  0  0  0
 11 12  1  0  0  0  0
 12 25  1  0  0  0  0
 12 26  1  0  0  0  0
 12 27  1  0  0  0  0
M  END

$$$$
D01UDU
  -OEChem-10101305022D

 21 21  0     0  0  0  0  0  0999 V2000
    2.0000   -1.0950    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.9050    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7320    2.9050    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.5950    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8660    0.4050    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   -1.0950    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
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    2.3291    0.7150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.2690    3.2150    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
  2  3  2  0  0  0  0
  2  4  2  0  0  0  0
  2  6  1  0  0  0  0
  2  8  1  0  0  0  0
  5  7  1  0  0  0  0
  5 11  1  0  0  0  0
  5 17  1  0  0  0  0
  6 18  1  0  0  0  0
  6 19  1  0  0  0  0
  7 20  1  0  0  0  0
  7 21  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 14  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
 11 13  1  0  0  0  0
 13 16  1  0  0  0  0
M  END

$$$$
D01UFF
  -OEChem-10191522332D

 57 60  0     1  0  0  0  0  0999 V2000
    7.9821    2.2787    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9391    2.6912    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.7732    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    7.3931   -0.7208    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.5271   -1.2208    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.6610   -0.7208    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.3393    0.5839    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.3393   -1.0256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9229   -0.2208    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.5271    0.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6610    0.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7510   -1.2277    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    5.6451   -2.7901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7430   -2.2693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9229   -0.2208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.8076   -2.8190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4229   -1.0869    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8680   -2.2765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.9018    1.0232    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0883   -1.5925    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8767   -1.3348    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   10.5055   -0.0088    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   10.2423    1.6533    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5458    2.8190    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 19  2  0  0  0  0
  2 24  1  0  0  0  0
  2 57  1  0  0  0  0
  3 25  2  0  0  0  0
  4  5  1  0  0  0  0
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  4 11  1  0  0  0  0
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  5 26  1  6  0  0  0
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  6 14  1  0  0  0  0
  6 27  1  1  0  0  0
  7 12  1  0  0  0  0
  7 13  1  0  0  0  0
  7 28  1  6  0  0  0
  8 10  1  0  0  0  0
  8 19  1  1  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 18  1  6  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 17  1  0  0  0  0
 13 20  1  0  0  0  0
 13 37  1  1  0  0  0
 14 16  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
 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 22  2  0  0  0  0
 18 23  1  0  0  0  0
 18 45  1  0  0  0  0
 18 46  1  0  0  0  0
 19 24  1  0  0  0  0
 20 21  1  0  0  0  0
 20 47  1  0  0  0  0
 20 48  1  0  0  0  0
 21 25  1  0  0  0  0
 21 49  1  0  0  0  0
 21 50  1  0  0  0  0
 22 25  1  0  0  0  0
 22 51  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
M  END

$$$$
D01UFM
  -OEChem-10101305032D

 37 39  0     0  0  0  0  0  0999 V2000
    3.7320    0.9827    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    2.4827    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.4827    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.5173    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0000   -1.0173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.5173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.0173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.4827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.9827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.4827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    0.9827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.1962    1.9827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.0901    2.5173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.9962    2.0035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.3973    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2646   -0.0424    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4675   -0.0424    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9441   -2.5999    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3426   -1.9097    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7880   -0.4347    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4675   -2.9923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    1.3894   -1.9097    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    6.3301   -0.1373    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0829   -0.1720    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0829    3.1373    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5319    0.6498    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5319    2.3156    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  2  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  5  1  0  0  0  0
  4 11  1  0  0  0  0
  4 32  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 21  1  0  0  0  0
  6  8  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 24  1  0  0  0  0
  7 25  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 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
 12 13  2  0  0  0  0
 12 15  1  0  0  0  0
 13 14  1  0  0  0  0
 13 33  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 34  1  0  0  0  0
 18 20  1  0  0  0  0
 18 35  1  0  0  0  0
 19 20  2  0  0  0  0
 19 36  1  0  0  0  0
 20 37  1  0  0  0  0
M  END

$$$$
D01UHU
          12010900062D 1   1.00000     0.00000     0

 10  7  0     0  0            999 V2000
    3.9556   -6.3500    0.0000 C   0  0  0  0  0  0           0  0  0
    3.9568   -7.0607    0.0000 C   0  0  0  0  0  0           0  0  0
    3.3419   -7.4152    0.0000 C   0  0  0  0  0  0           0  0  0
    2.7297   -7.0602    0.0000 N   0  0  0  0  0  0           0  0  0
    2.7325   -6.3463    0.0000 C   0  0  0  0  0  0           0  0  0
    3.3437   -5.9955    0.0000 C   0  0  0  0  0  0           0  0  0
    1.3333   -8.1875    0.0000 N   0  0  0  0  0  0           0  0  0
    2.7375   -8.1875    0.0000 N   0  0  0  0  0  0           0  0  0
    2.0208   -7.4375    0.0000 Pt  0  3  0  0  0  0           0  0  0
    1.4042   -7.0833    0.0000 Cl  0  0  0  0  0  0           0  0  0
  3  4  2  0     0  0
  4  5  1  0     0  0
  5  6  2  0     0  0
  6  1  1  0     0  0
  1  2  2  0     0  0
  2  3  1  0     0  0
  9 10  1  0     0  0
M  CHG  1   9   1
M  END

$$$$
D01UIY
  -OEChem-10101305032D

 39 39  0     0  0  0  0  0  0999 V2000
    3.7320   -0.7500    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
    6.3301    3.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    2.2500    0.0000 N   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
    6.3301    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.7500    0.0000 C   0  0  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
    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
    6.3301   -2.2500    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
    5.4641   -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
    7.1962    3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.7500    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
    7.1962   -3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2520    0.8326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8535    0.1423    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5422    0.1674    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9407    0.8577    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1181    2.3326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7196    1.6423    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -0.9400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0611   -2.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    1.9400    0.0000 H   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
    2.4675   -1.7250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2646   -1.7250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   -0.2131    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -0.4400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -1.2869    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3722    3.2131    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
    7.7522    4.2869    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5762   -3.7500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -4.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8162   -3.7500    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 11  1  0  0  0  0
  2 18  1  0  0  0  0
  3 15  2  0  0  0  0
  4  8  1  0  0  0  0
  4 15  1  0  0  0  0
  4 27  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  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 21  1  0  0  0  0
  6 22  1  0  0  0  0
  7  9  2  0  0  0  0
  7 10  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
 10 11  2  0  0  0  0
 10 25  1  0  0  0  0
 11 13  1  0  0  0  0
 12 13  2  0  0  0  0
 12 26  1  0  0  0  0
 13 28  1  0  0  0  0
 14 16  1  0  0  0  0
 14 29  1  0  0  0  0
 14 30  1  0  0  0  0
 15 17  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 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
M  END

$$$$
D01UJL
  -OEChem-10101305022D

 34 33  0     1  0  0  0  0  0999 V2000
    6.4641    1.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5981    3.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -2.2500    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    3.8660    2.2500    0.0000 N   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
    3.8660   -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
    3.0000   -3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0000   -2.2500    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
    4.7320    1.7500    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.5981    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7880   -0.6674    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3894   -1.3577    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0781   -1.3326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4766   -0.6423    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6540    0.8326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2554    0.1423    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3800   -3.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.6300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3800   -2.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0000   -2.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6200   -2.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0000   -1.6300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -3.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6200   -3.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9441    0.1674    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3426    0.8577    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7320    2.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3291    1.9400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8660    2.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0010    2.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  1  0  0  0  0
  1 34  1  0  0  0  0
  2 13  2  0  0  0  0
  3  5  1  0  0  0  0
  3  8  1  0  0  0  0
  3  9  1  0  0  0  0
  3 10  1  0  0  0  0
 12  4  1  6  0  0  0
  4 32  1  0  0  0  0
  4 33  1  0  0  0  0
  5  6  1  0  0  0  0
  5 14  1  0  0  0  0
  5 15  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 11  1  0  0  0  0
  7 18  1  0  0  0  0
  7 19  1  0  0  0  0
  8 20  1  0  0  0  0
  8 27  1  0  0  0  0
  8 28  1  0  0  0  0
  9 21  1  0  0  0  0
  9 22  1  0  0  0  0
  9 23  1  0  0  0  0
 10 24  1  0  0  0  0
 10 25  1  0  0  0  0
 10 26  1  0  0  0  0
 11 12  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
 12 31  1  0  0  0  0
M  CHG  1   3   1
M  END

$$$$
D01UKL
  -OEChem-10101305022D

 63 62  0     1  0  0  0  0  0999 V2000
    7.7331    1.8450    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    0.8450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    2.3450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651    4.8450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991    0.3450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    3.8450    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
   12.9292    3.8450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0632    2.3450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    0.3450    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    3.8450    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.3312    3.3450    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    4.8450    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -2.1550    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
    6.0010   -1.1550    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
    6.8671   -0.6550    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
    8.5991    3.3450    0.0000 C   0  0  1  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
    8.5991    2.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.8671    3.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651    3.8450    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
    3.4030    3.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1972    3.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0632    3.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.0569   -3.5724    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6584   -4.2627    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991    3.9650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7365    2.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5335    2.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3996    4.3200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6025    4.3200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8112    1.7624    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2097    2.4527    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    4.4650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6490   -5.1550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   10.3312    2.7250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   13.4662    3.5350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 23  1  0  0  0  0
  1 28  1  0  0  0  0
  2 10  1  0  0  0  0
  2 59  1  0  0  0  0
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  4 27  2  0  0  0  0
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  6 62  1  0  0  0  0
  7 29  2  0  0  0  0
  8 31  1  0  0  0  0
  8 63  1  0  0  0  0
  9 31  2  0  0  0  0
 10 18  1  0  0  0  0
 10 28  1  0  0  0  0
 20 11  1  6  0  0  0
 11 26  1  0  0  0  0
 11 51  1  0  0  0  0
 12 27  1  0  0  0  0
 12 30  1  0  0  0  0
 12 56  1  0  0  0  0
 24 13  1  1  0  0  0
 13 57  1  0  0  0  0
 13 58  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 14 32  1  0  0  0  0
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 15 17  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 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
 17 39  1  0  0  0  0
 18 40  1  0  0  0  0
 18 41  1  0  0  0  0
 19 25  1  0  0  0  0
 19 42  1  0  0  0  0
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 20 23  1  0  0  0  0
 20 27  1  0  0  0  0
 20 44  1  0  0  0  0
 21 22  1  0  0  0  0
 21 24  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
 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 29  1  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
 25 55  1  0  0  0  0
 30 31  1  0  0  0  0
 30 60  1  0  0  0  0
 30 61  1  0  0  0  0
M  END

$$$$
D01UKV
  -OEChem-10101305022D

 43 46  0     0  0  0  0  0  0999 V2000
    4.4495   -2.0108    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4756    3.8188    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2168    2.8529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2390    4.6674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0488    2.0941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1050    5.1674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3076    3.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4848    1.8529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9848    2.7189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2260    0.8869    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9330    0.1798    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2600    0.6281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6742   -0.7861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.1114   -5.3470    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5466   -5.7663    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 15  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  9  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3  8  1  0  0  0  0
  3 23  1  0  0  0  0
  4  6  1  0  0  0  0
  4 26  1  0  0  0  0
  4 27  1  0  0  0  0
  5  7  1  0  0  0  0
  5 24  1  0  0  0  0
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  6 28  1  0  0  0  0
  6 29  1  0  0  0  0
  7 30  1  0  0  0  0
  7 31  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
  9 32  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 11 13  1  0  0  0  0
 11 33  1  0  0  0  0
 12 14  2  0  0  0  0
 12 34  1  0  0  0  0
 13 15  2  0  0  0  0
 13 35  1  0  0  0  0
 14 15  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 18  2  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
 18 39  1  0  0  0  0
 19 21  2  0  0  0  0
 19 40  1  0  0  0  0
 20 22  2  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 43  1  0  0  0  0
M  END

$$$$
D01ULE
  -OEChem-10101305032D

 21 21  0     1  0  0  0  0  0999 V2000
    2.5369    1.0485    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    1.0485    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    1.5485    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7690    1.9145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7690    0.1825    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    0.5485    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
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    4.2690   -0.9515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -1.9515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -1.9515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -2.4515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    1.1685    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.6415    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0000   -2.2615    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    3.4030   -3.0715    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.7385    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    2.1685    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0790    2.4515    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1 19  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3 20  1  0  0  0  0
  4 21  1  0  0  0  0
  6  7  1  0  0  0  0
  6 13  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  8 10  1  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 12  2  0  0  0  0
 10 16  1  0  0  0  0
 11 12  1  0  0  0  0
 11 17  1  0  0  0  0
 12 18  1  0  0  0  0
M  END

$$$$
D01ULX
  -OEChem-04152111232D

 50 51  0     1  0  0  0  0  0999 V2000
    2.0000   -5.0600    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -5.0600    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    2.9400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    2.4400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    4.4400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    2.4400    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
    8.0622    1.4400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.9400    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.4400    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.5981    2.4400    0.0000 C   0  0  1  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
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    3.7320   -0.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.3301    1.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    3.9400    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 27  1  0  0  0  0
 11  3  1  1  0  0  0
  3 38  1  0  0  0  0
 13  4  1  1  0  0  0
  4 41  1  0  0  0  0
  5 18  1  0  0  0  0
  5 46  1  0  0  0  0
  6 17  2  0  0  0  0
  7 18  2  0  0  0  0
  8 22  1  0  0  0  0
  8 29  1  0  0  0  0
 10  9  1  1  0  0  0
  9 17  1  0  0  0  0
  9 35  1  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
 12 14  1  0  0  0  0
 12 32  1  0  0  0  0
 12 33  1  0  0  0  0
 13 18  1  0  0  0  0
 13 34  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 15 20  1  0  0  0  0
 15 36  1  0  0  0  0
 16 21  2  0  0  0  0
 16 37  1  0  0  0  0
 17 22  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 19 23  1  0  0  0  0
 20 39  1  0  0  0  0
 21 40  1  0  0  0  0
 22 42  1  0  0  0  0
 22 43  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
 24 27  1  0  0  0  0
 24 44  1  0  0  0  0
 25 26  2  0  0  0  0
 25 45  1  0  0  0  0
 26 28  1  0  0  0  0
 27 28  2  0  0  0  0
 28 47  1  0  0  0  0
 29 48  1  0  0  0  0
 29 49  1  0  0  0  0
 29 50  1  0  0  0  0
M  END

$$$$
D01UNC
  -OEChem-10101305022D

 25 25  0     0  0  0  0  0  0999 V2000
    3.0000    0.3450    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.0000    0.3450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 13 21  1  0  0  0  0
 14 22  1  0  0  0  0
M  END

$$$$
D01UNE
  -OEChem-10191521492D

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M  END

$$$$
D01UNT
  -OEChem-04152109372D

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 29 15  1  1  0  0  0
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 44 79  1  0  0  0  0
 45 46  1  0  0  0  0
 45 80  1  0  0  0  0
M  END

$$$$
D01UOO
  -OEChem-10101305032D

 39 41  0     0  0  0  0  0  0999 V2000
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    9.8602   -1.2621    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
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  9 14  1  0  0  0  0
 11 15  1  0  0  0  0
 13 18  2  0  0  0  0
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 20 24  1  0  0  0  0
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 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
M  CHG  2   3  -1   7   1
M  END

$$$$
D01UPT
          01210517092D 1   1.00000     0.00000     0

 18 19  0     0  0            999 V2000
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  2  1  1  0     0  0
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  4  5  1  0     0  0
  5  1  2  0     0  0
  6 15  1  0     0  0
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 10  4  1  0     0  0
 11  8  1  0     0  0
 12 10  2  0     0  0
 13  9  2  0     0  0
 14  2  1  0     0  0
 15 11  1  0     0  0
 16 12  1  0     0  0
 17  7  1  0     0  0
 18 11  1  0     0  0
  4  3  2  0     0  0
 12 13  1  0     0  0
M  END

$$$$
D01URR
  -OEChem-10191521532D

 55 58  0     0  0  0  0  0  0999 V2000
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 22 48  1  0  0  0  0
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 23 25  2  0  0  0  0
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 25 27  1  0  0  0  0
 25 50  1  0  0  0  0
 26 28  2  0  0  0  0
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 27 30  1  0  0  0  0
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 28 52  1  0  0  0  0
 29 31  1  0  0  0  0
 30 53  1  0  0  0  0
 30 54  1  0  0  0  0
 30 55  1  0  0  0  0
M  END

$$$$
D01URS
  -OEChem-10191522342D

 38 39  0     1  0  0  0  0  0999 V2000
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    2.5369    2.6900    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    6.8671   -1.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 15 35  1  0  0  0  0
 16 17  1  0  0  0  0
 16 36  1  0  0  0  0
M  END

$$$$
D01USH
  -OEChem-10191521352D

 75 78  0     1  0  0  0  0  0999 V2000
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 23  2  1  1  0  0  0
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 25 26  1  0  0  0  0
 25 64  1  0  0  0  0
 25 65  1  0  0  0  0
 26 27  1  0  0  0  0
 26 67  1  0  0  0  0
 26 68  1  0  0  0  0
 27 28  1  0  0  0  0
 27 29  1  0  0  0  0
 27 69  1  0  0  0  0
 28 71  1  0  0  0  0
 28 74  1  0  0  0  0
 28 75  1  0  0  0  0
 29 70  1  0  0  0  0
 29 72  1  0  0  0  0
 29 73  1  0  0  0  0
M  END

$$$$
D01UUH
  -OEChem-10101305022D

 21 22  0     0  0  0  0  0  0999 V2000
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M  END

$$$$
D01UUW
  -OEChem-04152109362D

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 44112  1  0  0  0  0
 44113  1  0  0  0  0
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 46119  1  0  0  0  0
 46120  1  0  0  0  0
 47 49  2  0  0  0  0
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 49 53  1  0  0  0  0
 49123  1  0  0  0  0
 50 54  1  0  0  0  0
 50124  1  0  0  0  0
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 51125  1  0  0  0  0
 52 56  2  0  0  0  0
 52126  1  0  0  0  0
 53 57  2  0  0  0  0
 53127  1  0  0  0  0
 54 58  2  0  0  0  0
 54128  1  0  0  0  0
 55 57  1  0  0  0  0
 55129  1  0  0  0  0
 56 58  1  0  0  0  0
 56130  1  0  0  0  0
 59133  1  0  0  0  0
 59134  1  0  0  0  0
 59135  1  0  0  0  0
 60136  1  0  0  0  0
 60137  1  0  0  0  0
 60138  1  0  0  0  0
 61 62  2  0  0  0  0
 61 63  1  0  0  0  0
 61139  1  0  0  0  0
 62 64  1  0  0  0  0
 62140  1  0  0  0  0
M  END

$$$$
D01UUZ
  -OEChem-10101305032D

 52 52  0     1  0  0  0  0  0999 V2000
    7.1962    2.4400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    5.9400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1 21  2  0  0  0  0
  2 22  1  0  0  0  0
  2 52  1  0  0  0  0
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 17  4  1  1  0  0  0
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 10 12  1  0  0  0  0
 10 33  1  0  0  0  0
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 11 15  1  0  0  0  0
 11 35  1  0  0  0  0
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 12 14  1  0  0  0  0
 13 18  1  0  0  0  0
 13 37  1  0  0  0  0
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 15 39  1  0  0  0  0
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 16 18  2  0  0  0  0
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 17 20  1  0  0  0  0
 17 21  1  0  0  0  0
 17 42  1  0  0  0  0
 18 43  1  0  0  0  0
 19 44  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
 22 48  1  0  0  0  0
 22 49  1  0  0  0  0
M  END

$$$$
D01UVA
  -OEChem-10191522442D

 54 56  0     1  0  0  0  0  0999 V2000
    7.1949    1.4782    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9510    0.9756    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6576   -2.3508    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7084    3.1493    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2704   -0.3230    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3598   -3.5637    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9696    1.3827    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1949    1.4782    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.9609    0.8354    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.9152    2.1709    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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  1  8  1  0  0  0  0
  1  9  1  0  0  0  0
  9  2  1  1  0  0  0
  2 44  1  0  0  0  0
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  3 21  1  0  0  0  0
 10  4  1  1  0  0  0
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 15  5  1  6  0  0  0
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  7 23  2  0  0  0  0
  8 10  1  0  0  0  0
  8 13  1  0  0  0  0
  8 18  1  1  0  0  0
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 10 12  1  0  0  0  0
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 11 17  1  0  0  0  0
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 11 28  1  0  0  0  0
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 13 15  1  0  0  0  0
 13 31  1  0  0  0  0
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 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 14 20  1  0  0  0  0
 14 33  1  1  0  0  0
 15 34  1  0  0  0  0
 16 17  1  0  0  0  0
 16 35  1  6  0  0  0
 17 36  1  0  0  0  0
 17 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 41  1  0  0  0  0
 19 42  1  0  0  0  0
 19 43  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  2  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
 24 25  1  0  0  0  0
 24 26  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
 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
M  END

$$$$
D01UVD
  -OEChem-10101305022D

 59 58  0     0  0  0  0  0  0999 V2000
   12.3923    5.0600    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
   11.5263    1.5600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603    3.0600    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    8.9282    0.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.7942    0.5600    0.0000 C   0  0  0  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
    9.7942    1.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8660   -2.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.6603    2.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.9400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0000    0.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5263    3.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5263    4.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 10 14  1  0  0  0  0
 10 36  1  0  0  0  0
 10 37  1  0  0  0  0
 11 17  2  0  0  0  0
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 13 16  1  0  0  0  0
 13 41  1  0  0  0  0
 13 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 21  1  0  0  0  0
 16 45  1  0  0  0  0
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 17 18  1  0  0  0  0
 17 47  1  0  0  0  0
 18 20  1  0  0  0  0
 18 48  1  0  0  0  0
 18 49  1  0  0  0  0
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 21 55  1  0  0  0  0
 22 23  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
M  END

$$$$
D01UVU
  -OEChem-10101305032D

 25 27  0     0  0  0  0  0  0999 V2000
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    5.1350    1.6276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1 11  1  0  0  0  0
  2 17  1  0  0  0  0
  2 25  1  0  0  0  0
  3  5  1  0  0  0  0
  3  8  1  0  0  0  0
  3  9  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  5 14  2  0  0  0  0
  6  7  1  0  0  0  0
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  6 10  1  0  0  0  0
  7 12  2  0  0  0  0
  7 13  1  0  0  0  0
  8 18  1  0  0  0  0
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 10 19  1  0  0  0  0
 11 14  1  0  0  0  0
 12 15  1  0  0  0  0
 12 20  1  0  0  0  0
 13 16  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
 16 17  1  0  0  0  0
 16 24  1  0  0  0  0
M  END

$$$$
D01UWZ
  -OEChem-10191521542D

 91 93  0     0  0  0  0  0  0999 V2000
   13.5418    5.8274    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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 34 72  1  0  0  0  0
 35 40  1  0  0  0  0
 35 73  1  0  0  0  0
 36 41  2  0  0  0  0
 36 74  1  0  0  0  0
 37 39  1  0  0  0  0
 37 75  1  0  0  0  0
 38 76  1  0  0  0  0
 38 77  1  0  0  0  0
 38 78  1  0  0  0  0
 39 81  1  0  0  0  0
 40 42  2  0  0  0  0
 41 42  1  0  0  0  0
 41 82  1  0  0  0  0
 42 83  1  0  0  0  0
 43 44  1  0  0  0  0
 43 84  1  0  0  0  0
 43 85  1  0  0  0  0
 44 45  1  0  0  0  0
 44 86  1  0  0  0  0
 44 87  1  0  0  0  0
 45 88  1  0  0  0  0
 45 89  1  0  0  0  0
M  END

$$$$
D01UXP
          07151100512D 1   1.00000     0.00000     0

 23 25  0     0  0            999 V2000
   -1.3037   -0.7250    0.0000 O   0  0  0  0  0  0           0  0  0
   -1.7263   -0.1525    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.3116    0.4274    0.0000 O   0  0  0  0  0  0           0  0  0
   -0.6357    0.2120    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.6289   -0.4954    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.0087   -0.8462    0.0000 C   0  0  0  0  0  0           0  0  0
    0.6010   -0.4875    0.0000 C   0  0  0  0  0  0           0  0  0
    0.5963    0.2235    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.0238    0.5743    0.0000 C   0  0  0  0  0  0           0  0  0
    1.2082    0.5859    0.0000 C   0  0  0  0  0  0           0  0  0
    1.2002    1.2911    0.0000 O   0  0  0  0  0  0           0  0  0
    1.8169    0.2379    0.0000 N   0  0  3  0  0  0           0  0  0
    2.4330    0.5967    0.0000 N   0  0  0  0  0  0           0  0  0
    3.0462    0.2475    0.0000 C   0  0  0  0  0  0           0  0  0
    4.2344    0.1799    0.0000 O   0  0  0  0  0  0           0  0  0
    3.6657    0.6034    0.0000 C   0  0  0  0  0  0           0  0  0
    3.8852    1.2778    0.0000 C   0  0  0  0  0  0           0  0  0
    4.5979    1.2740    0.0000 C   0  0  0  0  0  0           0  0  0
    4.8138    0.5966    0.0000 C   0  0  0  0  0  0           0  0  0
    5.4281    0.2479    0.0000 N   0  3  0  0  0  0           0  0  0
    5.4209   -0.4617    0.0000 O   0  0  0  0  0  0           0  0  0
    6.0441    0.6024    0.0000 O   0  5  0  0  0  0           0  0  0
    1.8272   -0.4698    0.0000 C   0  0  0  0  0  0           0  0  0
  2  1  1  0     0  0
  3  2  1  0     0  0
  4  3  1  0     0  0
  5  4  1  0     0  0
  5  1  1  0     0  0
  7  6  1  0     0  0
  8  7  2  0     0  0
  9  8  1  0     0  0
  9  4  2  0     0  0
  6  5  2  0     0  0
 13 12  1  0     0  0
 10 11  2  0     0  0
 10 12  1  0     0  0
  8 10  1  0     0  0
 16 15  1  0     0  0
 17 16  2  0     0  0
 18 17  1  0     0  0
 19 18  2  0     0  0
 19 15  1  0     0  0
 21 20  2  0     0  0
 22 20  1  0     0  0
 19 20  1  0     0  0
 14 16  1  0     0  0
 13 14  2  0     0  0
 12 23  1  0     0  0
M  CHG  2  20   1  22  -1
M  END

$$$$
D01UYI
  -OEChem-10101305032D

 29 31  0     0  0  0  0  0  0999 V2000
    5.4641    0.9254    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2125   -2.1092    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -2.0746    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9942    0.9495    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.5746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.4254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.4254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.0746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.9254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2241   -1.1093    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.5746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2241    0.9601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1301    0.4462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1301   -0.5954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.9254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.4254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    2.4254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.9254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.9254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0611   -0.8846    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2169    1.5800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6659   -0.9075    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    2.2354    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.1946    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    3.0454    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    0.6154    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    2.2354    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7458   -2.4254    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5323    0.6416    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  7  1  0  0  0  0
  2 10  1  0  0  0  0
  2 28  1  0  0  0  0
  3  8  2  0  0  0  0
  4 13  1  0  0  0  0
  4 29  1  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  5 10  2  0  0  0  0
  6 12  2  0  0  0  0
  7  9  1  0  0  0  0
  7 11  2  0  0  0  0
  8 11  1  0  0  0  0
  9 15  2  0  0  0  0
  9 16  1  0  0  0  0
 10 14  1  0  0  0  0
 11 20  1  0  0  0  0
 12 13  1  0  0  0  0
 12 21  1  0  0  0  0
 13 14  2  0  0  0  0
 14 22  1  0  0  0  0
 15 17  1  0  0  0  0
 15 23  1  0  0  0  0
 16 18  2  0  0  0  0
 16 24  1  0  0  0  0
 17 19  2  0  0  0  0
 17 25  1  0  0  0  0
 18 19  1  0  0  0  0
 18 26  1  0  0  0  0
 19 27  1  0  0  0  0
M  END

$$$$
D01UYS
  -OEChem-10101305022D

 35 37  0     0  0  0  0  0  0999 V2000
    2.0000   -0.7329    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.2671    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8544   -2.2671    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4920    1.3017    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.9942   -0.7638    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.2329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.7671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981   -0.2537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4920   -0.7676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.7329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2622   -0.7571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.2671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.2329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.7671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981    0.7879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1301   -0.2604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2583   -1.7571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1224   -2.2604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9904   -1.7637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.7329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.2671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4848   -1.3875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    6.9338    1.1000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1325    0.3596    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7202   -2.0650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5323   -0.4558    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1200   -2.8804    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3800   -1.7329    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.3529    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6200   -1.7329    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6200    2.2671    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.8871    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3800    2.2671    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  1  0  0  0  0
  1 20  1  0  0  0  0
  2 14  1  0  0  0  0
  2 21  1  0  0  0  0
  3 19  2  0  0  0  0
  4  7  2  0  0  0  0
  4 15  1  0  0  0  0
  5 16  1  0  0  0  0
  5 19  1  0  0  0  0
  5 28  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 12  1  0  0  0  0
  8  9  1  0  0  0  0
  8 11  1  0  0  0  0
  8 15  2  0  0  0  0
  9 22  1  0  0  0  0
 10 13  2  0  0  0  0
 10 23  1  0  0  0  0
 11 16  2  0  0  0  0
 11 17  1  0  0  0  0
 12 14  2  0  0  0  0
 12 24  1  0  0  0  0
 13 14  1  0  0  0  0
 15 25  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 19  1  0  0  0  0
 18 29  1  0  0  0  0
 20 30  1  0  0  0  0
 20 31  1  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 35  1  0  0  0  0
M  END

$$$$
D01UZH
          05230700062D 1   1.00000     0.00000     0

 25 27  0     0  0            999 V2000
   -1.8996   -2.1554    0.0000 N   0  0  0  0  0  0           0  0  0
   -1.2872   -2.5114    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.6734   -2.1604    0.0000 N   0  0  3  0  0  0           0  0  0
   -0.6720   -1.4533    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.2843   -1.0972    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.8981   -1.4483    0.0000 C   0  0  0  0  0  0           0  0  0
   -2.5104   -1.0922    0.0000 O   0  0  0  0  0  0           0  0  0
   -1.2897   -3.2197    0.0000 O   0  0  0  0  0  0           0  0  0
   -0.0611   -2.5164    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.0632   -3.2247    0.0000 C   0  0  3  0  0  0           0  0  0
   -0.0576   -1.1007    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.2818   -0.3889    0.0000 C   0  0  3  0  0  0           0  0  0
    0.5549   -1.4564    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.0558   -0.3923    0.0000 O   0  0  0  0  0  0           0  0  0
   -0.6671   -0.0369    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.8939   -0.0325    0.0000 C   0  0  0  0  0  0           0  0  0
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    1.1621   -2.5180    0.0000 C   0  0  0  0  0  0           0  0  0
    1.7773   -2.1654    0.0000 C   0  0  0  0  0  0           0  0  0
    1.7768   -1.4534    0.0000 C   0  0  0  0  0  0           0  0  0
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   -0.4180   -3.8349    0.0000 C   0  0  0  0  0  0           0  0  0
    0.2903   -3.8370    0.0000 C   0  0  0  0  0  0           0  0  0
  5  6  1  0     0  0
 11 13  1  0     0  0
 11 14  2  0     0  0
  6  7  2  0     0  0
 12 15  1  0     0  0
  1  2  1  0     0  0
 12 16  1  0     0  0
  2  8  2  0     0  0
 13 17  2  0     0  0
  1  6  1  0     0  0
 17 18  1  0     0  0
  3  9  1  0     0  0
 18 19  2  0     0  0
  2  3  1  0     0  0
 19 20  1  0     0  0
  9 10  1  0     0  0
 20 21  2  0     0  0
 21 13  1  0     0  0
  3  4  1  0     0  0
 20 22  1  0     0  0
  4 11  1  0     0  0
 18 23  1  0     0  0
 24 10  1  0     0  0
 25 24  1  0     0  0
 10 25  1  0     0  0
  4  5  2  0     0  0
  5 12  1  0     0  0
M  END

$$$$
D01UZT
  -OEChem-10101305022D

 28 30  0     0  0  0  0  0  0999 V2000
    4.6701   -4.0352    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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    5.1701    1.5036    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5878    2.2081    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6701   -0.0352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.8611    0.5526    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4791    0.5526    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5823    2.3126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8041   -1.5352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5361   -1.5352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9890    3.2262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.5361   -2.5352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.4013    4.0352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    3.0171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4067    3.9307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0730   -1.2252    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    3.2671   -2.8452    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0730   -2.8452    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    1.3834    2.9523    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1 15  1  0  0  0  0
  2  3  1  0  0  0  0
  2  7  1  0  0  0  0
  2  9  1  0  0  0  0
  3  8  2  0  0  0  0
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  4 17  2  0  0  0  0
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  6 10  2  0  0  0  0
  6 11  1  0  0  0  0
  7 19  1  0  0  0  0
  8 20  1  0  0  0  0
  9 12  2  0  0  0  0
 10 13  1  0  0  0  0
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 11 22  1  0  0  0  0
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 13 15  2  0  0  0  0
 13 24  1  0  0  0  0
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M  END

$$$$
D01VAU
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M  END

$$$$
D01VCE
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 29 30  2  0     0  0
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 19 21  1  6     0  0
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 55 58  1  0     0  0
361373  1  0     0  0
  5  7  1  0     0  0
373374  1  0     0  0
 58 59  1  0     0  0
374375  1  0     0  0
 34  1  1  0     0  0
375376  1  0     0  0
 34 60  2  0     0  0
375377  2  0     0  0
 14 16  1  6     0  0
357378  2  0     0  0
357379  1  0     0  0
 24 61  1  0     0  0
376380  1  0     0  0
380381  1  0     0  0
 61 62  1  0     0  0
381382  2  0     0  0
381314  1  0     0  0
  2  3  1  0     0  0
348383  1  0     0  0
383232  1  0     0  0
 61 63  2  0     0  0
383384  2  0     0  0
 15 17  1  1     0  0
334385  1  0     0  0
385150  1  0     0  0
 62 64  1  0     0  0
385386  2  0     0  0
  7  8  1  0     0  0
341387  1  0     0  0
 64 65  1  0     0  0
387388  2  0     0  0
387 68  1  0     0  0
 15 18  1  0     0  0
M  CHG  4 358  -1 359  -1 360  -1 389   3
M  END

$$$$
D01VCS
  -OEChem-10101305022D

 26 27  0     0  0  0  0  0  0999 V2000
    2.0000   -1.2500    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    1.2500    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.2500    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.2500    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.2500    0.0000 O   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
    4.5981    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.2500    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
    2.8660   -1.7500    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
    4.5981   -1.7500    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
    2.8660   -2.7500    0.0000 C   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
    4.5981   -2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    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
    3.7320   -3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -3.0600    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
    5.1350   -3.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951    3.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    3.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  0  0  0  0
  2 12  1  0  0  0  0
  3 13  1  0  0  0  0
  4 14  1  0  0  0  0
  5  9  2  0  0  0  0
  6 10  2  0  0  0  0
  7  9  1  0  0  0  0
  7 11  2  0  0  0  0
  7 13  1  0  0  0  0
  8 10  1  0  0  0  0
  8 12  2  0  0  0  0
  8 14  1  0  0  0  0
  9 10  1  0  0  0  0
 11 15  1  0  0  0  0
 12 16  1  0  0  0  0
 13 17  2  0  0  0  0
 14 18  2  0  0  0  0
 15 20  2  0  0  0  0
 15 21  1  0  0  0  0
 16 19  2  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
 18 19  1  0  0  0  0
 18 24  1  0  0  0  0
 19 26  1  0  0  0  0
 20 25  1  0  0  0  0
M  END

$$$$
D01VDB
  -OEChem-10101305032D

 48 50  0     1  0  0  0  0  0999 V2000
    5.1350   -1.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    0.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -0.2500    0.0000 O   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
    6.0010   -3.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    1.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -1.2500    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.2690   -0.2500    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.1350    0.2500    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.4030   -1.7500    0.0000 C   0  0  2  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
    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   -3.2500    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
    4.2690    1.7500    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
    6.8671    0.2500    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
    7.7331   -0.2500    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
    9.4651   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651   -1.2500    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
   10.3312   -1.7500    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
   11.1972   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0051   -0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -0.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -1.1300    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
    2.8660   -0.0600    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
    6.5380    1.4400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.4400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5380    3.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    3.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1  7  1  0  0  0  0
  1 13  1  0  0  0  0
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 10  4  1  6  0  0  0
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 10 12  1  0  0  0  0
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 11 15  2  0  0  0  0
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 26 46  1  0  0  0  0
 27 28  1  0  0  0  0
 27 47  1  0  0  0  0
 28 48  1  0  0  0  0
M  END

$$$$
D01VEP
  -OEChem-10101305032D

 66 66  0     0  0  0  0  0  0999 V2000
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  1 20  1  0  0  0  0
  1 22  1  0  0  0  0
  2 22  2  0  0  0  0
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  3 64  1  0  0  0  0
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 15 17  1  0  0  0  0
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 15 48  1  0  0  0  0
 16 18  1  0  0  0  0
 16 49  1  0  0  0  0
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 17 51  1  0  0  0  0
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 21 60  1  0  0  0  0
 21 61  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
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 24 62  1  0  0  0  0
 25 26  2  0  0  0  0
 25 63  1  0  0  0  0
 26 28  1  0  0  0  0
 27 28  2  0  0  0  0
M  END

$$$$
D01VEU
  -OEChem-10101305022D

 33 35  0     0  0  0  0  0  0999 V2000
    4.6783   -0.7100    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783    0.8995    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.9052    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.5948    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    2.0948    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7320    0.5948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2619    0.0948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3211   -2.4048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.0948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2619    0.0948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.4052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2619    0.0948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2619    0.0948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7619    0.9608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.2619    0.0948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  9  1  0  0  0  0
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  3  6  2  0  0  0  0
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  7 10  1  0  0  0  0
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  8 11  2  0  0  0  0
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 10 23  1  0  0  0  0
 10 24  1  0  0  0  0
 10 25  1  0  0  0  0
 12 15  3  0  0  0  0
 13 26  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  2  0  0  0  0
 14 17  1  0  0  0  0
 16 18  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 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
M  END

$$$$
D01VEV
  -OEChem-04152111032D

106109  0     1  0  0  0  0  0999 V2000
    7.5299   13.0769    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.6639   14.5769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 46104  1  0  0  0  0
 46105  1  0  0  0  0
 46106  1  0  0  0  0
M  END

$$$$
D01VFR
  -OEChem-10101305032D

 36 38  0     0  0  0  0  0  0999 V2000
    9.7758   -3.0445    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.5099    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    8.0901    0.9752    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1 18  1  0  0  0  0
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  4  8  1  0  0  0  0
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  6 21  1  0  0  0  0
  6 28  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  7 10  1  0  0  0  0
  8 12  1  0  0  0  0
 10 11  2  0  0  0  0
 10 24  1  0  0  0  0
 11 13  1  0  0  0  0
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 13 27  1  0  0  0  0
 14 15  2  0  0  0  0
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 15 29  1  0  0  0  0
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 16 30  1  0  0  0  0
 17 31  1  0  0  0  0
 18 20  2  0  0  0  0
 19 20  1  0  0  0  0
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 21 22  1  0  0  0  0
 22 23  2  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
M  END

$$$$
D01VIA
  -OEChem-10101305032D

 57 60  0     0  0  0  0  0  0999 V2000
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 25 27  1  0  0  0  0
 25 55  1  0  0  0  0
 26 56  1  0  0  0  0
 27 57  1  0  0  0  0
M  END

$$$$
D01VIX
  -OEChem-10191522012D

 50 52  0     0  0  0  0  0  0999 V2000
    6.4641    1.9050    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    5.9050    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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    3.0000    3.9050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6540   -1.0124    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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 18 42  1  0  0  0  0
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 20 22  1  0  0  0  0
 20 23  2  0  0  0  0
 22 24  2  0  0  0  0
 22 47  1  0  0  0  0
 23 25  1  0  0  0  0
 24 26  1  0  0  0  0
 25 26  2  0  0  0  0
 25 48  1  0  0  0  0
 26 50  1  0  0  0  0
M  END

$$$$
D01VJT
  -OEChem-10101305022D

 48 52  0     0  0  0  0  0  0999 V2000
    6.4144   -1.1827    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.1962    1.8760    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660    2.8519    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660   -1.1482    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4144    2.8864    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    3.8000    1.3518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000    0.3519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660    1.8518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.3321    1.3727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3321    0.3310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9061    1.8865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.0641    1.3793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2631   -2.6927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 13 15  2  0  0  0  0
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 16 33  1  0  0  0  0
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 18 35  1  0  0  0  0
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 20 22  2  0  0  0  0
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 22 39  1  0  0  0  0
 23 27  2  0  0  0  0
 23 40  1  0  0  0  0
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 26 30  2  0  0  0  0
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 28 31  2  0  0  0  0
 28 45  1  0  0  0  0
 29 31  1  0  0  0  0
 29 46  1  0  0  0  0
 30 47  1  0  0  0  0
 31 48  1  0  0  0  0
M  END

$$$$
D01VKE
  -OEChem-10101305032D

 49 52  0     1  0  0  0  0  0999 V2000
    9.1857    2.1767    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5357   -2.1309    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    7.0628   -0.5785    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.9288   -0.0785    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.9288    0.9215    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.2868   -0.5854    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.1968    0.9215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0628    1.4215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8750   -0.3833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0789   -1.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2787   -1.6270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3599   -0.0213    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8750    1.2262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END

$$$$
D01VKI
  -OEChem-10191522352D

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 89171  1  0  0  0  0
 89172  1  0  0  0  0
M  END

$$$$
D01VLQ
  -OEChem-10101305032D

 55 54  0     1  0  0  0  0  0999 V2000
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 22 23  1  0  0  0  0
 22 54  1  0  0  0  0
M  END

$$$$
D01VLV
  -OEChem-10191521372D

 41 43  0     0  0  0  0  0  0999 V2000
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M  END

$$$$
D01VMU
  -OEChem-10101305022D

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M  END

$$$$
D01VNL
          11210700352D 1   1.00000     0.00000     0

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   11.7961   -0.0514    0.0000 N   0  0  3  0  0  0           0  0  0
   12.5044   -0.0462    0.0000 C   0  0  0  0  0  0           0  0  0
   12.8612   -0.6589    0.0000 C   0  0  0  0  0  0           0  0  0
   13.5689   -0.6540    0.0000 C   0  0  0  0  0  0           0  0  0
   13.9192   -0.0375    0.0000 C   0  0  0  0  0  0           0  0  0
   13.5567    0.5754    0.0000 C   0  0  0  0  0  0           0  0  0
   12.8503    0.5674    0.0000 C   0  0  0  0  0  0           0  0  0
   11.3792   -1.3292    0.0000 C   0  0  0  0  0  0           0  0  0
   11.9903   -1.6873    0.0000 C   0  0  0  0  0  0           0  0  0
   11.9857   -2.3956    0.0000 N   0  0  3  0  0  0           0  0  0
   12.6060   -1.3371    0.0000 O   0  0  0  0  0  0           0  0  0
   11.3706   -2.7410    0.0000 C   0  0  0  0  0  0           0  0  0
   11.3643   -3.4462    0.0000 C   0  0  0  0  0  0           0  0  0
   11.9738   -3.8076    0.0000 N   0  0  3  0  0  0           0  0  0
   12.5911   -3.4586    0.0000 C   0  0  0  0  0  0           0  0  0
   12.5988   -2.7480    0.0000 C   0  0  0  0  0  0           0  0  0
   11.9665   -4.5159    0.0000 C   0  0  0  0  0  0           0  0  0
  8  9  1  0     0  0
 18 19  2  0     0  0
 19 14  1  0     0  0
  9 10  1  0     0  0
 10  6  1  0     0  0
 11 12  2  0     0  0
 11  4  1  0     0  0
  6  7  1  0     0  0
  1  2  2  0     0  0
 12  3  1  0     0  0
  3 13  1  0     0  0
 13  2  1  0     0  0
  2 11  1  0     0  0
  3 20  1  6     0  0
  4  7  2  0     0  0
 20 21  1  0     0  0
 13 14  1  0     0  0
 21 22  1  0     0  0
 14 15  2  0     0  0
 21 23  2  0     0  0
 22 24  1  0     0  0
  6  5  2  0     0  0
 15 16  1  0     0  0
  5 12  1  0     0  0
 16 17  2  0     0  0
  7  8  1  0     0  0
 22 28  1  0     0  0
 24 25  1  0     0  0
 25 26  1  0     0  0
 26 27  1  0     0  0
 27 28  1  0     0  0
 17 18  1  0     0  0
 26 29  1  0     0  0
M  END

$$$$
D01VNN
  -OEChem-10101305022D

 33 34  0     0  0  0  0  0  0999 V2000
    2.5369    0.0950    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -2.9050    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    2.0950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -3.9050    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
    8.5991   -2.4050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    3.5950    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
    6.0010    0.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    0.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -0.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    1.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -1.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -1.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    2.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -2.4050    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
    5.1350   -2.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    1.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -2.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    3.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331   -2.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6116   -0.0127    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2131    0.6776    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6720    1.9050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4040   -1.0950    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -0.5250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.0950    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.7850    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
    9.1360   -2.7150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    4.2150    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 20  1  0  0  0  0
  3 30  1  0  0  0  0
  4 21  1  0  0  0  0
  4 31  1  0  0  0  0
  5 22  1  0  0  0  0
  5 33  1  0  0  0  0
  6 23  1  0  0  0  0
  6 32  1  0  0  0  0
  7 22  2  0  0  0  0
  8 23  2  0  0  0  0
  9 10  1  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 12  1  0  0  0  0
 10 14  2  0  0  0  0
 11 13  1  0  0  0  0
 11 15  2  0  0  0  0
 12 16  2  0  0  0  0
 12 26  1  0  0  0  0
 13 17  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  1  0  0  0  0
 15 29  1  0  0  0  0
 16 20  1  0  0  0  0
 16 22  1  0  0  0  0
 17 21  1  0  0  0  0
 17 23  1  0  0  0  0
 18 20  2  0  0  0  0
 19 21  2  0  0  0  0
M  END

$$$$
D01VOJ
          04191100542D 1   1.00000     0.00000     0

 19 20  0     0  0            999 V2000
   -1.6598   -0.8500    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.6609   -1.5607    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.0461   -1.9152    0.0000 N   0  0  3  0  0  0           0  0  0
   -0.4338   -1.5602    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.4367   -0.8463    0.0000 N   0  0  0  0  0  0           0  0  0
   -1.0479   -0.4955    0.0000 C   0  0  0  0  0  0           0  0  0
    0.1806   -1.9126    0.0000 N   0  0  0  0  0  0           0  0  0
    0.7930   -1.5566    0.0000 C   0  0  0  0  0  0           0  0  0
    1.4075   -1.9090    0.0000 N   0  0  0  0  0  0           0  0  0
    2.0199   -1.5530    0.0000 C   0  0  0  0  0  0           0  0  0
    2.6322   -1.9059    0.0000 C   0  0  0  0  0  0           0  0  0
    3.2441   -1.5505    0.0000 C   0  0  0  0  0  0           0  0  0
    3.2424   -0.8415    0.0000 C   0  0  0  0  0  0           0  0  0
    2.6237   -0.4892    0.0000 C   0  0  0  0  0  0           0  0  0
    2.0142   -0.8466    0.0000 C   0  0  0  0  0  0           0  0  0
    0.7910   -0.8483    0.0000 O   0  0  0  0  0  0           0  0  0
   -1.0493    0.2128    0.0000 O   0  0  0  0  0  0           0  0  0
   -1.0453   -2.6235    0.0000 C   0  0  0  0  0  0           0  0  0
    3.8584   -1.9032    0.0000 Cl  0  0  0  0  0  0           0  0  0
  4  5  2  0     0  0
  9 10  1  0     0  0
  2  3  1  0     0  0
 10 11  2  0     0  0
  5  6  1  0     0  0
 11 12  1  0     0  0
  6  1  1  0     0  0
 12 13  2  0     0  0
  1  2  1  0     0  0
 13 14  1  0     0  0
  4  7  1  0     0  0
 14 15  2  0     0  0
 15 10  1  0     0  0
  3  4  1  0     0  0
  8 16  2  0     0  0
  7  8  1  0     0  0
  6 17  2  0     0  0
  3 18  1  0     0  0
  8  9  1  0     0  0
 12 19  1  0     0  0
M  END

$$$$
D01VOU
  -OEChem-10101305022D

 33 34  0     0  0  0  0  0  0999 V2000
    2.5369   -0.9050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -0.9050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    0.5950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -3.9050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    0.5950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991    3.5950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -0.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    2.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -1.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -1.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    1.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    0.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -2.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -2.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    1.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -2.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    3.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    2.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    3.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    3.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.9050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6720    0.2850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.7150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6720   -2.7150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    3.4050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2700    1.7850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    4.2150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.2150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5380   -1.2150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4040    0.2850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -4.2150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991    4.2150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  1 29  1  0  0  0  0
  2 10  1  0  0  0  0
  2 30  1  0  0  0  0
  3 16  1  0  0  0  0
  3 31  1  0  0  0  0
  4 17  1  0  0  0  0
  4 32  1  0  0  0  0
  5 11  2  0  0  0  0
  6 21  1  0  0  0  0
  6 33  1  0  0  0  0
  7  9  2  0  0  0  0
  7 10  1  0  0  0  0
  7 11  1  0  0  0  0
  8 12  1  0  0  0  0
  8 16  2  0  0  0  0
  8 18  1  0  0  0  0
  9 14  1  0  0  0  0
 10 15  2  0  0  0  0
 11 13  1  0  0  0  0
 12 13  2  0  0  0  0
 12 22  1  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 17  1  0  0  0  0
 15 25  1  0  0  0  0
 16 19  1  0  0  0  0
 18 20  2  0  0  0  0
 18 26  1  0  0  0  0
 19 21  2  0  0  0  0
 19 27  1  0  0  0  0
 20 21  1  0  0  0  0
 20 28  1  0  0  0  0
M  END

$$$$
D01VPZ
  -OEChem-10101305022D

 30 32  0     0  0  0  0  0  0999 V2000
    6.3301   -2.2500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.7500    0.0000 O   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
    4.5981    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.7500    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
    4.5981    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0901   -1.2847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0901    0.7847    0.0000 C   0  0  0  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
    2.8660    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9962   -0.7708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9962    0.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9272   -1.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    2.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0829   -1.9046    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0829    1.4046    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291    0.4400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5319   -1.0829    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5319    0.5829    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100    2.7869    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    2.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900    1.7131    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  2  0  0  0  0
  2  3  1  0  0  0  0
  2  6  1  0  0  0  0
  3  4  1  0  0  0  0
  3  7  2  0  0  0  0
  4  9  2  0  0  0  0
  4 10  1  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  5 12  2  0  0  0  0
  6 13  2  0  0  0  0
  7  8  1  0  0  0  0
  7 19  1  0  0  0  0
  9 14  1  0  0  0  0
  9 20  1  0  0  0  0
 10 15  2  0  0  0  0
 10 21  1  0  0  0  0
 11 14  2  0  0  0  0
 11 15  1  0  0  0  0
 11 18  1  0  0  0  0
 12 16  1  0  0  0  0
 12 22  1  0  0  0  0
 13 17  1  0  0  0  0
 13 23  1  0  0  0  0
 14 24  1  0  0  0  0
 15 25  1  0  0  0  0
 16 17  2  0  0  0  0
 16 26  1  0  0  0  0
 17 27  1  0  0  0  0
 18 28  1  0  0  0  0
 18 29  1  0  0  0  0
 18 30  1  0  0  0  0
M  END

$$$$
D01VRB
  -OEChem-10101305022D

 28 30  0     0  0  0  0  0  0999 V2000
    2.8660   -2.7694    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.4793    0.5823    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.3660    2.7694    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.3660    2.7694    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.2306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6750    1.8184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.2306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6261    1.5094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0570    1.8184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 17 28  1  0  0  0  0
M  END

$$$$
D01VSI
  -OEChem-10191522172D

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 93176  1  0  0  0  0
M  END

$$$$
D01VSM
  -OEChem-10101305032D

 37 38  0     0  0  0  0  0  0999 V2000
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 18 36  1  0  0  0  0
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M  END

$$$$
D01VUY
  -OEChem-04152110212D

263267  0     1  0  0  0  0  0999 V2000
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131259  1  0  0  0  0
M  END

$$$$
D01VVM
  -OEChem-10191522462D

 58 62  0     1  0  0  0  0  0999 V2000
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  1  7  1  0  0  0  0
  1 14  1  0  0  0  0
  1 15  1  0  0  0  0
  1 16  2  0  0  0  0
  2 14  1  0  0  0  0
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  3 20  1  0  0  0  0
  3 21  1  0  0  0  0
  3 22  2  0  0  0  0
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  4 33  1  0  0  0  0
  5 31  1  0  0  0  0
  5 35  1  0  0  0  0
  6 36  1  0  0  0  0
  6 38  1  0  0  0  0
  7 42  1  0  0  0  0
  8 24  1  0  0  0  0
  9 24  2  0  0  0  0
 10 25  1  0  0  0  0
 11 25  2  0  0  0  0
 12 27  1  0  0  0  0
 13 27  2  0  0  0  0
 15 57  1  0  0  0  0
 18 58  1  0  0  0  0
 23 36  1  0  0  0  0
 23 41  2  0  0  0  0
 23 44  1  0  0  0  0
 24 32  1  0  0  0  0
 25 34  1  0  0  0  0
 26 43  1  0  0  0  0
 26 44  2  0  0  0  0
 27 40  1  0  0  0  0
 28 41  1  0  0  0  0
 28 46  2  0  0  0  0
 29 45  2  0  0  0  0
 29 46  1  0  0  0  0
 30 45  1  0  0  0  0
 30 55  1  0  0  0  0
 30 56  1  0  0  0  0
 31 32  1  0  0  0  0
 31 34  1  0  0  0  0
 32 37  1  0  0  0  0
 32 47  1  0  0  0  0
 33 35  1  0  0  0  0
 33 36  2  0  0  0  0
 34 39  2  0  0  0  0
 35 38  2  0  0  0  0
 37 40  2  0  0  0  0
 37 48  1  0  0  0  0
 38 42  1  0  0  0  0
 39 40  1  0  0  0  0
 39 49  1  0  0  0  0
 41 43  1  0  0  0  0
 42 50  1  0  0  0  0
 42 51  1  0  0  0  0
 43 45  1  0  0  0  0
 43 52  1  0  0  0  0
 44 53  1  0  0  0  0
 46 54  1  0  0  0  0
M  CHG  8   8  -1  10  -1  12  -1  20  -1  21  -1  23   1  24   1  25   1
M  CHG  1  27   1
M  END

$$$$
D01VXC
  -OEChem-10101305022D

 40 42  0     0  0  0  0  0  0999 V2000
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   10.1042   -1.7869    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3312   -0.9400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1 16  2  0  0  0  0
  2  5  2  0  0  0  0
  2 10  1  0  0  0  0
  3  6  1  0  0  0  0
  3 10  2  0  0  0  0
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  4 29  1  0  0  0  0
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  7 24  1  0  0  0  0
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 11 17  1  0  0  0  0
 11 25  1  0  0  0  0
 12 18  2  0  0  0  0
 12 26  1  0  0  0  0
 13 19  1  0  0  0  0
 13 27  1  0  0  0  0
 14 20  2  0  0  0  0
 14 28  1  0  0  0  0
 15 16  1  0  0  0  0
 15 23  1  0  0  0  0
 15 30  1  0  0  0  0
 15 31  1  0  0  0  0
 17 21  2  0  0  0  0
 17 32  1  0  0  0  0
 18 21  1  0  0  0  0
 18 33  1  0  0  0  0
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 20 22  1  0  0  0  0
 20 35  1  0  0  0  0
 21 36  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
 23 40  1  0  0  0  0
M  END

$$$$
D01VXP
  -OEChem-10101305022D

 38 40  0     1  0  0  0  0  0999 V2000
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    9.0175    0.3950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0213    2.5706    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6238    3.9884    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -3.5784    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.2690   -1.5784    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -3.0784    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.2095    0.9842    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2579    0.6768    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.2112    1.9842    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    3.4030   -0.0784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1 12  1  0  0  0  0
  1 14  1  0  0  0  0
 11  2  1  1  0  0  0
  2 30  1  0  0  0  0
 13  3  1  1  0  0  0
  3 31  1  0  0  0  0
  4 15  1  0  0  0  0
  4 33  1  0  0  0  0
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 12  6  1  6  0  0  0
  6 16  1  0  0  0  0
  6 17  1  0  0  0  0
  7 17  2  0  0  0  0
  7 18  1  0  0  0  0
  8 16  1  0  0  0  0
  8 20  2  0  0  0  0
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 10 19  1  0  0  0  0
 10 34  1  0  0  0  0
 11 12  1  0  0  0  0
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 13 14  1  0  0  0  0
 13 26  1  0  0  0  0
 14 15  1  6  0  0  0
 14 27  1  0  0  0  0
 15 28  1  0  0  0  0
 15 29  1  0  0  0  0
 16 18  2  0  0  0  0
 17 32  1  0  0  0  0
 18 19  1  0  0  0  0
 20 21  1  0  0  0  0
 21 23  3  0  0  0  0
 22 35  1  0  0  0  0
 22 36  1  0  0  0  0
 22 37  1  0  0  0  0
 23 38  1  0  0  0  0
M  END

$$$$
D01VZL
  -OEChem-10191522372D

 50 52  0     0  0  0  0  0  0999 V2000
    3.8660    0.4648    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -4.0352    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7320   -4.0352    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9230    2.5526    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    5.5411    2.5526    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2320    3.5036    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.9954    5.9307    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8660   -0.5352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -1.0352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7320   -1.0352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -2.0352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7320   -2.0352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8660   -3.5352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -5.0352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7320    0.9648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -6.0352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -5.0352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0000   -5.0352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7320    1.9648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2320    3.5036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8198    4.3126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.8144    4.2081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0009    6.0352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.4030   -0.2252    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1  9  1  0  0  0  0
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  2 14  1  0  0  0  0
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 10 12  1  0  0  0  0
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 13 32  1  0  0  0  0
 13 33  1  0  0  0  0
 15 17  1  0  0  0  0
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 16 20  1  0  0  0  0
 16 36  1  0  0  0  0
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 17 44  1  0  0  0  0
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 18 41  1  0  0  0  0
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 18 43  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
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
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 23 47  1  0  0  0  0
 24 26  2  0  0  0  0
 24 48  1  0  0  0  0
 25 49  1  0  0  0  0
 26 50  1  0  0  0  0
M  END

$$$$
D01WAI
  -OEChem-04152109112D

 29 31  0     0  0  0  0  0  0999 V2000
    3.6781   -3.4296    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4657   -0.4363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2245   -0.8285    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0364   -1.3394    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1 14  2  0  0  0  0
  2 17  2  0  0  0  0
  3 11  1  0  0  0  0
  3 14  1  0  0  0  0
  3 23  1  0  0  0  0
  4 12  1  0  0  0  0
  4 16  1  0  0  0  0
  4 25  1  0  0  0  0
  5 13  1  0  0  0  0
  5 18  2  0  0  0  0
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  6 18  1  0  0  0  0
  6 27  1  0  0  0  0
  7 18  1  0  0  0  0
  7 28  1  0  0  0  0
  7 29  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 13  2  0  0  0  0
  9 11  1  0  0  0  0
  9 19  1  0  0  0  0
  9 20  1  0  0  0  0
 10 12  2  0  0  0  0
 10 15  1  0  0  0  0
 11 21  1  0  0  0  0
 11 22  1  0  0  0  0
 12 14  1  0  0  0  0
 13 17  1  0  0  0  0
 15 16  2  0  0  0  0
 15 24  1  0  0  0  0
 16 26  1  0  0  0  0
M  END

$$$$
D01WCA
  -OEChem-10101305032D

 27 29  0     0  0  0  0  0  0999 V2000
    6.0812   -0.8047    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
   10.6648    0.0000    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
    6.6648    0.0000    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
    6.0812    0.8047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6648    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
    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
    8.1648   -0.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1648    0.8660    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
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    4.2690    1.6200    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
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   10.9748   -0.5369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1  6  1  0  0  0  0
  2 11  1  0  0  0  0
  2 26  1  0  0  0  0
  3 17  1  0  0  0  0
  3 27  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  7  2  0  0  0  0
  5  8  1  0  0  0  0
  6 10  1  0  0  0  0
  7 18  1  0  0  0  0
  8 12  2  0  0  0  0
  8 13  1  0  0  0  0
  9 11  2  0  0  0  0
  9 19  1  0  0  0  0
 10 14  2  0  0  0  0
 10 20  1  0  0  0  0
 11 14  1  0  0  0  0
 12 15  1  0  0  0  0
 12 21  1  0  0  0  0
 13 16  2  0  0  0  0
 13 22  1  0  0  0  0
 14 23  1  0  0  0  0
 15 17  2  0  0  0  0
 15 24  1  0  0  0  0
 16 17  1  0  0  0  0
 16 25  1  0  0  0  0
M  END

$$$$
D01WDB
  -OEChem-10101305022D

 76 78  0     1  0  0  0  0  0999 V2000
    9.7942    0.0600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603   -0.4400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    2.5600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.5600    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.8660    4.0600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5263    1.0600    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    1.5600    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.2583    0.0600    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    1.0600    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -1.9400    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -3.4400    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -3.4400    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    3.0600    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   10.6603    1.5600    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.6603    2.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5263    3.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3923    1.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3923    2.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942    1.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5263    0.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3923   -0.4400    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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   12.3923   -1.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.2583   -1.9400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.2583   -2.9400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.6603    0.9400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   10.0497    2.4523    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9248    3.5350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1278    3.5350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   12.3923    0.1800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    2.1800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   11.7817   -1.3323    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.1803   -2.0226    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2742   -0.5226    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6728    0.1677    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9841    0.1426    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5856   -0.5477    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.7953   -0.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.2583    0.6800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    7.8067   -1.3323    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.4400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.7214   -3.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   14.1244   -4.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   15.5273   -3.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    7.1962   -4.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1 19  2  0  0  0  0
  2 20  2  0  0  0  0
  3 26  2  0  0  0  0
  4 13  1  0  0  0  0
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  6 14  1  0  0  0  0
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  6 20  1  0  0  0  0
  7 19  1  0  0  0  0
 22  7  1  1  0  0  0
  7 51  1  0  0  0  0
 21  8  1  6  0  0  0
  8 59  1  0  0  0  0
  8 60  1  0  0  0  0
  9 26  1  0  0  0  0
  9 31  1  0  0  0  0
  9 63  1  0  0  0  0
 10 28  1  0  0  0  0
 10 37  2  0  0  0  0
 11 37  1  0  0  0  0
 11 73  1  0  0  0  0
 11 76  1  0  0  0  0
 12 37  1  0  0  0  0
 12 74  1  0  0  0  0
 12 75  1  0  0  0  0
 13 40  1  0  0  0  0
 14 15  1  0  0  0  0
 14 19  1  6  0  0  0
 14 41  1  0  0  0  0
 15 16  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 44  1  0  0  0  0
 16 45  1  0  0  0  0
 17 18  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
 20 21  1  0  0  0  0
 21 23  1  0  0  0  0
 21 50  1  0  0  0  0
 22 24  1  0  0  0  0
 22 26  1  0  0  0  0
 22 52  1  0  0  0  0
 23 27  1  0  0  0  0
 23 53  1  0  0  0  0
 23 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  1  0  0  0  0
 25 57  1  0  0  0  0
 25 58  1  0  0  0  0
 27 29  2  0  0  0  0
 27 30  1  0  0  0  0
 28 61  1  0  0  0  0
 28 62  1  0  0  0  0
 29 32  1  0  0  0  0
 29 64  1  0  0  0  0
 30 33  2  0  0  0  0
 30 65  1  0  0  0  0
 31 35  2  0  0  0  0
 31 36  1  0  0  0  0
 32 34  2  0  0  0  0
 32 66  1  0  0  0  0
 33 34  1  0  0  0  0
 33 67  1  0  0  0  0
 34 68  1  0  0  0  0
 35 38  1  0  0  0  0
 35 69  1  0  0  0  0
 36 39  2  0  0  0  0
 36 70  1  0  0  0  0
 38 40  2  0  0  0  0
 38 71  1  0  0  0  0
 39 40  1  0  0  0  0
 39 72  1  0  0  0  0
M  CHG  2   4  -1  13   1
M  END

$$$$
D01WDI
  -OEChem-04152109082D

 33 34  0     0  0  0  0  0  0999 V2000
    7.4916    3.6347    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.2018    4.1200    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0678    5.6200    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2018    7.1200    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0678    3.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3358    5.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2018    5.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0678    2.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3358    6.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4418    5.0853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2018    2.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9338    2.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4418    7.1547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5357    5.5992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5357    6.6408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2018    1.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9338    1.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0678    6.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0678    0.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.4708    2.4300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4490    7.7746    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.2871    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.9529    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6648    0.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.0678    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4916    3.6347    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 33  1  0  0  0  0
  2  5  1  0  0  0  0
  2  7  1  0  0  0  0
  2 22  1  0  0  0  0
  3  7  2  0  0  0  0
  3 18  1  0  0  0  0
  4  9  1  0  0  0  0
  4 18  2  0  0  0  0
  5  8  1  0  0  0  0
  5 20  1  0  0  0  0
  5 21  1  0  0  0  0
  6  7  1  0  0  0  0
  6  9  1  0  0  0  0
  6 10  2  0  0  0  0
  8 11  2  0  0  0  0
  8 12  1  0  0  0  0
  9 13  2  0  0  0  0
 10 14  1  0  0  0  0
 10 23  1  0  0  0  0
 11 16  1  0  0  0  0
 11 24  1  0  0  0  0
 12 17  2  0  0  0  0
 12 25  1  0  0  0  0
 13 15  1  0  0  0  0
 13 26  1  0  0  0  0
 14 15  2  0  0  0  0
 14 27  1  0  0  0  0
 15 28  1  0  0  0  0
 16 19  2  0  0  0  0
 16 29  1  0  0  0  0
 17 19  1  0  0  0  0
 17 30  1  0  0  0  0
 18 31  1  0  0  0  0
 19 32  1  0  0  0  0
M  END

$$$$
D01WDS
  -OEChem-10101305022D

 49 52  0     0  0  0  0  0  0999 V2000
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   10.6603    2.0427    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.9573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.0427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.4573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END

$$$$
D01WHI
  -OEChem-04152109342D

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M  END

$$$$
D01WIH
  -OEChem-10101305032D

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 12 16  2  0  0  0  0
 12 21  1  0  0  0  0
 13 22  1  0  0  0  0
 14 23  1  0  0  0  0
 15 17  2  0  0  0  0
 15 24  1  0  0  0  0
 16 17  1  0  0  0  0
 16 25  1  0  0  0  0
M  END

$$$$
D01WKR
  -OEChem-10191522072D

 25 24  0     1  0  0  0  0  0999 V2000
    7.0420   -0.4330    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1760    1.0670    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100    1.2990    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8100    2.1651    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4440   -0.9330    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3100   -0.4330    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8100    0.4330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8100   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8100    0.4330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1760    0.0670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3100   -2.1651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3100    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3926    0.6451    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7023    1.0436    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2850   -1.6976    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2850   -0.9005    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2274    0.2210    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9177   -0.1776    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9070   -0.6230    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4440   -1.5530    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7731   -1.8551    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000   -2.7020    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8469   -2.4751    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5790   -0.1230    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.8360    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
  1 24  1  0  0  0  0
  2 10  2  0  0  0  0
  3 12  1  0  0  0  0
  3 25  1  0  0  0  0
  4 12  2  0  0  0  0
  6  5  1  1  0  0  0
  5 19  1  0  0  0  0
  5 20  1  0  0  0  0
  6  7  1  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
  7 13  1  0  0  0  0
  7 14  1  0  0  0  0
  8 11  1  0  0  0  0
  8 15  1  0  0  0  0
  8 16  1  0  0  0  0
  9 12  1  0  0  0  0
  9 17  1  0  0  0  0
  9 18  1  0  0  0  0
 11 21  1  0  0  0  0
 11 22  1  0  0  0  0
 11 23  1  0  0  0  0
M  END

$$$$
D01WLL
  -OEChem-10101305022D

 30 31  0     0  0  0  0  0  0999 V2000
    7.1962    1.3170    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.1830    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.6962    2.1830    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6962    0.4510    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.8170    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -2.1830    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
    5.4641   -0.6830    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
    8.0622    1.8170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.6830    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
    7.1962   -1.6830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.1830    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
    2.0000   -0.6830    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
    2.0000   -1.6830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7932    1.1270    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331   -0.3730    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3722    1.2800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991    2.1270    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7522    2.3539    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9272   -1.9930    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331   -1.9930    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.4370    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -1.9930    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -0.3730    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.8030    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -1.9930    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  5  1  0  0  0  0
  1 10  1  0  0  0  0
  2  8  1  0  0  0  0
  2 11  1  0  0  0  0
  5  7  1  0  0  0  0
  5 19  1  0  0  0  0
  6 12  2  0  0  0  0
  6 13  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  8 12  1  0  0  0  0
  9 13  2  0  0  0  0
  9 20  1  0  0  0  0
 10 21  1  0  0  0  0
 10 22  1  0  0  0  0
 10 23  1  0  0  0  0
 11 14  2  0  0  0  0
 11 15  1  0  0  0  0
 12 24  1  0  0  0  0
 13 25  1  0  0  0  0
 14 16  1  0  0  0  0
 14 26  1  0  0  0  0
 15 17  2  0  0  0  0
 15 27  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

$$$$
D01WMU
  -OEChem-10101305032D

 57 60  0     0  0  0  0  0  0999 V2000
    4.0981    2.0670    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.7990    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.2010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.7010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.7010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.7990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0981    2.0670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -2.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0981    2.0670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.9330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.7990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -3.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -1.7990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5981    2.9330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0981    3.7990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -3.7990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -3.7990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.7990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.7990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -2.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0981    3.7990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -3.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5200    1.2836    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1215    0.5933    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0747    0.5933    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6762    1.2836    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1215   -0.1914    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5200   -0.8816    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6762   -0.8816    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0747   -0.1914    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0611   -1.4890    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4781    2.0670    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4081    1.5300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9781    2.9330    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -3.6090    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -1.1790    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2181    2.9330    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7881    4.3360    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -1.9890    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -4.4190    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2881   -3.2621    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4860   -0.7990    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0611   -4.1090    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8660   -0.1790    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2460   -0.7990    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -4.4190    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    6.4081    4.3360    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -3.6090    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331   -3.6090    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1 38  1  0  0  0  0
  2  6  1  0  0  0  0
  2  7  1  0  0  0  0
  2  8  1  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  6  1  0  0  0  0
  4 29  1  0  0  0  0
  4 30  1  0  0  0  0
  5  7  1  0  0  0  0
  5 31  1  0  0  0  0
  5 32  1  0  0  0  0
  6 33  1  0  0  0  0
  6 34  1  0  0  0  0
  7 35  1  0  0  0  0
  7 36  1  0  0  0  0
  8 10  1  0  0  0  0
  8 11  1  0  0  0  0
  8 37  1  0  0  0  0
  9 12  2  0  0  0  0
  9 13  1  0  0  0  0
 10 14  1  0  0  0  0
 10 16  2  0  0  0  0
 11 15  1  0  0  0  0
 11 17  2  0  0  0  0
 12 18  1  0  0  0  0
 12 39  1  0  0  0  0
 13 19  2  0  0  0  0
 13 40  1  0  0  0  0
 14 20  2  0  0  0  0
 14 23  1  0  0  0  0
 15 21  2  0  0  0  0
 15 22  1  0  0  0  0
 16 24  1  0  0  0  0
 16 41  1  0  0  0  0
 17 25  1  0  0  0  0
 17 42  1  0  0  0  0
 18 26  2  0  0  0  0
 18 43  1  0  0  0  0
 19 26  1  0  0  0  0
 19 44  1  0  0  0  0
 20 27  1  0  0  0  0
 20 45  1  0  0  0  0
 21 28  1  0  0  0  0
 21 46  1  0  0  0  0
 22 47  1  0  0  0  0
 22 49  1  0  0  0  0
 22 50  1  0  0  0  0
 23 48  1  0  0  0  0
 23 51  1  0  0  0  0
 23 52  1  0  0  0  0
 24 27  2  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 55  1  0  0  0  0
 27 56  1  0  0  0  0
 28 57  1  0  0  0  0
M  END

$$$$
D01WNA
  -OEChem-10101305032D

 21 22  0     0  0  0  0  0  0999 V2000
    6.2619   -0.1743    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.6783   -0.9790    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783    0.6305    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.1743    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.3257    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.8257    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.6743    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9889   -1.9295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.3257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2619   -0.1743    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9674   -2.1357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.8257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.6743    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3751   -2.0169    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9684   -2.5492    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8396   -2.7424    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5741   -2.2636    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0953   -1.5291    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -0.9843    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291    2.1357    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    2.1357    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
  2  7  1  0  0  0  0
  2  8  1  0  0  0  0
  2 10  1  0  0  0  0
  3  9  1  0  0  0  0
  3 10  2  0  0  0  0
  4  7  2  0  0  0  0
  4 13  1  0  0  0  0
  5 12  1  0  0  0  0
  5 13  2  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  9  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 12  2  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
 13 19  1  0  0  0  0
M  END

$$$$
D01WNO
  -OEChem-10101305022D

 25 27  0     0  0  0  0  0  0999 V2000
    2.0000   -1.4303    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.3717   -0.1085    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3991    0.3061    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6808    0.8425    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 13 14  1  0  0  0  0
 14 25  1  0  0  0  0
M  END

$$$$
D01WPJ
  -OEChem-10101305032D

 24 24  0     0  0  0  0  0  0999 V2000
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  1  7  2  0  0  0  0
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 11 21  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
M  END

$$$$
D01WQF
  -OEChem-10191522092D

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 48 92  1  0  0  0  0
 49 50  1  0  0  0  0
 49 94  1  0  0  0  0
 49 95  1  0  0  0  0
 50 52  1  0  0  0  0
 50 96  1  0  0  0  0
 50 97  1  0  0  0  0
M  END

$$$$
D01WQL
          04121100362D 1   1.00000     0.00000     0

 35 38  0     0  0            999 V2000
    3.1042   -4.4167    0.0000 C   0  0  0  0  0  0           0  0  0
    3.8167   -4.8375    0.0000 C   0  0  0  0  0  0           0  0  0
    2.3917   -4.8375    0.0000 N   0  0  3  0  0  0           0  0  0
    3.1042   -6.0667    0.0000 N   0  0  0  0  0  0           0  0  0
    2.3917   -5.6625    0.0000 C   0  0  0  0  0  0           0  0  0
    3.8167   -5.6542    0.0000 C   0  0  0  0  0  0           0  0  0
    5.2375   -4.8292    0.0000 C   0  0  0  0  0  0           0  0  0
    4.5250   -4.4250    0.0000 C   0  0  0  0  0  0           0  0  0
    4.5292   -6.0667    0.0000 C   0  0  0  0  0  0           0  0  0
    9.5167   -3.1667    0.0000 C   0  0  0  0  0  0           0  0  0
    5.2417   -5.6542    0.0000 C   0  0  0  0  0  0           0  0  0
    5.9500   -4.4167    0.0000 C   0  0  0  0  0  0           0  0  0
    6.6667   -4.8292    0.0000 N   0  0  3  0  0  0           0  0  0
    7.3792   -6.0625    0.0000 C   0  0  0  0  0  0           0  0  0
    8.1000   -6.4750    0.0000 C   0  0  0  0  0  0           0  0  0
   10.2292   -3.5792    0.0000 N   0  0  0  0  0  0           0  0  0
    3.1042   -3.5917    0.0000 O   0  0  0  0  0  0           0  0  0
    8.8042   -3.5792    0.0000 C   0  0  0  0  0  0           0  0  0
    7.3792   -4.4125    0.0000 C   0  0  0  0  0  0           0  0  0
    9.5125   -2.3417    0.0000 O   0  0  0  0  0  0           0  0  0
   12.3750   -4.8042    0.0000 N   0  0  0  0  0  0           0  0  0
    8.8042   -4.4042    0.0000 C   0  0  0  0  0  0           0  0  0
    8.0792   -3.1750    0.0000 C   0  0  0  0  0  0           0  0  0
    8.0917   -4.8250    0.0000 C   0  0  0  0  0  0           0  0  0
    7.3750   -3.5917    0.0000 C   0  0  0  0  0  0           0  0  0
   11.6625   -3.5667    0.0000 C   0  0  0  0  0  0           0  0  0
   10.9417   -3.1625    0.0000 C   0  0  0  0  0  0           0  0  0
    1.6792   -4.4250    0.0000 C   0  0  0  0  0  0           0  0  0
    5.9542   -6.0667    0.0000 Cl  0  0  0  0  0  0           0  0  0
    6.6667   -5.6542    0.0000 C   0  0  0  0  0  0           0  0  0
    1.6792   -6.0750    0.0000 C   0  0  0  0  0  0           0  0  0
   11.6625   -4.3917    0.0000 C   0  0  0  0  0  0           0  0  0
   13.0917   -4.3792    0.0000 C   0  0  0  0  0  0           0  0  0
   12.3667   -3.1542    0.0000 C   0  0  0  0  0  0           0  0  0
   13.0792   -3.5542    0.0000 C   0  0  0  0  0  0           0  0  0
  2  1  1  0     0  0
  3  1  1  0     0  0
  4  5  2  0     0  0
  5  3  1  0     0  0
  6  2  2  0     0  0
  7  8  2  0     0  0
  8  2  1  0     0  0
  9  6  1  0     0  0
 10 18  1  0     0  0
 11  7  1  0     0  0
 12  7  1  0     0  0
 13 12  1  0     0  0
 14 30  1  0     0  0
 15 14  3  0     0  0
 16 10  1  0     0  0
 17  1  2  0     0  0
 18 23  1  0     0  0
 19 13  1  0     0  0
 20 10  2  0     0  0
 21 32  1  0     0  0
 22 24  1  0     0  0
 23 25  2  0     0  0
 24 19  2  0     0  0
 25 19  1  0     0  0
 26 27  1  0     0  0
 27 16  1  0     0  0
 28  3  1  0     0  0
 29 11  1  0     0  0
 30 13  1  0     0  0
 31  5  1  0     0  0
 32 26  2  0     0  0
 33 35  1  0     0  0
 34 26  1  0     0  0
 35 34  2  0     0  0
  6  4  1  0     0  0
 11  9  2  0     0  0
 18 22  2  0     0  0
 33 21  2  0     0  0
M  END

$$$$
D01WRT
  -OEChem-10101305022D

 44 47  0     0  0  0  0  0  0999 V2000
   12.5521    2.6441    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   12.9188    0.9513    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5274    0.8054    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3991   -2.0552    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0321   -0.1071    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.3374    0.8451    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.2468    1.6918    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    5.3364    0.2176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0274   -0.7334    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7183    0.2176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0274   -0.7334    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5274    1.8054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3518    0.4499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7123   -1.5182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7029    0.4499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3424   -1.5182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7328   -1.3094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0547   -0.3188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6613    2.3054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.3188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3219   -1.3094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3148    1.0568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9867    0.3162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6201    2.0090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2694    1.4802    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9641    0.5279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5974    2.2207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1379    1.6978    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7394    2.3880    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5365    1.0417    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5139   -2.1056    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5182    1.0417    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5408   -2.1056    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9713    2.8424    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1244    2.6154    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3513    1.7685    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3940   -0.1876    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9088   -1.7718    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2052   -2.6441    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0060   -1.9286    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7974   -0.2741    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2035    2.4682    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3807    0.0688    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7867    2.8111    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  2  7  2  0  0  0  0
  3  8  1  0  0  0  0
  3 10  1  0  0  0  0
  3 12  1  0  0  0  0
  4 17  1  0  0  0  0
  4 39  1  0  0  0  0
  4 40  1  0  0  0  0
  5  6  2  0  0  0  0
  5 18  1  0  0  0  0
  6 22  1  0  0  0  0
  7 25  1  0  0  0  0
  8  9  1  0  0  0  0
  8 13  2  0  0  0  0
  9 11  1  0  0  0  0
  9 14  2  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
 12 19  1  0  0  0  0
 12 28  1  0  0  0  0
 12 29  1  0  0  0  0
 13 18  1  0  0  0  0
 13 30  1  0  0  0  0
 14 17  1  0  0  0  0
 14 31  1  0  0  0  0
 15 20  1  0  0  0  0
 15 32  1  0  0  0  0
 16 21  1  0  0  0  0
 16 33  1  0  0  0  0
 17 18  2  0  0  0  0
 19 34  1  0  0  0  0
 19 35  1  0  0  0  0
 19 36  1  0  0  0  0
 20 21  2  0  0  0  0
 20 37  1  0  0  0  0
 21 38  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 26  2  0  0  0  0
 25 27  1  0  0  0  0
 26 43  1  0  0  0  0
 27 44  1  0  0  0  0
M  CHG  2   1  -1   7   1
M  END

$$$$
D01WTQ
  -OEChem-10101305032D

 54 57  0     0  0  0  0  0  0999 V2000
    9.9953   -2.2829    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981   -2.2052    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1465    0.8294    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8680   -0.1810    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981    0.7948    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8680   -2.2293    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9391   -1.7477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0641   -0.6844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0641   -1.7260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641   -0.7052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5320   -0.7052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641   -1.7052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1580   -0.1705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9391   -0.6627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6381   -0.1705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981   -0.2052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1580   -2.2398    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5320   -1.7052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9953   -0.1274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9390   -1.7515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4357   -2.6156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6497    0.8294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.6844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6381   -2.2398    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.7260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7895    1.3394    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8010    2.3393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9409    2.8493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6728    2.8293    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.6777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4748   -0.3506    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1509   -2.8598    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9881    0.4925    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9367   -2.3715    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.5590   -1.7539    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9414   -1.1315    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8976   -2.9235    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7436   -3.1537    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9738   -2.3077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2590    0.7147    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8684    1.4095    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6453   -2.8598    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2490    1.0356    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6798    1.1456    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8703   -2.8493    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2570    3.3826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9766    2.2888    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2133    3.1331    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3690    3.3698    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4075    3.1655    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6247    2.3160    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6921   -0.1396    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4619   -0.9856    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3079   -1.2158    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
  2 12  1  0  0  0  0
  2 18  1  0  0  0  0
  3 13  1  0  0  0  0
  3 44  1  0  0  0  0
  4 23  1  0  0  0  0
  4 30  1  0  0  0  0
  5 16  2  0  0  0  0
  6 25  1  0  0  0  0
  6 45  1  0  0  0  0
  7 14  1  0  0  0  0
  7 20  1  0  0  0  0
  7 21  1  0  0  0  0
  8  9  2  0  0  0  0
  8 13  1  0  0  0  0
  8 19  1  0  0  0  0
  9 17  1  0  0  0  0
 10 12  1  0  0  0  0
 10 13  2  0  0  0  0
 10 16  1  0  0  0  0
 11 15  1  0  0  0  0
 11 16  1  0  0  0  0
 11 18  2  0  0  0  0
 12 17  2  0  0  0  0
 14 19  2  0  0  0  0
 14 31  1  0  0  0  0
 15 22  1  0  0  0  0
 15 23  2  0  0  0  0
 17 32  1  0  0  0  0
 18 24  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
 21 37  1  0  0  0  0
 21 38  1  0  0  0  0
 21 39  1  0  0  0  0
 22 26  1  0  0  0  0
 22 40  1  0  0  0  0
 22 41  1  0  0  0  0
 23 25  1  0  0  0  0
 24 25  2  0  0  0  0
 24 42  1  0  0  0  0
 26 27  2  0  0  0  0
 26 43  1  0  0  0  0
 27 28  1  0  0  0  0
 27 29  1  0  0  0  0
 28 46  1  0  0  0  0
 28 50  1  0  0  0  0
 28 51  1  0  0  0  0
 29 47  1  0  0  0  0
 29 48  1  0  0  0  0
 29 49  1  0  0  0  0
 30 52  1  0  0  0  0
 30 53  1  0  0  0  0
 30 54  1  0  0  0  0
M  END

$$$$
D01WVE
  -OEChem-10191522162D

 38 40  0     0  0  0  0  0  0999 V2000
    7.5673    2.1611    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
    8.2816   -1.2285    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783   -2.7123    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9030    0.6725    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5028    2.7798    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8600    1.0849    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783   -1.1029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9889   -0.1524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.4076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2619   -1.9076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.4076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 23 36  1  0  0  0  0
 23 37  1  0  0  0  0
M  END

$$$$
D01WVV
  -OEChem-10191521212D

 73 76  0     1  0  0  0  0  0999 V2000
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M  ISO  1   1  35
M  END

$$$$
D01WWC
  -OEChem-10101305022D

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 25 46  1  0  0  0  0
 25 47  1  0  0  0  0
 25 48  1  0  0  0  0
M  END

$$$$
D01WWK
  -OEChem-10191521172D

 54 53  0     0  0  0  0  0  0999 V2000
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 24 52  1  0  0  0  0
 24 53  1  0  0  0  0
 24 54  1  0  0  0  0
M  END

$$$$
D01WWO
  -OEChem-10191522242D

 56 58  0     0  0  0  0  0  0999 V2000
    6.3301    4.2500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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 34 35  2  0  0  0  0
 34 55  1  0  0  0  0
 35 56  1  0  0  0  0
M  END

$$$$
D01WXA
  -OEChem-10191522462D

 65 65  0     0  0  0  0  0  0999 V2000
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 21 55  1  0  0  0  0
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 26 57  1  0  0  0  0
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 27 60  1  0  0  0  0
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 27 62  1  0  0  0  0
 28 63  1  0  0  0  0
 28 64  1  0  0  0  0
 28 65  1  0  0  0  0
M  END

$$$$
D01WXB
  -OEChem-10101305032D

 14 13  0     1  0  0  0  0  0999 V2000
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  1  5  1  0  0  0  0
  1 13  1  0  0  0  0
  2  4  1  0  0  0  0
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  3  6  1  0  0  0  0
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  5  9  1  0  0  0  0
  6 10  1  0  0  0  0
  6 11  1  0  0  0  0
M  END

$$$$
D01WXR
  -OEChem-10101305022D

 37 39  0     0  0  0  0  0  0999 V2000
    8.0622   -0.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.2500    0.0000 N   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
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    5.4641    0.2500    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
    5.4641    1.2500    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   -1.2500    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
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 22 35  1  0  0  0  0
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 22 37  1  0  0  0  0
M  END

$$$$
D01WXV
  -OEChem-10101305022D

 44 46  0     0  0  0  0  0  0999 V2000
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  1  7  1  0  0  0  0
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 23 43  1  0  0  0  0
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M  END

$$$$
D01WXZ
  -OEChem-10191521282D

 56 56  0     1  0  0  0  0  0999 V2000
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 17 41  1  0  0  0  0
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 19 21  1  0  0  0  0
 19 44  1  0  0  0  0
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 22 53  1  0  0  0  0
 23 24  1  0  0  0  0
 23 54  1  0  0  0  0
 23 55  1  0  0  0  0
M  END

$$$$
D01WYI
  -OEChem-10101305032D

 39 41  0     0  0  0  0  0  0999 V2000
    3.7320    2.5099    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0785   -0.0247    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.9962    1.4891    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0901    3.0445    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.0099    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    7.1962    2.5099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    1.0099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9387   -0.5347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1 21  2  0  0  0  0
  2  7  1  0  0  0  0
  2 10  1  0  0  0  0
  2 25  1  0  0  0  0
  3  7  2  0  0  0  0
  3 19  1  0  0  0  0
  4  8  1  0  0  0  0
  4 19  2  0  0  0  0
  5 11  1  0  0  0  0
  5 21  1  0  0  0  0
  5 32  1  0  0  0  0
  6  7  1  0  0  0  0
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  6  9  1  0  0  0  0
  8 12  1  0  0  0  0
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 10 14  1  0  0  0  0
 10 16  2  0  0  0  0
 11 13  1  0  0  0  0
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 22 37  1  0  0  0  0
 23 38  1  0  0  0  0
 23 39  1  0  0  0  0
M  END

$$$$
D01XBZ
  -OEChem-04152109552D

 26 25  0     1  0  0  0  0  0999 V2000
    6.3301   -0.2685    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
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  1  3  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
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  2  9  2  0  0  0  0
  3 10  1  0  0  0  0
  5 24  1  0  0  0  0
  7 25  1  0  0  0  0
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 10 12  1  0  0  0  0
 10 15  1  0  0  0  0
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 11 12  2  0  0  0  0
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 13 18  1  0  0  0  0
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 13 20  1  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
M  END

$$$$
D01XCA
  -OEChem-10101305022D

 44 46  0     1  0  0  0  0  0999 V2000
    4.5981    0.6550    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0010   -2.1550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0611   -3.6550    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  5  1  0  0  0  0
  1 13  1  0  0  0  0
  4 23  1  0  0  0  0
  4 44  1  0  0  0  0
  5  6  1  0  0  0  0
  5 12  1  0  0  0  0
  6  7  1  0  0  0  0
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  6 24  1  0  0  0  0
  7  9  1  0  0  0  0
  7 26  1  0  0  0  0
  7 27  1  0  0  0  0
  8 10  1  0  0  0  0
  8 25  1  0  0  0  0
  8 28  1  0  0  0  0
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 10 11  1  0  0  0  0
 10 31  1  0  0  0  0
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 11 33  1  0  0  0  0
 11 34  1  0  0  0  0
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 13 16  2  0  0  0  0
 13 17  1  0  0  0  0
 14 18  1  0  0  0  0
 14 35  1  0  0  0  0
 15 19  2  0  0  0  0
 15 36  1  0  0  0  0
 16 21  1  0  0  0  0
 16 37  1  0  0  0  0
 17 22  2  0  0  0  0
 17 38  1  0  0  0  0
 18 20  2  0  0  0  0
 18 39  1  0  0  0  0
 19 20  1  0  0  0  0
 19 40  1  0  0  0  0
 20 41  1  0  0  0  0
 21 23  2  0  0  0  0
 21 42  1  0  0  0  0
 22 23  1  0  0  0  0
 22 43  1  0  0  0  0
M  END

$$$$
D01XDV
  -OEChem-10101305022D

 40 42  0     0  0  0  0  0  0999 V2000
    5.4804   -0.5174    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.5172    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.5172    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4573   -2.5173    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4920    2.5519    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.0172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.0172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4920    0.4825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.5172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.0172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.5172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    2.0172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981    0.9964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3406   -1.0274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981    2.0380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3291   -2.0273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.1893   -2.5373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.0610   -2.0473    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.4828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    3.5172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4458   -3.5172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.1028    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    6.9338    0.6843    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    5.4386   -4.1372    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0657   -3.5244    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
  1 14  1  0  0  0  0
  2 10  1  0  0  0  0
  2 21  1  0  0  0  0
  3 12  1  0  0  0  0
  3 22  1  0  0  0  0
  4 16  1  0  0  0  0
  4 23  1  0  0  0  0
  5  7  2  0  0  0  0
  5 15  1  0  0  0  0
  6  7  1  0  0  0  0
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  6  9  1  0  0  0  0
  7 11  1  0  0  0  0
  8 13  1  0  0  0  0
  9 10  2  0  0  0  0
  9 24  1  0  0  0  0
 10 12  1  0  0  0  0
 11 12  2  0  0  0  0
 11 25  1  0  0  0  0
 13 15  2  0  0  0  0
 13 26  1  0  0  0  0
 14 16  1  0  0  0  0
 14 17  2  0  0  0  0
 15 27  1  0  0  0  0
 16 18  2  0  0  0  0
 17 19  1  0  0  0  0
 17 28  1  0  0  0  0
 18 20  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
 21 32  1  0  0  0  0
 21 33  1  0  0  0  0
 21 34  1  0  0  0  0
 22 35  1  0  0  0  0
 22 36  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
 23 40  1  0  0  0  0
M  END

$$$$
D01XEY
  -OEChem-10101305022D

 23 23  0     1  0  0  0  0  0999 V2000
    4.2690   -1.3450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    1.6550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    0.6550    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
    2.5369   -1.3450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.6550    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.1350    0.1550    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.4030    0.1550    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.1350   -0.8450    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.4030   -0.8450    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0010   -1.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8059    0.9650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    3.4030    0.7750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    6.5380   -1.6550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8059    1.9650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0000    0.3450    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
  1  9  1  0  0  0  0
  1 10  1  0  0  0  0
  6  2  1  1  0  0  0
  2 20  1  0  0  0  0
  7  3  1  1  0  0  0
  3 21  1  0  0  0  0
  8  4  1  6  0  0  0
  4 22  1  0  0  0  0
 10  5  1  6  0  0  0
  5 23  1  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 13  1  0  0  0  0
  8 10  1  0  0  0  0
  8 14  1  0  0  0  0
  9 11  1  1  0  0  0
  9 15  1  0  0  0  0
 10 16  1  0  0  0  0
 11 17  1  0  0  0  0
 11 18  1  0  0  0  0
 11 19  1  0  0  0  0
M  END

$$$$
D01XFH
  -OEChem-10101305022D

 26 26  0     0  0  0  0  0  0999 V2000
    5.1350    2.7500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.1350    2.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1350    2.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -1.7500    0.0000 O   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    3.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    5.1350   -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
    6.0010    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
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    2.5369   -3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 10 12  2  0  0  0  0
 10 18  1  0  0  0  0
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 14 15  1  0  0  0  0
 14 24  1  0  0  0  0
 14 25  1  0  0  0  0
 15 16  3  0  0  0  0
 16 26  1  0  0  0  0
M  END

$$$$
D01XFR
  -OEChem-10101305022D

 40 41  0     0  0  0  0  0  0999 V2000
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    3.7320    1.2940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0000    1.2940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1 10  2  0  0  0  0
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  3  8  1  0  0  0  0
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  5 16  1  0  0  0  0
  6  8  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
  9 13  1  0  0  0  0
  9 21  1  0  0  0  0
  9 22  1  0  0  0  0
 12 14  1  0  0  0  0
 12 23  1  0  0  0  0
 12 24  1  0  0  0  0
 13 17  1  0  0  0  0
 13 25  1  0  0  0  0
 13 26  1  0  0  0  0
 14 18  1  0  0  0  0
 14 27  1  0  0  0  0
 14 28  1  0  0  0  0
 15 29  1  0  0  0  0
 16 19  1  0  0  0  0
 16 30  1  0  0  0  0
 16 31  1  0  0  0  0
 17 32  1  0  0  0  0
 17 33  1  0  0  0  0
 17 34  1  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 20  2  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
M  END

$$$$
D01XFT
  -OEChem-10101305022D

 50 52  0     1  0  0  0  0  0999 V2000
    6.2781   -0.3034    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783   -2.4106    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783   -4.0201    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.2154    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.7154    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -5.2154    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9889   -1.4601    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.3211   -0.7158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6318    0.2347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9674   -1.2539    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.9639    0.9790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2746    1.9295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.7154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6353   -1.9982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2619   -3.2154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6067    2.6738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.7154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9174    3.6243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -4.2154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8959    3.8306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2496    4.3686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.7154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2066    4.7811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5602    5.3192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5387    5.5254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3823   -1.5880    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7742   -0.4238    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9385   -1.2037    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    3.5814    0.4911    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8215    1.6375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6571    2.4174    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1738   -2.4123    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0494   -2.4597    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0968   -1.5842    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0598    2.9658    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2242    2.1859    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8819   -3.2154    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8848   -0.1755    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3100    3.3691    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6429    4.2408    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -2.4054    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -5.5254    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -5.5254    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8132    4.9089    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1461    5.7806    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7313    6.1147    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
 10  1  1  1  0  0  0
  1 42  1  0  0  0  0
  2  7  1  0  0  0  0
  2 13  1  0  0  0  0
  2 15  1  0  0  0  0
  3 15  2  0  0  0  0
  3 17  1  0  0  0  0
  4 13  1  0  0  0  0
  4 22  2  0  0  0  0
  5 19  2  0  0  0  0
  5 22  1  0  0  0  0
  6 19  1  0  0  0  0
  6 46  1  0  0  0  0
  6 47  1  0  0  0  0
  7  8  1  6  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
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  9 30  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 32  1  0  0  0  0
 11 33  1  0  0  0  0
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 12 35  1  0  0  0  0
 13 17  2  0  0  0  0
 14 36  1  0  0  0  0
 14 37  1  0  0  0  0
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 15 41  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 19  1  0  0  0  0
 18 20  2  0  0  0  0
 18 21  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 45  1  0  0  0  0
 23 25  2  0  0  0  0
 23 48  1  0  0  0  0
 24 25  1  0  0  0  0
 24 49  1  0  0  0  0
 25 50  1  0  0  0  0
M  END

$$$$
D01XGG
  -OEChem-10101305032D

 36 38  0     0  0  0  0  0  0999 V2000
    4.6783   -1.5547    0.0000 O   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
    6.2619   -2.4820    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2619   -0.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.2500    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
    4.6783    0.0547    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
    2.8660   -1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2619   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -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
    2.0000    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.7500    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
    6.7619   -1.6160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7619   -1.6160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8709    0.6441    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
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    4.2690    1.4400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    6.5719   -0.2131    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    3.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    3.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    3.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -2.7131    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.3100   -3.7869    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7619   -2.2360    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3819   -1.6160    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7619   -0.9960    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1 12  1  0  0  0  0
  2 10  1  0  0  0  0
  2 20  1  0  0  0  0
  3 19  2  0  0  0  0
  4 12  1  0  0  0  0
  4 19  1  0  0  0  0
  4 27  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  9  1  0  0  0  0
  6 11  1  0  0  0  0
  7 10  2  0  0  0  0
  8 12  2  0  0  0  0
  8 22  1  0  0  0  0
  9 14  2  0  0  0  0
  9 15  1  0  0  0  0
 10 13  1  0  0  0  0
 11 13  2  0  0  0  0
 11 23  1  0  0  0  0
 13 24  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
 19 21  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 34  1  0  0  0  0
 21 35  1  0  0  0  0
 21 36  1  0  0  0  0
M  END

$$$$
D01XGP
  -OEChem-10101305022D

 17 18  0     0  0  0  0  0  0999 V2000
    6.2619   -0.3776    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9889    1.3776    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.8776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783   -1.1824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.1224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2619   -0.3776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783    0.4271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.3776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.6224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.8776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.1224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4272   -1.7493    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2156   -1.4916    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.9976    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.2424    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -1.1876    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    0.4324    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  2  0  0  0  0
  2  7  2  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3  8  2  0  0  0  0
  4  6  1  0  0  0  0
  4 12  1  0  0  0  0
  4 13  1  0  0  0  0
  5  7  1  0  0  0  0
  5  9  2  0  0  0  0
  6  7  1  0  0  0  0
  8 10  1  0  0  0  0
  8 14  1  0  0  0  0
  9 11  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
M  END

$$$$
D01XHU
  -OEChem-04152109582D

261272  0     1  0  0  0  0  0999 V2000
   14.7062   -9.2078    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9741   -9.2078    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2421  -11.2077    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8183   -6.6265    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.4548   -9.1934    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.5011   -5.1936    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.3317   -5.7528    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3583   -4.0364    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.2027   -9.2482    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.2498   -5.1793    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.0393   -9.3125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.8714   -3.1936    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.0311    7.1204    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.3877    7.2418    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.5448    8.0402    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.9248    0.2701    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.4915    4.5920    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   24.6551    8.7664    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0053    5.5118    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0054    5.5273    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4922    4.6845    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5192    6.4472    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0060    5.6044    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5193    6.4626    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2213    2.1882    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5989   11.5964    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9741  -12.2077    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
   20.0578    8.8522    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   18.0313    7.1512    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   22.6926    8.3808    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.5182    6.3238    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.4384    1.1591    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   18.5980   11.4731    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.5185    6.3546    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   24.9890    7.0669    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   18.6247   13.2049    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.0321    7.2591    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   17.1115   12.3621    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.0324    7.2900    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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M  END

$$$$
D01XHX
  -OEChem-10101305032D

 52 54  0     1  0  0  0  0  0999 V2000
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 25 52  1  0  0  0  0
M  END

$$$$
D01XKY
  -OEChem-10101305022D

 35 38  0     0  0  0  0  0  0999 V2000
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    5.5321   -1.9827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000   -1.9827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660    0.5173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4260   -0.4480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9061   -0.4480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321    1.0173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4260   -2.5173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9061   -2.5173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3321   -0.9619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.9619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.0035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3321   -2.0035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321    2.0173    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
    6.3981    2.5173    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
    7.2641    2.0173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.8678   -2.3156    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9951    2.3273    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981   -0.1027    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981    3.1373    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8010    0.7073    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 23  1  0  0  0  0
  2  7  1  0  0  0  0
  2  8  1  0  0  0  0
  3  9  2  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4  9  1  0  0  0  0
  5  7  1  0  0  0  0
  5 10  2  0  0  0  0
  6  8  1  0  0  0  0
  6 11  2  0  0  0  0
  7 13  2  0  0  0  0
  8 14  2  0  0  0  0
  9 12  1  0  0  0  0
 10 15  1  0  0  0  0
 10 25  1  0  0  0  0
 11 16  1  0  0  0  0
 11 24  1  0  0  0  0
 12 19  2  0  0  0  0
 12 20  1  0  0  0  0
 13 18  1  0  0  0  0
 13 27  1  0  0  0  0
 14 17  1  0  0  0  0
 14 26  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
 16 28  1  0  0  0  0
 17 30  1  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 22  2  0  0  0  0
 20 33  1  0  0  0  0
 21 23  2  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
M  END

$$$$
D01XLZ
  -OEChem-10191522242D

 47 50  0     0  0  0  0  0  0999 V2000
    8.4939    0.7699    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.4039    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.8660    1.9039    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    9.4939   -2.6942    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4103   -0.9008    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.9039    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    7.9939   -1.8282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4939   -0.9621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4939   -2.6942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9939   -1.8282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9939   -0.0961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9939   -0.0961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4103    0.7086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.4039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9939   -3.5602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.5961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7210    1.6592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.9039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.0961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.4039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.5961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6995    1.8654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0531    2.4035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0102    2.8159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3638    3.3540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.0765   -0.7501    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   10.3039   -4.0971    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5309   -3.2502    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    7.5349    4.1495    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  2  0  0  0  0
  2  7  1  0  0  0  0
  3  7  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 10  1  0  0  0  0
  5 11  1  0  0  0  0
  5 16  1  0  0  0  0
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  6 39  1  0  0  0  0
  7 21  1  0  0  0  0
  8 10  1  0  0  0  0
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  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 34  1  0  0  0  0
 10 35  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
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 14 18  1  0  0  0  0
 15 17  2  0  0  0  0
 15 19  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
 18 23  2  0  0  0  0
 18 24  1  0  0  0  0
 19 21  2  0  0  0  0
 19 40  1  0  0  0  0
 20 22  2  0  0  0  0
 20 41  1  0  0  0  0
 21 22  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
 25 45  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
M  CHG  2   2  -1   7   1
M  END

$$$$
D01XMK
  -OEChem-10101305022D

 34 36  0     0  0  0  0  0  0999 V2000
    9.8222   -0.3020    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.7673    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    0.2327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.2673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    0.2327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    1.2327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -0.2673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    1.2327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    1.7327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.2327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.2673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -1.2673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8222    1.7673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7282    0.2119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7282    1.2535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.2673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.7673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.2327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5923   -0.2915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.2673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.0622    2.3527    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.8527    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -1.5773    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8150    2.3873    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2639    1.5656    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0611   -1.5773    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -2.3873    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1306    0.7076    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3335    0.7076    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2802   -0.8272    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.1280   -0.6035    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9044    0.2443    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1 14  2  0  0  0  0
  2 20  3  0  0  0  0
  3  4  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4 10  1  0  0  0  0
  4 12  2  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  6  9  1  0  0  0  0
  6 13  1  0  0  0  0
  7 21  1  0  0  0  0
  8  9  2  0  0  0  0
  8 22  1  0  0  0  0
  9 23  1  0  0  0  0
 10 11  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 17  1  0  0  0  0
 12 25  1  0  0  0  0
 13 15  2  0  0  0  0
 13 26  1  0  0  0  0
 14 15  1  0  0  0  0
 14 19  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
 18 20  1  0  0  0  0
 18 30  1  0  0  0  0
 18 31  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
M  END

$$$$
D01XMM
  -OEChem-10101305022D

 34 36  0     0  0  0  0  0  0999 V2000
    4.5981    0.1970    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.0981   -0.6690    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0981    1.0630    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4530    0.9523    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7320    1.6970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.1970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    2.1970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.3301    0.1970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.3030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -0.3030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -1.3030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -1.8030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1424    0.0018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7260   -0.8030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3426    1.5894    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9441    2.2796    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    3.2646    2.6720    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4675    2.6720    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3894    0.8047    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    1.7880    2.2796    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3894    1.5894    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.8170    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9272   -1.6130    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -2.4230    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3350   -2.1970    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 13  1  0  0  0  0
  4 19  2  0  0  0  0
  5 20  2  0  0  0  0
  6  8  1  0  0  0  0
  6  9  1  0  0  0  0
  7 17  1  0  0  0  0
  7 20  1  0  0  0  0
  7 34  1  0  0  0  0
  8 10  1  0  0  0  0
  8 21  1  0  0  0  0
  8 22  1  0  0  0  0
  9 11  1  0  0  0  0
  9 23  1  0  0  0  0
  9 24  1  0  0  0  0
 10 12  1  0  0  0  0
 10 25  1  0  0  0  0
 10 26  1  0  0  0  0
 11 12  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
 12 30  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 31  1  0  0  0  0
 15 18  2  0  0  0  0
 15 32  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
 18 33  1  0  0  0  0
 19 20  1  0  0  0  0
M  END

$$$$
D01XMY
  -OEChem-10191521482D

 67 68  0     1  0  0  0  0  0999 V2000
    3.7320    1.0198    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4573   -1.0146    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    5.4920    1.9852    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.7320    2.0198    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.3981    2.4990    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    5.4920    4.0545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2622    1.9957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    4.0198    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.1893   -1.0347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.5198    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8712    1.1000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.2554    2.6275    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6540    1.9372    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291    3.2098    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    4.6398    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9338    3.8527    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4848    4.6744    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9499    0.3605    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5594    1.0554    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9501    1.4599    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7979    1.6836    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5742    2.5314    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100    4.5568    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    4.3298    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900    3.4829    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7958   -0.2085    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7986   -1.1494    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4080   -0.4545    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.1002    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1705   -2.6546    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4502   -1.6346    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    8.6472   -2.6593    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2567   -1.9645    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.2690   -1.2902    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    1.3800   -1.9802    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  9  1  1  6  0  0  0
  1 23  1  0  0  0  0
 21  2  1  6  0  0  0
  2 56  1  0  0  0  0
  3 23  2  0  0  0  0
 25  4  1  1  0  0  0
  4 64  1  0  0  0  0
  5 30  1  0  0  0  0
  6 30  2  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 31  1  0  0  0  0
  8 10  1  0  0  0  0
  8 12  1  6  0  0  0
  8 32  1  0  0  0  0
  9 13  1  0  0  0  0
  9 33  1  0  0  0  0
 10 16  1  0  0  0  0
 10 19  1  6  0  0  0
 10 34  1  0  0  0  0
 11 15  2  0  0  0  0
 11 17  1  0  0  0  0
 12 18  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 15  1  0  0  0  0
 14 20  1  1  0  0  0
 14 39  1  0  0  0  0
 15 40  1  0  0  0  0
 16 17  2  0  0  0  0
 16 41  1  0  0  0  0
 17 42  1  0  0  0  0
 18 21  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 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
 22 25  1  0  0  0  0
 22 52  1  0  0  0  0
 22 53  1  0  0  0  0
 23 24  1  0  0  0  0
 24 26  1  0  0  0  0
 24 28  1  1  0  0  0
 24 54  1  0  0  0  0
 25 27  1  0  0  0  0
 25 55  1  0  0  0  0
 26 29  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
 27 59  1  0  0  0  0
 27 60  1  0  0  0  0
 28 61  1  0  0  0  0
 28 62  1  0  0  0  0
 28 63  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
M  CHG  1   5  -1
M  END

$$$$
D01XOR
  -OEChem-10101305022D

 22 22  0     1  0  0  0  0  0999 V2000
    4.7599    1.4967    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.8736   -0.5182    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2599   -0.6940    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5771   -0.8836    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1609   -0.2601    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
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    3.1364    0.7148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7599    1.4967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9427   -0.8836    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3590   -0.2601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0915   -0.8762    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9420    0.4458    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7700    1.1996    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7499    1.1996    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5779    0.4458    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8979    2.1011    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2013    1.7657    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4779   -1.2938    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2660   -1.4126    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.6571    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    7.3584   -0.9048    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  8  1  0  0  0  0
  2  9  1  0  0  0  0
  2 22  1  0  0  0  0
  3  5  1  0  0  0  0
  3 10  2  0  0  0  0
  4 10  1  0  0  0  0
  4 20  1  0  0  0  0
  4 21  1  0  0  0  0
  5  6  1  0  0  0  0
  5  9  1  0  0  0  0
  5 11  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 10  1  0  0  0  0
  7 14  1  0  0  0  0
  7 15  1  0  0  0  0
  8 16  1  0  0  0  0
  8 17  1  0  0  0  0
  9 18  1  0  0  0  0
  9 19  1  0  0  0  0
M  END

$$$$
D01XRG
  -OEChem-10101305022D

 83 87  0     1  0  0  0  0  0999 V2000
   10.7090   -3.7523    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8602    0.7654    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
   11.5923   -2.2624    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7702    1.2723    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.6984   -1.7277    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.5022    1.2723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6362    0.7723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8324   -0.2277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3683    0.7723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6984   -0.7277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8324    0.7723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7702    2.2723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.5923   -0.1931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7542   -0.7970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.4984   -0.7069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4984   -1.7485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6362    3.7723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1003   -2.2277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.2754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5808   -3.2623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4410   -3.7723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2343    0.6523    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9663    0.6523    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0374    1.7030    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6918   -2.5777    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9697    0.2973    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7668    0.2973    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4429    0.6646    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0444    1.3549    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0993    3.0823    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5581    2.8549    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1596    2.1646    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4294   -1.4177    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1128    2.1646    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7143    2.8549    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4338   -2.7027    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2309   -2.7027    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7543   -0.1451    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   11.9860    0.2860    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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M  END

$$$$
D01XSX
  -OEChem-10101305032D

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M  END

$$$$
D01XUU
  -OEChem-10101305032D

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 18 45  1  0  0  0  0
 19 20  1  0  0  0  0
 19 47  1  0  0  0  0
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 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 21 49  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  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
 26 27  1  0  0  0  0
 26 29  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
 30 31  1  0  0  0  0
 30 32  2  0  0  0  0
 31 33  2  0  0  0  0
 31 56  1  0  0  0  0
 32 57  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

$$$$
D01XWL
  -OEChem-10101305022D

 24 25  0     0  0  0  0  0  0999 V2000
    4.6313   -1.7023    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8104    2.0789    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.3961    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4088    1.5196    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  1 10  1  0  0  0  0
  1 24  1  0  0  0  0
  2 14  2  0  0  0  0
  3 15  2  0  0  0  0
  4  5  1  0  0  0  0
  4 14  1  0  0  0  0
  4 19  1  0  0  0  0
  5  6  2  0  0  0  0
  5  8  1  0  0  0  0
  6  9  1  0  0  0  0
  6 10  1  0  0  0  0
  7  8  2  0  0  0  0
  7 11  1  0  0  0  0
  7 13  1  0  0  0  0
  8 16  1  0  0  0  0
  9 11  2  0  0  0  0
  9 17  1  0  0  0  0
 10 12  2  0  0  0  0
 11 18  1  0  0  0  0
 12 15  1  0  0  0  0
 12 20  1  0  0  0  0
 13 21  1  0  0  0  0
 13 22  1  0  0  0  0
 13 23  1  0  0  0  0
 14 15  1  0  0  0  0
M  END

$$$$
D01XWZ
  -OEChem-10101305022D

 45 46  0     0  0  0  0  0  0999 V2000
    2.5369   -5.8450    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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    3.4030   -3.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.1350   -1.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -4.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0010    1.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.1350    1.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  9  1  0  0  0  0
  1 40  1  0  0  0  0
  2 10  2  0  0  0  0
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 21 22  1  0  0  0  0
 21 44  1  0  0  0  0
 22 45  1  0  0  0  0
M  END

$$$$
D01XXN
  -OEChem-10101305022D

 34 35  0     0  0  0  0  0  0999 V2000
    5.1350    1.1550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -3.3450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -4.3450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.5369   -3.3450    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    3.4030    0.1550    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
    2.5369   -0.3450    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   -1.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  9  2  0  0  0  0
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  3  5  1  0  0  0  0
  3 34  1  0  0  0  0
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  4  9  1  0  0  0  0
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  5 20  1  0  0  0  0
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  6 21  1  0  0  0  0
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  8 11  1  0  0  0  0
 10 15  1  0  0  0  0
 10 24  1  0  0  0  0
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 13 17  1  0  0  0  0
 13 26  1  0  0  0  0
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 15 28  1  0  0  0  0
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 17 19  2  0  0  0  0
 17 30  1  0  0  0  0
 18 19  1  0  0  0  0
 18 31  1  0  0  0  0
 19 32  1  0  0  0  0
M  END

$$$$
D01XXZ
  -OEChem-10101305022D

 33 35  0     0  0  0  0  0  0999 V2000
    5.4641    0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  4  7  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 20  1  0  0  0  0
  7 14  1  0  0  0  0
  7 21  1  0  0  0  0
  7 22  1  0  0  0  0
  8 12  2  0  0  0  0
  8 13  1  0  0  0  0
  9 10  2  0  0  0  0
  9 23  1  0  0  0  0
 10 24  1  0  0  0  0
 11 12  1  0  0  0  0
 12 25  1  0  0  0  0
 13 15  2  0  0  0  0
 13 16  1  0  0  0  0
 14 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
 15 29  1  0  0  0  0
 16 18  2  0  0  0  0
 16 30  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

$$$$
D01XYD
  -OEChem-10191522162D

 44 46  0     0  0  0  0  0  0999 V2000
    4.6386    1.0369    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.3969    5.5213    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5047    1.5369    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.5369    6.5213    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8671    6.0213    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8671    5.0213    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8133    6.3261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0010    6.5213    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1350    6.0213    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3969    5.5213    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0010    4.5213    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1350    5.0213    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1240    7.2766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2690    6.5213    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1024    7.4828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.4030    6.0213    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0416    1.2269    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  1  5  2  0  0  0  0
  1 27  1  0  0  0  0
  2 14  2  0  0  0  0
  3 44  1  0  0  0  0
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  6 29  1  0  0  0  0
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 10 15  1  0  0  0  0
 11 14  1  0  0  0  0
 11 17  2  0  0  0  0
 12 13  2  0  0  0  0
 12 28  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 30  1  0  0  0  0
 16 31  1  0  0  0  0
 17 19  1  0  0  0  0
 17 32  1  0  0  0  0
 18 21  1  0  0  0  0
 18 22  2  0  0  0  0
 19 20  2  0  0  0  0
 20 24  1  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 36  1  0  0  0  0
 23 24  2  0  0  0  0
 23 37  1  0  0  0  0
 24 38  1  0  0  0  0
 25 26  1  0  0  0  0
 25 39  1  0  0  0  0
 26 40  1  0  0  0  0
 27 41  1  0  0  0  0
 27 42  1  0  0  0  0
 27 43  1  0  0  0  0
M  END

$$$$
D01XZI
  -OEChem-10191521172D

 40 42  0     1  0  0  0  0  0999 V2000
    2.8660    2.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.5000    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
    4.5981    0.0000    0.0000 C   0  0  2  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    0.5000    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
    6.3580   -0.0347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3580    2.0347    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    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.5000    0.0000 C   0  0  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
    7.2641    0.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7320   -2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.5981   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0010   -2.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -3.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1  0  0  0
  1 11  1  0  0  0  0
  1 12  1  0  0  0  0
  2  3  1  0  0  0  0
  2  5  1  0  0  0  0
  2 20  1  0  0  0  0
  3  4  1  0  0  0  0
  3 21  1  0  0  0  0
  3 22  1  0  0  0  0
  4  6  1  0  0  0  0
  4  8  1  6  0  0  0
  4 23  1  0  0  0  0
  5  7  1  0  0  0  0
  5 24  1  0  0  0  0
  5 25  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
  8 13  2  0  0  0  0
  8 14  1  0  0  0  0
  9 15  1  0  0  0  0
  9 26  1  0  0  0  0
 10 16  1  0  0  0  0
 10 27  1  0  0  0  0
 11 31  1  0  0  0  0
 11 32  1  0  0  0  0
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 12 28  1  0  0  0  0
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 13 17  1  0  0  0  0
 13 34  1  0  0  0  0
 14 18  2  0  0  0  0
 14 35  1  0  0  0  0
 15 16  2  0  0  0  0
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 16 37  1  0  0  0  0
 17 19  2  0  0  0  0
 17 38  1  0  0  0  0
 18 19  1  0  0  0  0
 18 39  1  0  0  0  0
 19 40  1  0  0  0  0
M  END

$$$$
D01YBD
  -OEChem-10101305022D

 37 39  0     0  0  0  0  0  0999 V2000
    4.5981   -0.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.2500    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
    3.7320    0.2500    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
    2.8660   -0.2500    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
    2.0000   -1.7500    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    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
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    4.8101   -1.8326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   10.3312    0.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3312   -1.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1  6  1  0  0  0  0
  1 10  1  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  2  0  0  0  0
  4 10  2  0  0  0  0
  4 12  1  0  0  0  0
  5  7  1  0  0  0  0
  5 22  1  0  0  0  0
  5 23  1  0  0  0  0
  6  8  1  0  0  0  0
  6 20  1  0  0  0  0
  6 21  1  0  0  0  0
  7 26  1  0  0  0  0
  7 27  1  0  0  0  0
  8 24  1  0  0  0  0
  8 25  1  0  0  0  0
  9 28  1  0  0  0  0
  9 29  1  0  0  0  0
  9 30  1  0  0  0  0
 11 13  1  0  0  0  0
 11 14  1  0  0  0  0
 12 13  2  0  0  0  0
 12 31  1  0  0  0  0
 13 32  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 33  1  0  0  0  0
 16 18  2  0  0  0  0
 16 34  1  0  0  0  0
 17 19  2  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
 19 37  1  0  0  0  0
M  END

$$$$
D01YBR
  -OEChem-10101305022D

 44 45  0     0  0  0  0  0  0999 V2000
    2.0000   -5.6550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -2.6550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    4.8450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    5.8450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -4.6550    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    8.0622    4.8450    0.0000 N   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
    2.8660   -4.1550    0.0000 C   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
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    5.4641    0.3450    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    1.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  6  1  0  0  0  0
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  7 43  1  0  0  0  0
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 10 13  1  0  0  0  0
 10 28  1  0  0  0  0
 10 29  1  0  0  0  0
 11 32  1  0  0  0  0
 11 33  1  0  0  0  0
 12 30  1  0  0  0  0
 12 31  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
 14 17  2  0  0  0  0
 14 18  1  0  0  0  0
 15 36  1  0  0  0  0
 16 19  2  0  0  0  0
 16 20  1  0  0  0  0
 16 21  1  0  0  0  0
 17 19  1  0  0  0  0
 17 37  1  0  0  0  0
 18 20  2  0  0  0  0
 18 38  1  0  0  0  0
 19 39  1  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 23  1  0  0  0  0
 22 42  1  0  0  0  0
M  END

$$$$
D01YDO
  -OEChem-04152122232D

 43 43  0     1  0  0  0  0  0999 V2000
    5.4641   -0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    2.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.7500    0.0000 C   0  0  3  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    2.7500    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
    4.5981   -2.2500    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
    5.4641   -1.7500    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
    8.9282    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.2500    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
    6.3301   -2.2500    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   -3.7500    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
    5.7932    0.4400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    7.8067    1.3577    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    6.6592    2.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5422   -0.8326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.1306   -1.2750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3335   -1.2750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6822    3.7500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    4.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4422    3.7500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    5.4641   -4.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -3.5600    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  4  1  0  0  0  0
  2 38  1  0  0  0  0
  3  5  1  0  0  0  0
  3  6  1  0  0  0  0
  3 23  1  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  4 19  1  0  0  0  0
  5 20  1  0  0  0  0
  5 21  1  0  0  0  0
  6 11  1  0  0  0  0
  6 12  1  0  0  0  0
  6 22  1  0  0  0  0
  7 24  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 14  2  0  0  0  0
  9 13  1  0  0  0  0
  9 26  1  0  0  0  0
  9 27  1  0  0  0  0
 10 15  2  0  0  0  0
 11 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
 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
 14 36  1  0  0  0  0
 15 18  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
 16 41  1  0  0  0  0
 17 18  2  0  0  0  0
 17 42  1  0  0  0  0
 18 43  1  0  0  0  0
M  END

$$$$
D01YDR
  -OEChem-04152122322D

 33 34  0     0  0  0  0  0  0999 V2000
   10.2778    2.8345    0.0000 I  -2  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.4404    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6565    0.9335    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4103   -2.2452    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0102    1.4715    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4103   -0.6357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.9404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7210    0.3148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.9404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9939   -1.4404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6995    0.5210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.4404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.4404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.9404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.9404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9887    1.6778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2993    2.6283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.9404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7004    0.9345    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1 17  1  0  0  0  0
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  2 18  1  0  0  0  0
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  4  9  1  0  0  0  0
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  7  9  2  0  0  0  0
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 10 23  1  0  0  0  0
 11 21  1  0  0  0  0
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 13 15  2  0  0  0  0
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 17 29  1  0  0  0  0
 17 30  1  0  0  0  0
 18 31  1  0  0  0  0
 18 32  1  0  0  0  0
 18 33  1  0  0  0  0
M  ISO  1   1 125
M  END

$$$$
D01YED
  -OEChem-10101305032D

 39 40  0     1  0  0  0  0  0999 V2000
    2.8660    0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.7500    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
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    3.7320    2.2500    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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  9 10  1  0  0  0  0
  9 11  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
 10 32  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 13 15  1  0  0  0  0
 13 33  1  0  0  0  0
 14 16  2  0  0  0  0
 14 34  1  0  0  0  0
 15 17  2  0  0  0  0
 16 17  1  0  0  0  0
 16 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
M  END

$$$$
D01YEN
  -OEChem-10191522142D

 17 17  0     1  0  0  0  0  0999 V2000
    3.6377   -1.4206    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1779    2.0620    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7602    1.3575    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2068   -1.7296    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3644    0.2349    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4467   -2.0084    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3590    0.3394    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.9467   -0.4696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9467   -0.4696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2558   -1.4206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7657    1.2530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1068   -0.2269    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3112    0.0320    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.7365    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1122   -0.3315    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4467   -2.6284    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4301    2.6284    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  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 11  2  0  0  0  0
  4 10  2  0  0  0  0
  5  7  1  0  0  0  0
  5 14  1  0  0  0  0
  5 15  1  0  0  0  0
  6 10  1  0  0  0  0
  6 16  1  0  0  0  0
  7  8  1  0  0  0  0
  7 11  1  0  0  0  0
  7 12  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
  9 13  1  0  0  0  0
M  END

$$$$
D01YFR
          07280700362D 1   1.00000     0.00000     0

 36 40  0     1  0            999 V2000
    7.0190  -13.8835    0.0000 N   0  0  0  0  0  0           0  0  0
    7.5925  -13.4677    0.0000 C   0  0  0  0  0  0           0  0  0
    7.3732  -12.7919    0.0000 N   0  0  0  0  0  0           0  0  0
    6.6649  -12.7919    0.0000 C   0  0  0  0  0  0           0  0  0
    6.4456  -13.4677    0.0000 N   0  0  3  0  0  0           0  0  0
    2.7152  -14.7750    0.0000 C   0  0  0  0  0  0           0  0  0
    2.7141  -15.4857    0.0000 C   0  0  0  0  0  0           0  0  0
    3.3289  -15.8402    0.0000 C   0  0  0  0  0  0           0  0  0
    3.3271  -14.4205    0.0000 C   0  0  0  0  0  0           0  0  0
    4.6144  -14.5487    0.0000 N   0  0  3  0  0  0           0  0  0
    3.9383  -14.7713    0.0000 C   0  0  0  0  0  0           0  0  0
    3.9421  -15.4837    0.0000 C   0  0  0  0  0  0           0  0  0
    4.6213  -15.6990    0.0000 C   0  0  0  0  0  0           0  0  0
    5.0350  -15.1191    0.0000 N   0  0  0  0  0  0           0  0  0
    4.6083  -13.8375    0.0000 C   0  0  1  0  0  0           0  0  0
    5.2187  -13.4781    0.0000 C   0  0  1  0  0  0           0  0  0
    3.9919  -13.4886    0.0000 C   0  0  0  0  0  0           0  0  0
    5.8352  -13.8270    0.0000 C   0  0  0  0  0  0           0  0  0
    4.8583  -12.8583    0.0000 O   0  0  0  0  0  0           0  0  0
    5.5667  -12.8583    0.0000 C   0  0  0  0  0  0           0  0  0
    6.2783  -12.8521    0.0000 C   0  0  0  0  0  0           0  0  0
    6.6262  -12.2331    0.0000 C   0  0  0  0  0  0           0  0  0
    6.2634  -11.6210    0.0000 C   0  0  0  0  0  0           0  0  0
    5.5490  -11.6319    0.0000 C   0  0  0  0  0  0           0  0  0
    5.2044  -12.2514    0.0000 C   0  0  0  0  0  0           0  0  0
    4.4961  -12.2623    0.0000 F   0  0  0  0  0  0           0  0  0
    6.6093  -11.0029    0.0000 F   0  0  0  0  0  0           0  0  0
    2.1004  -15.8395    0.0000 N   0  0  0  0  0  0           0  0  0
    1.4872  -15.4850    0.0000 C   0  0  0  0  0  0           0  0  0
    0.8736  -15.8388    0.0000 C   0  0  0  0  0  0           0  0  0
    0.2611  -15.4834    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.3521  -15.8366    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.3529  -16.5457    0.0000 C   0  0  0  0  0  0           0  0  0
    0.2647  -16.9001    0.0000 C   0  0  0  0  0  0           0  0  0
    0.8753  -16.5448    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.9661  -16.9003    0.0000 Cl  0  0  0  0  0  0           0  0  0
  1  2  2  0     0  0
 16 18  1  0     0  0
 11  9  2  0     0  0
 16 19  1  6     0  0
  9  6  1  0     0  0
 16 20  1  0     0  0
 11 12  1  0     0  0
 20 21  2  0     0  0
  3  4  2  0     0  0
 21 22  1  0     0  0
  5  1  1  0     0  0
 22 23  2  0     0  0
 23 24  1  0     0  0
  4  5  1  0     0  0
 24 25  2  0     0  0
 25 20  1  0     0  0
  6  7  2  0     0  0
 25 26  1  0     0  0
 10 11  1  0     0  0
 23 27  1  0     0  0
 18  5  1  0     0  0
 12 13  1  0     0  0
  7 28  1  0     0  0
 13 14  2  0     0  0
 28 29  1  0     0  0
 14 10  1  0     0  0
 29 30  1  0     0  0
  2  3  1  0     0  0
 30 31  2  0     0  0
 10 15  1  0     0  0
 31 32  1  0     0  0
  7  8  1  0     0  0
 32 33  2  0     0  0
 15 16  1  0     0  0
 33 34  1  0     0  0
  8 12  2  0     0  0
 34 35  2  0     0  0
 35 30  1  0     0  0
 15 17  1  6     0  0
 33 36  1  0     0  0
M  END

$$$$
D01YGY
          05020800392D 1   1.00000     0.00000     0

 28 31  0     1  0            999 V2000
    3.0209   -1.8083    0.0000 C   0  0  1  0  0  0           0  0  0
    1.1667   -2.8750    0.0000 C   0  0  2  0  0  0           0  0  0
    3.0209   -2.5125    0.0000 C   0  0  2  0  0  0           0  0  0
    1.7917   -2.5125    0.0000 C   0  0  2  0  0  0           0  0  0
    2.3959   -2.8750    0.0000 C   0  0  1  0  0  0           0  0  0
    3.6959   -1.5875    0.0000 C   0  0  2  0  0  0           0  0  0
    1.1667   -3.5875    0.0000 C   0  0  1  0  0  0           0  0  0
    2.3959   -1.4500    0.0000 C   0  0  0  0  0  0           0  0  0
    1.7917   -1.8083    0.0000 C   0  0  0  0  0  0           0  0  0
    3.6959   -2.7333    0.0000 C   0  0  0  0  0  0           0  0  0
    0.5459   -2.5125    0.0000 C   0  0  0  0  0  0           0  0  0
    4.1209   -2.1583    0.0000 C   0  0  0  0  0  0           0  0  0
    2.3959   -3.5875    0.0000 C   0  0  0  0  0  0           0  0  0
    1.7792   -3.9458    0.0000 C   0  0  0  0  0  0           0  0  0
    0.5417   -3.9375    0.0000 C   0  0  0  0  0  0           0  0  0
    3.0209   -1.1000    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.0791   -2.8625    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.0791   -3.5833    0.0000 C   0  0  2  0  0  0           0  0  0
    1.1667   -2.1583    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.6916   -3.9333    0.0000 O   0  0  0  0  0  0           0  0  0
    1.7917   -3.2250    0.0000 H   0  0  0  0  0  0           0  0  0
    3.0209   -3.2250    0.0000 H   0  0  0  0  0  0           0  0  0
    1.1667   -4.2958    0.0000 H   0  0  0  0  0  0           0  0  0
    2.3959   -2.1583    0.0000 H   0  0  0  0  0  0           0  0  0
    3.6917   -0.8792    0.0000 C   0  0  1  0  0  0           0  0  0
    3.0761   -0.5286    0.0000 O   0  0  0  0  0  0           0  0  0
    4.3030   -0.5214    0.0000 C   0  0  0  0  0  0           0  0  0
    4.3083   -1.2292    0.0000 H   0  0  0  0  0  0           0  0  0
  5  3  1  0     0  0
  6  1  1  0     0  0
  7  2  1  0     0  0
  8  1  1  0     0  0
  9  8  1  0     0  0
 10  3  1  0     0  0
 11  2  1  0     0  0
 12  6  1  0     0  0
 13  5  1  0     0  0
 14 13  1  0     0  0
 15  7  1  0     0  0
  1 16  1  1     0  0
 17 11  1  0     0  0
 18 17  1  0     0  0
  2 19  1  1     0  0
 18 20  1  1     0  0
  4 21  1  6     0  0
  3 22  1  6     0  0
  7 23  1  6     0  0
  5 24  1  1     0  0
 12 10  1  0     0  0
  4  5  1  0     0  0
  7 14  1  0     0  0
 15 18  1  0     0  0
  6 25  1  0     0  0
  2  4  1  0     0  0
 25 26  1  1     0  0
  3  1  1  0     0  0
 25 27  1  0     0  0
  4  9  1  0     0  0
  6 28  1  6     0  0
M  END

$$$$
D01YHK
  -OEChem-10101305022D

 21 21  0     0  0  0  0  0  0999 V2000
    3.7320    1.9050    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.0950    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.7320    1.9050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7320    1.9050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.0950    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.9050    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.5950    0.0000 N   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
    2.8660    0.4050    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   -1.0950    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
    4.5981   -0.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291    0.7150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    0.7150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -0.9050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951   -2.4050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    3.2150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951    3.2150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -3.2150    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
  1  3  2  0  0  0  0
  1  4  2  0  0  0  0
  1  6  1  0  0  0  0
  1  8  1  0  0  0  0
  2 12  1  0  0  0  0
  5  7  1  0  0  0  0
  5 11  1  0  0  0  0
  5 17  1  0  0  0  0
  6 18  1  0  0  0  0
  6 19  1  0  0  0  0
  7 20  1  0  0  0  0
  7 21  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 14  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
 11 13  1  0  0  0  0
 13 16  1  0  0  0  0
M  END

$$$$
D01YHO
          12010900062D 1   1.00000     0.00000     0

 17 17  0     1  0            999 V2000
    2.8000   -4.2500    0.0000 O   0  0  0  0  0  0           0  0  0
    2.0917   -4.2458    0.0000 C   0  0  1  0  0  0           0  0  0
    1.7359   -4.8538    0.0000 C   0  0  2  0  0  0           0  0  0
    2.0845   -5.4698    0.0000 C   0  0  1  0  0  0           0  0  0
    2.7928   -5.4740    0.0000 C   0  0  0  0  0  0           0  0  0
    3.1525   -4.8621    0.0000 C   0  0  3  0  0  0           0  0  0
    1.7411   -3.6303    0.0000 C   0  0  0  0  0  0           0  0  0
    1.0328   -3.6262    0.0000 O   0  0  0  0  0  0           0  0  0
    0.6822   -3.0107    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.0261   -3.0065    0.0000 O   0  0  0  0  0  0           0  0  0
    1.0400   -2.3993    0.0000 C   0  0  0  0  0  0           0  0  0
    1.0276   -4.8487    0.0000 O   0  0  0  0  0  0           0  0  0
    1.7259   -6.0807    0.0000 O   0  0  0  0  0  0           0  0  0
    1.0175   -6.0755    0.0000 C   0  0  0  0  0  0           0  0  0
    0.6678   -5.4595    0.0000 O   0  0  0  0  0  0           0  0  0
    0.6589   -6.6864    0.0000 C   0  0  0  0  0  0           0  0  0
    3.8609   -4.8653    0.0000 O   0  0  0  0  0  0           0  0  0
  1  6  1  0     0  0
  8  9  1  0     0  0
  2  3  1  0     0  0
  9 10  2  0     0  0
  3  4  1  0     0  0
  9 11  1  0     0  0
  4  5  1  0     0  0
  3 12  1  6     0  0
  5  6  1  0     0  0
  4 13  1  1     0  0
 13 14  1  0     0  0
  2  7  1  1     0  0
 14 15  2  0     0  0
  1  2  1  0     0  0
 14 16  1  0     0  0
  7  8  1  0     0  0
  6 17  1  0     0  0
M  END

$$$$
D01YIR
  -OEChem-10101305022D

 33 35  0     0  0  0  0  0  0999 V2000
    8.7988   -2.4260    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    1.8060    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2152   -1.4987    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2152    0.1108    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    1.8060    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -1.1940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -0.1940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7988   -0.6940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7988   -0.6940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    0.3060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -1.6940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -0.1940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -1.1940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2988   -1.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2988    0.1721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2988   -1.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    1.3060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2988    0.1721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7988   -0.6940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7988   -2.4260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4078   -2.0880    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -2.3140    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.1160    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9888   -2.0969    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.5040    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9888    0.7090    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6088    0.7090    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4188   -0.6940    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    2.4260    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.4960    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7988   -3.0460    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4188   -2.4260    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7988   -1.8060    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 17  2  0  0  0  0
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  5 29  1  0  0  0  0
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 11 13  1  0  0  0  0
 11 22  1  0  0  0  0
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 13 25  1  0  0  0  0
 14 16  1  0  0  0  0
 14 24  1  0  0  0  0
 15 18  2  0  0  0  0
 15 26  1  0  0  0  0
 16 19  2  0  0  0  0
 18 19  1  0  0  0  0
 18 27  1  0  0  0  0
 19 28  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
M  END

$$$$
D01YJJ
  -OEChem-10101305022D

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 11  6  1  6  0  0  0
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 10 14  1  0  0  0  0
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 13 18  2  0  0  0  0
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 22 45  1  0  0  0  0
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 25 26  1  0  0  0  0
 25 48  1  0  0  0  0
 26 49  1  0  0  0  0
M  END

$$$$
D01YNC
  -OEChem-10101305022D

 42 41  0     1  0  0  0  0  0999 V2000
    8.9282    1.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    8.0622   -0.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0000    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    5.4641   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.4641    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942    0.5000    0.0000 C   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
    8.0622    0.5000    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
   10.2942    1.3660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 18 19  1  0  0  0  0
 18 41  1  0  0  0  0
 18 42  1  0  0  0  0
M  END

$$$$
D01YNL
  -OEChem-10101305022D

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  4  5  1  6  0  0  0
  4  6  1  0  0  0  0
  4  8  1  0  0  0  0
  4 27  1  0  0  0  0
  5  7  1  0  0  0  0
  5 28  1  0  0  0  0
  5 29  1  0  0  0  0
  6  9  1  0  0  0  0
  6 30  1  0  0  0  0
  6 31  1  0  0  0  0
  7 32  1  0  0  0  0
  7 33  1  0  0  0  0
  8 15  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 36  1  0  0  0  0
  9 37  1  0  0  0  0
 10 12  1  0  0  0  0
 10 40  1  0  0  0  0
 10 41  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 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
 14 15  2  0  0  0  0
 14 16  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 20  2  0  0  0  0
 18 21  1  0  0  0  0
 18 47  1  0  0  0  0
 19 22  2  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
 21 24  2  0  0  0  0
 21 50  1  0  0  0  0
 22 24  1  0  0  0  0
 22 51  1  0  0  0  0
 23 26  2  0  0  0  0
 23 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
 26 55  1  0  0  0  0
M  END

$$$$
D01YNT
  -OEChem-10101305022D

 30 30  0     1  0  0  0  0  0999 V2000
    6.3264   -0.5649    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0092   -0.7545    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4254   -0.1310    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.2029    0.8439    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8264    1.6257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8264    1.6257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4499    0.8439    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6436   -0.7545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2274   -0.1310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7127   -0.3892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9309   -1.0127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.6473    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4948   -0.7471    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8163    1.3286    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6443    0.5749    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9643    2.2302    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2678    1.8947    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3850    1.8947    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6884    2.2302    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0085    0.5749    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8364    1.3286    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3203   -1.2836    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1084   -1.1648    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6203    0.2239    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5863   -0.5280    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9168   -1.3676    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0233   -1.6257    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2265   -0.0702    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4229   -0.4208    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7735   -1.2245    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1  9  2  0  0  0  0
  2  9  1  0  0  0  0
  2 25  1  0  0  0  0
  2 26  1  0  0  0  0
  3  4  1  0  0  0  0
  3  8  1  0  0  0  0
  3 13  1  0  0  0  0
  4  5  1  0  0  0  0
  4 14  1  0  0  0  0
  4 15  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  7  1  0  0  0  0
  6 18  1  0  0  0  0
  6 19  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
 10 11  2  0  0  0  0
 10 24  1  0  0  0  0
 11 12  1  0  0  0  0
 11 27  1  0  0  0  0
 12 28  1  0  0  0  0
 12 29  1  0  0  0  0
 12 30  1  0  0  0  0
M  END

$$$$
D01YNZ
  -OEChem-10101305032D

 41 43  0     0  0  0  0  0  0999 V2000
    5.4641   -0.8100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    2.1900    0.0000 N   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    0.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    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
    8.0622    1.6900    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   -1.3100    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
    6.3301   -2.3100    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
    7.1962   -2.8100    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   -0.8100    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
    2.8660   -1.3100    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
    2.0000   -0.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6592   -0.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7196    0.7977    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1181    0.1074    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2742    0.1074    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6728    0.7977    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1181    2.2726    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7196    1.5823    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6728    1.5823    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2742    2.2726    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    2.8100    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
    5.7932   -2.6200    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
    7.1962   -3.4300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1996   -1.7850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9966   -1.7850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.9300    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
    1.4631   -1.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    0.5000    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  6  1  0  0  0  0
  2  7  1  0  0  0  0
  2 30  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3  8  1  0  0  0  0
  3 21  1  0  0  0  0
  4  6  1  0  0  0  0
  4 22  1  0  0  0  0
  4 23  1  0  0  0  0
  5  7  1  0  0  0  0
  5 24  1  0  0  0  0
  5 25  1  0  0  0  0
  6 26  1  0  0  0  0
  6 27  1  0  0  0  0
  7 28  1  0  0  0  0
  7 29  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  2  0  0  0  0
  9 11  2  0  0  0  0
 10 12  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
 12 13  2  0  0  0  0
 12 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 16  2  0  0  0  0
 15 17  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 20  2  0  0  0  0
 18 39  1  0  0  0  0
 19 20  1  0  0  0  0
 19 40  1  0  0  0  0
 20 41  1  0  0  0  0
M  END

$$$$
D01YPD
  -OEChem-10101305022D

 33 36  0     0  0  0  0  0  0999 V2000
    4.5274    1.6618    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7123   -1.6618    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7328   -1.4531    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3364    0.0740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0274   -0.8771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0274   -0.8771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7183    0.0740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5274    0.6618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3518    0.3063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0547   -0.4624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3424   -1.6618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7029    0.3063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0321   -0.2508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3219   -1.4531    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.4624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7040   -0.9913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3374    0.7015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9867    0.1726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6814   -0.7796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3148    0.9132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9641    0.3843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5365    0.8981    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5408   -2.2492    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5182    0.8981    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9088   -1.9154    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3940   -0.3312    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5147   -1.5817    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9208    1.1606    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0980   -1.2388    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5041    1.5036    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0953   -0.2217    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5700    0.5155    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8328    0.9902    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  2  0  0  0  0
  2  3  1  0  0  0  0
  2  6  2  0  0  0  0
  3 10  2  0  0  0  0
  4  6  1  0  0  0  0
  4  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 11  2  0  0  0  0
  7  8  1  0  0  0  0
  7 12  2  0  0  0  0
  9 10  1  0  0  0  0
  9 22  1  0  0  0  0
 10 13  1  0  0  0  0
 11 14  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 17  1  0  0  0  0
 14 15  2  0  0  0  0
 14 25  1  0  0  0  0
 15 26  1  0  0  0  0
 16 19  1  0  0  0  0
 16 27  1  0  0  0  0
 17 20  2  0  0  0  0
 17 28  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 18 21  1  0  0  0  0
 19 29  1  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  END

$$$$
D01YPT
  -OEChem-10101305022D

229234  0     1  0  0  0  0  0999 V2000
   10.1332   -4.6318    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    9.2589   -4.1465    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.1740    2.9351    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.6451    2.0865    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.5304    4.9064    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.8217    5.8630    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   13.2453    0.1290    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.6165   -3.2572    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.2784   -5.9107    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6010    2.7094    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.3891   -4.1841    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7037    3.5408    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.9560   -0.9899    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4811    5.8217    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.4172    2.5269    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.9660    5.1056    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6219    4.6523    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.9357    4.2340    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6321    5.8100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7894    5.9310    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0618    4.9477    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2071    2.0264    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6179   -0.6546    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5099   -2.1538    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4793    5.3923    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6781    1.1778    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.5615   -1.1615    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.3629    1.5296    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.4268   -4.1043    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.0313   -4.6318    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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120216  1  0  0  0  0
M  END

$$$$
D01YQX
  -OEChem-10101305022D

 49 48  0     1  0  0  0  0  0999 V2000
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 17 20  3  0  0  0  0
 19 21  3  0  0  0  0
 20 21  1  0  0  0  0
M  END

$$$$
D01YRL
  -OEChem-10101305032D

 41 43  0     0  0  0  0  0  0999 V2000
    4.5981   -1.1900    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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  7 24  1  0  0  0  0
  8 10  1  0  0  0  0
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 10 31  1  0  0  0  0
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 12 13  1  0  0  0  0
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 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
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 15 18  1  0  0  0  0
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 18 20  2  0  0  0  0
 18 38  1  0  0  0  0
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 19 39  1  0  0  0  0
 20 21  1  0  0  0  0
 20 40  1  0  0  0  0
 21 41  1  0  0  0  0
M  END

$$$$
D01YRT
  -OEChem-04152109142D

 45 46  0     0  0  0  0  0  0999 V2000
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   10.9345   -1.2800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   11.1178   -3.7254    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 18  2  0  0  0  0
  2 20  2  0  0  0  0
  3 26  2  0  0  0  0
  4 13  1  0  0  0  0
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  9 23  1  0  0  0  0
 10 23  1  0  0  0  0
 10 26  1  0  0  0  0
 10 41  1  0  0  0  0
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 13 18  1  0  0  0  0
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 17 20  1  0  0  0  0
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 19 33  1  0  0  0  0
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 24 39  1  0  0  0  0
 24 40  1  0  0  0  0
 26 44  1  0  0  0  0
M  END

$$$$
D01YSN
  -OEChem-10191522152D

 45 48  0     1  0  0  0  0  0999 V2000
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 25 42  1  0  0  0  0
 26 27  1  0  0  0  0
 26 43  1  0  0  0  0
M  END

$$$$
D01YTS
  -OEChem-10191521452D

 65 68  0     1  0  0  0  0  0999 V2000
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 13  6  1  6  0  0  0
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 32 35  2  0  0  0  0
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 34 62  1  0  0  0  0
 35 36  1  0  0  0  0
 35 63  1  0  0  0  0
 36 64  1  0  0  0  0
M  END

$$$$
D01YTX
          11210600072D 1   1.00000     0.00000     0

 33 37  0     0  0            999 V2000
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   -2.5458   -2.3166    0.0000 C   0  0  0  0  0  0           0  0  0
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   -1.3990   -1.9487    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.8377   -2.5508    0.0000 C   0  0  0  0  0  0           0  0  0
   -3.1882   -0.4542    0.0000 C   0  0  0  0  0  0           0  0  0
   -4.4694   -2.6875    0.0000 C   0  0  0  0  0  0           0  0  0
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    1.5646   -2.6364    0.0000 N   0  0  3  0  0  0           0  0  0
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    2.0628   -2.0900    0.0000 C   0  0  0  0  0  0           0  0  0
  4 10  1  0     0  0
 17 18  1  0     0  0
  5  6  1  0     0  0
 17 19  2  0     0  0
 18 20  1  0     0  0
 20 21  1  0     0  0
 21 22  1  0     0  0
  6  4  1  0     0  0
  5  1  1  0     0  0
  1  2  2  0     0  0
 11 12  2  0     0  0
 10 23  2  0     0  0
  2  3  1  0     0  0
 23 24  1  0     0  0
 12 13  1  0     0  0
 24 25  2  0     0  0
  6  7  1  0     0  0
 25 26  1  0     0  0
 13 14  2  0     0  0
 26 27  2  0     0  0
 27 10  1  0     0  0
 22 28  1  0     0  0
  7  8  2  0     0  0
 14 15  1  0     0  0
  8  9  1  0     0  0
 15 16  2  0     0  0
 16 11  1  0     0  0
 28 29  1  0     0  0
  2 11  1  0     0  0
  9  5  2  0     0  0
  3  4  2  0     0  0
  9 17  1  0     0  0
 28 33  1  0     0  0
 29 30  1  0     0  0
 30 31  1  0     0  0
 31 32  1  0     0  0
 32 33  1  0     0  0
M  END

$$$$
D01YWD
  -OEChem-10101305022D

 49 50  0     1  0  0  0  0  0999 V2000
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    3.7320   -3.5000    0.0000 O   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
    3.7320    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
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    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
    4.5981   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0000   -5.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0000   -6.5000    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
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    5.4641    5.5000    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
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  1 25  1  0  0  0  0
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 20 21  2  0  0  0  0
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 23 25  2  0  0  0  0
 23 48  1  0  0  0  0
 24 25  1  0  0  0  0
 24 49  1  0  0  0  0
M  END

$$$$
D01YWE
  -OEChem-10191521562D

 39 41  0     1  0  0  0  0  0999 V2000
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    5.1350    3.3216    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1 13  2  0  0  0  0
  2 14  2  0  0  0  0
  3 15  2  0  0  0  0
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 10 11  2  0  0  0  0
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 13 14  1  0  0  0  0
 16 19  1  0  0  0  0
 16 29  1  0  0  0  0
 17 20  2  0  0  0  0
 17 30  1  0  0  0  0
 18 22  2  0  0  0  0
 18 23  1  0  0  0  0
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 22 35  1  0  0  0  0
 23 25  2  0  0  0  0
 23 36  1  0  0  0  0
 24 37  1  0  0  0  0
 25 38  1  0  0  0  0
M  END

$$$$
D01ZAL
  -OEChem-10191521582D

 60 63  0     1  0  0  0  0  0999 V2000
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M  END

$$$$
D01ZCG
  -OEChem-10101305022D

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M  END

$$$$
D01ZCI
  -OEChem-10191522352D

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 63144  1  0  0  0  0
M  END

$$$$
D01ZHK
  -OEChem-10101305022D

 52 55  0     1  0  0  0  0  0999 V2000
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M  END

$$$$
D01ZHW
  -OEChem-10191522282D

 61 60  0     0  0  0  0  0  0999 V2000
    7.1962    2.1550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    4.6550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    3.1550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    2.1550    0.0000 N   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
    2.8660    0.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.8450    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
    7.1962    0.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.3450    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
    7.1962   -0.8450    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
    2.8660   -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
    3.7320   -2.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    1.6550    0.0000 C   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
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    3.7320   -3.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -3.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -3.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -4.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -4.3450    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
    4.5981    3.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3426    0.0473    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9441    0.7376    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2554    0.7627    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6540    0.0724    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9441   -1.4276    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3426   -0.7373    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4766    1.5473    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0781    2.2376    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
    7.4082    0.7376    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -1.0350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5856   -0.7373    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9841   -1.4276    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100    2.6919    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    2.4650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900    1.6181    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7196    0.7627    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.3291   -2.6550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    3.9441   -2.2624    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.0611    4.9650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 17  2  0  0  0  0
  2 26  1  0  0  0  0
  2 61  1  0  0  0  0
  3 26  2  0  0  0  0
  4 17  1  0  0  0  0
  4 25  1  0  0  0  0
  4 55  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 27  1  0  0  0  0
  5 28  1  0  0  0  0
  6  8  1  0  0  0  0
  6 29  1  0  0  0  0
  6 30  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 13  1  0  0  0  0
  9 35  1  0  0  0  0
  9 36  1  0  0  0  0
 10 14  2  0  0  0  0
 10 37  1  0  0  0  0
 11 40  1  0  0  0  0
 11 41  1  0  0  0  0
 11 42  1  0  0  0  0
 12 15  1  0  0  0  0
 12 38  1  0  0  0  0
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 13 17  1  0  0  0  0
 13 43  1  0  0  0  0
 13 44  1  0  0  0  0
 14 16  1  0  0  0  0
 14 45  1  0  0  0  0
 15 18  2  0  0  0  0
 15 46  1  0  0  0  0
 16 20  1  0  0  0  0
 16 47  1  0  0  0  0
 16 48  1  0  0  0  0
 18 19  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
 19 51  1  0  0  0  0
 20 23  2  0  0  0  0
 20 52  1  0  0  0  0
 21 23  1  0  0  0  0
 21 24  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 56  1  0  0  0  0
 23 57  1  0  0  0  0
 24 58  1  0  0  0  0
 25 26  1  0  0  0  0
 25 59  1  0  0  0  0
 25 60  1  0  0  0  0
M  END

$$$$
D01ZIP
  -OEChem-10101305022D

 34 35  0     0  0  0  0  0  0999 V2000
    3.8188   -0.6550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5455    1.0006    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9467    2.0186    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7657    3.7412    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3644    2.7231    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7618   -2.7428    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6278   -2.2428    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8957   -2.2428    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6278   -1.2428    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7618   -3.7428    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4938   -2.7428    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4368   -0.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.1278    0.2961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.5400    1.1051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3590    2.8276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.4013    4.2428    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0000    3.2247    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1  9  1  0  0  0  0
  1 16  1  0  0  0  0
  2 18  2  0  0  0  0
  3 18  1  0  0  0  0
  3 19  2  0  0  0  0
  4 19  1  0  0  0  0
  4 31  1  0  0  0  0
  4 32  1  0  0  0  0
  5 19  1  0  0  0  0
  5 33  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 10  2  0  0  0  0
  7  9  1  0  0  0  0
  7 11  2  0  0  0  0
  8 13  1  0  0  0  0
  8 20  1  0  0  0  0
  8 21  1  0  0  0  0
  9 12  2  0  0  0  0
 10 14  1  0  0  0  0
 10 22  1  0  0  0  0
 11 15  1  0  0  0  0
 11 23  1  0  0  0  0
 12 17  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 27  1  0  0  0  0
 14 15  2  0  0  0  0
 14 28  1  0  0  0  0
 15 29  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 17 30  1  0  0  0  0
M  END

$$$$
D01ZJF
  -OEChem-10101305022D

 48 50  0     0  0  0  0  0  0999 V2000
   10.3312    1.2327    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    1.2327    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -0.2673    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    1.2327    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.5953    0.2119    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.1972   -0.2673    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -0.2673    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.6892    1.7673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7953    1.2327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7953    0.2327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5953    1.2535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6892   -0.3020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9292   -0.2673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9292    1.7327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0632    0.2327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0632    1.2327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3312    0.2327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651   -0.2673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991    0.2327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331   -0.2673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651   -1.2673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331   -1.2673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    0.2327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    0.2327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991   -1.7673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -0.2673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    0.2327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0828    2.2464    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.2846    2.2371    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.2061    1.1474    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.8043    1.8372    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   15.0828   -0.7810    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.1310   -0.1002    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.9292   -0.8873    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.9292    2.3527    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5263    1.5427    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1972   -0.8873    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   10.0021   -1.5773    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    7.1962   -1.5773    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991   -2.3873    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -0.8873    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8705   -0.7423    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6675   -0.7423    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.0427    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 17  2  0  0  0  0
  2 24  2  0  0  0  0
  3 27  1  0  0  0  0
  3 48  1  0  0  0  0
  4 27  2  0  0  0  0
  5 11  1  0  0  0  0
  5 12  1  0  0  0  0
  5 34  1  0  0  0  0
  6 15  1  0  0  0  0
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  6 38  1  0  0  0  0
  7 23  1  0  0  0  0
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  7 45  1  0  0  0  0
  8  9  1  0  0  0  0
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  8 29  1  0  0  0  0
  9 10  2  0  0  0  0
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 10 12  1  0  0  0  0
 10 13  1  0  0  0  0
 11 30  1  0  0  0  0
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 12 32  1  0  0  0  0
 12 33  1  0  0  0  0
 13 15  2  0  0  0  0
 13 35  1  0  0  0  0
 14 16  2  0  0  0  0
 14 36  1  0  0  0  0
 15 16  1  0  0  0  0
 16 37  1  0  0  0  0
 17 18  1  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 39  1  0  0  0  0
 20 22  1  0  0  0  0
 20 24  1  0  0  0  0
 21 25  1  0  0  0  0
 21 40  1  0  0  0  0
 22 25  2  0  0  0  0
 22 43  1  0  0  0  0
 23 26  1  0  0  0  0
 23 41  1  0  0  0  0
 23 42  1  0  0  0  0
 25 44  1  0  0  0  0
 26 27  1  0  0  0  0
 26 46  1  0  0  0  0
 26 47  1  0  0  0  0
M  END

$$$$
D01ZKN
  -OEChem-10101305022D

 44 47  0     0  0  0  0  0  0999 V2000
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  2  6  1  0  0  0  0
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 10 16  1  0  0  0  0
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 11 20  2  0  0  0  0
 13 14  1  0  0  0  0
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 16 31  1  0  0  0  0
 17 34  1  0  0  0  0
 18 32  1  0  0  0  0
 18 33  1  0  0  0  0
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 20 22  1  0  0  0  0
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 21 22  2  0  0  0  0
 21 37  1  0  0  0  0
 22 38  1  0  0  0  0
 23 39  1  0  0  0  0
 23 43  1  0  0  0  0
 23 44  1  0  0  0  0
 24 40  1  0  0  0  0
 24 41  1  0  0  0  0
 24 42  1  0  0  0  0
M  END

$$$$
D01ZMJ
  -OEChem-04152110332D

 45 45  0     0  0  0  0  0  0999 V2000
    6.3301   -2.4050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    4.0950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    5.0950    0.0000 O   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
    8.9282    4.0950    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    6.3301   -0.4050    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
    5.4641   -0.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    2.5950    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
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    3.7320   -3.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    3.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.5981   -5.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 20 40  1  0  0  0  0
 20 41  1  0  0  0  0
 21 43  1  0  0  0  0
M  END

$$$$
D01ZMO
  -OEChem-10101305022D

 32 34  0     0  0  0  0  0  0999 V2000
    8.9030    1.4954    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783   -0.2800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.5847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.6783   -1.8895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8660   -0.0847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.0847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.5847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.5847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6353    0.1324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2781    1.8273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  4  5  1  0  0  0  0
  4 10  2  0  0  0  0
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 10 12  1  0  0  0  0
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 15 17  2  0  0  0  0
 15 29  1  0  0  0  0
 16 17  1  0  0  0  0
 16 30  1  0  0  0  0
M  END

$$$$
D01ZMP
  -OEChem-10101305022D

 31 33  0     0  0  0  0  0  0999 V2000
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 18 31  1  0  0  0  0
M  END

$$$$
D01ZRJ
  -OEChem-04152110222D

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M  END

$$$$
D01ZRX
  -OEChem-10101305022D

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M  END

$$$$
D01ZUN
  -OEChem-10101305022D

 36 36  0     0  0  0  0  0  0999 V2000
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 13 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
M  END

$$$$
D01ZZJ
  -OEChem-10191521302D

 35 36  0     1  0  0  0  0  0999 V2000
    6.9391   -3.1217    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    5.0780   -0.6571    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1812   -2.4172    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5089   -0.3481    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3513   -2.3126    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5269   -3.9307    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7481   -2.5339    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1301   -3.7094    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    3.9307    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.9307    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    2.4307    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    0.9307    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7690   -1.6082    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.4600   -0.6571    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.7690   -1.6082    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.2690   -0.0693    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.3568   -2.4172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    1.4307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    1.4307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    2.4307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    2.9307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1566   -1.5112    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8214    0.2122    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7995   -2.6890    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5277   -3.0132    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4334   -2.9836    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0482   -0.7629    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6720    1.1207    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6720    2.7407    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.2407    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    0.3107    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1435   -3.8659    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6833   -1.9173    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1  6  1  0  0  0  0
  1  7  1  0  0  0  0
  1  8  2  0  0  0  0
  2 15  1  0  0  0  0
  2 16  1  0  0  0  0
 13  3  1  1  0  0  0
  3 28  1  0  0  0  0
 14  4  1  1  0  0  0
  4 29  1  0  0  0  0
  5 17  1  0  0  0  0
  6 34  1  0  0  0  0
  7 35  1  0  0  0  0
  9 21  2  0  0  0  0
 16 10  1  6  0  0  0
 10 18  1  0  0  0  0
 10 19  1  0  0  0  0
 11 18  2  0  0  0  0
 11 21  1  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 14  1  0  0  0  0
 13 15  1  0  0  0  0
 13 22  1  0  0  0  0
 14 16  1  0  0  0  0
 14 23  1  0  0  0  0
 15 17  1  6  0  0  0
 15 24  1  0  0  0  0
 16 25  1  0  0  0  0
 17 26  1  0  0  0  0
 17 27  1  0  0  0  0
 19 20  2  0  0  0  0
 19 30  1  0  0  0  0
 20 21  1  0  0  0  0
 20 31  1  0  0  0  0
M  END

$$$$
D02AAH
  -OEChem-10101305032D

 24 25  0     0  0  0  0  0  0999 V2000
    3.4030    4.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    0.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.4030    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4030    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -4.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -1.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -2.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    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  0  0  0  0  0  0  0  0  0  0
    4.2690    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -1.5000    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
    2.5369    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    3.0000    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
    3.4030   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8059    1.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8059   -1.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8059    2.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8059   -2.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 15  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  2  0  0  0  0
  2  8  1  0  0  0  0
  2  9  1  0  0  0  0
  5 17  2  0  0  0  0
  6  7  1  0  0  0  0
  6  9  2  0  0  0  0
  7 17  1  0  0  0  0
  7 24  1  0  0  0  0
  8 10  2  0  0  0  0
  8 11  1  0  0  0  0
  9 12  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 16  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
 16 17  1  0  0  0  0
 16 23  1  0  0  0  0
M  END

$$$$
D02ACL
  -OEChem-10191521422D

 36 37  0     0  0  0  0  0  0999 V2000
    6.3301   -3.3450    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.1550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.1550    0.0000 N   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
    5.4641   -1.8450    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.8450    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
    2.8660   -1.3450    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -4.3450    0.0000 N   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    2.6550    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
    2.8660    2.6550    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    1.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    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
    2.0000    4.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -3.3450    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
    5.2087    2.5473    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8101    3.2376    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    4.4650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    2.0350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -0.1550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    5.2750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    2.8450    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    4.4650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    2.2750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    1.3450    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -1.6550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.0611   -4.6550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -4.6550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 22  1  0  0  0  0
  2 16  2  0  0  0  0
  3 15  1  0  0  0  0
  3 16  1  0  0  0  0
  3 27  1  0  0  0  0
  4 11  1  0  0  0  0
  4 15  2  0  0  0  0
  5 14  1  0  0  0  0
  5 22  2  0  0  0  0
  6 17  1  0  0  0  0
  6 21  2  0  0  0  0
  7 15  1  0  0  0  0
  7 31  1  0  0  0  0
  7 32  1  0  0  0  0
  8 17  1  0  0  0  0
  8 33  1  0  0  0  0
  8 34  1  0  0  0  0
  9 21  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  2  0  0  0  0
 10 13  1  0  0  0  0
 11 23  1  0  0  0  0
 11 24  1  0  0  0  0
 12 18  1  0  0  0  0
 12 25  1  0  0  0  0
 13 19  2  0  0  0  0
 13 26  1  0  0  0  0
 14 16  1  0  0  0  0
 14 17  2  0  0  0  0
 18 20  2  0  0  0  0
 18 28  1  0  0  0  0
 19 20  1  0  0  0  0
 19 29  1  0  0  0  0
 20 30  1  0  0  0  0
 21 22  1  0  0  0  0
M  END

$$$$
D02ADV
  -OEChem-10101305032D

 21 22  0     0  0  0  0  0  0999 V2000
    2.0570    1.5676    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3660    2.5186    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3660    2.5186    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.0202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.0202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.5202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.5202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.9798    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.5202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.5202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.0202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6750    1.5676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -0.2102    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -0.2102    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -1.8302    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -1.8302    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2460   -3.0202    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.6402    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4860   -3.0202    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2647    1.3760    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0016    3.0202    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  8  2  0  0  0  0
  2  3  1  0  0  0  0
  2 21  1  0  0  0  0
  3 12  2  0  0  0  0
  4  6  2  0  0  0  0
  4  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  2  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6  9  1  0  0  0  0
  6 13  1  0  0  0  0
  7 10  2  0  0  0  0
  7 14  1  0  0  0  0
  8 12  1  0  0  0  0
  9 15  1  0  0  0  0
 10 16  1  0  0  0  0
 11 17  1  0  0  0  0
 11 18  1  0  0  0  0
 11 19  1  0  0  0  0
 12 20  1  0  0  0  0
M  END

$$$$
D02AFI
  -OEChem-10101305022D

 34 35  0     1  0  0  0  0  0999 V2000
    5.1350   -1.0000    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
    2.5369   -0.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    0.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    2.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -2.0000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.4030   -1.0000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.2690   -2.5000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.2690   -0.5000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.1350   -2.0000    0.0000 C   0  0  1  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
    3.4030    1.0000    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
    3.4030    2.0000    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
    3.4030   -2.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8059   -2.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8059   -0.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6720   -1.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    6.2131   -1.9174    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -3.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7320   -3.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5380   -3.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    2.3100    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
    4.8059    3.8100    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
 10  2  1  6  0  0  0
  2 27  1  0  0  0  0
 11  3  1  1  0  0  0
  3 28  1  0  0  0  0
 12  4  1  1  0  0  0
  4 29  1  0  0  0  0
  5 15  1  0  0  0  0
  5 31  1  0  0  0  0
  6 17  2  0  0  0  0
 13  7  1  6  0  0  0
  7 16  1  0  0  0  0
  7 17  1  0  0  0  0
  8 17  1  0  0  0  0
  8 19  2  0  0  0  0
  9 19  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 12  1  0  0  0  0
 10 20  1  0  0  0  0
 11 13  1  0  0  0  0
 11 21  1  0  0  0  0
 12 14  1  0  0  0  0
 12 22  1  0  0  0  0
 13 23  1  0  0  0  0
 14 15  1  6  0  0  0
 14 24  1  0  0  0  0
 15 25  1  0  0  0  0
 15 26  1  0  0  0  0
 16 18  2  0  0  0  0
 16 30  1  0  0  0  0
 18 19  1  0  0  0  0
 18 32  1  0  0  0  0
M  END

$$$$
D02AFZ
  -OEChem-04152110342D

 31 33  0     0  0  0  0  0  0999 V2000
    7.0547   -0.2724    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    4.5274    0.8518    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0274   -0.6871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3364    0.2640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0274   -0.6871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7183    0.2640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0321   -0.0608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3518    0.4963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7123   -1.4718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7328   -1.2631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7040   -0.8013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3424   -1.4718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7029    0.4963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3219   -1.2631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6814   -0.5896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.2724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5566    0.2698    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7976    0.5132    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5365    1.0881    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5274    1.4718    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5139   -2.0592    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1459   -1.7254    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1795   -1.1319    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9385   -1.3753    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5408   -2.0592    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5182    1.0881    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8126   -1.1956    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2873   -0.4584    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5502    0.0163    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9088   -1.7254    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3940   -0.1412    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1  8  2  0  0  0  0
  1 10  1  0  0  0  0
  2  4  1  0  0  0  0
  2  6  1  0  0  0  0
  2 20  1  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  8  1  0  0  0  0
  5  6  1  0  0  0  0
  5 12  2  0  0  0  0
  6 13  2  0  0  0  0
  7 11  1  0  0  0  0
  7 17  1  0  0  0  0
  7 18  1  0  0  0  0
  8 19  1  0  0  0  0
  9 10  2  0  0  0  0
  9 21  1  0  0  0  0
 10 22  1  0  0  0  0
 11 15  1  0  0  0  0
 11 23  1  0  0  0  0
 11 24  1  0  0  0  0
 12 14  1  0  0  0  0
 12 25  1  0  0  0  0
 13 16  1  0  0  0  0
 13 26  1  0  0  0  0
 14 16  2  0  0  0  0
 14 30  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 31  1  0  0  0  0
M  CHG  1   1   1
M  END

$$$$
D02AIH
  -OEChem-10101305022D

 31 32  0     0  0  0  0  0  0999 V2000
    3.2733   -0.8087    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.8468    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5823    0.1424    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9483   -2.8965    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8135    2.6739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4013    1.8649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2202    3.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9945    0.9514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6324    4.3965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5823    0.1424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0823   -1.3965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0823   -2.3965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8913   -0.8087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2163   -2.8965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2163   -3.8965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0823   -4.3965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9483   -3.8965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2995    3.0206    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3828    2.2279    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9153    1.5182    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8320    2.3109    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7342    3.2408    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6509    4.0335    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1340    4.7609    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2680    4.8981    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1308    4.0321    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4810   -1.0003    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6794   -2.5865    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6794   -4.2065    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0823   -5.0165    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4853   -4.2065    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  8  2  0  0  0  0
  3 10  2  0  0  0  0
  3 13  1  0  0  0  0
  4 12  1  0  0  0  0
  4 17  2  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 18  1  0  0  0  0
  5 19  1  0  0  0  0
  6  8  1  0  0  0  0
  6 20  1  0  0  0  0
  6 21  1  0  0  0  0
  7  9  1  0  0  0  0
  7 22  1  0  0  0  0
  7 23  1  0  0  0  0
  8 10  1  0  0  0  0
  9 24  1  0  0  0  0
  9 25  1  0  0  0  0
  9 26  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  2  0  0  0  0
 12 14  2  0  0  0  0
 13 27  1  0  0  0  0
 14 15  1  0  0  0  0
 14 28  1  0  0  0  0
 15 16  2  0  0  0  0
 15 29  1  0  0  0  0
 16 17  1  0  0  0  0
 16 30  1  0  0  0  0
 17 31  1  0  0  0  0
M  END

$$$$
D02AKP
  -OEChem-10101305032D

 37 38  0     0  0  0  0  0  0999 V2000
    2.8660   -4.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.2500    0.0000 N   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
    5.4641    3.2500    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
    2.8660   -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
    5.4641    4.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.2500    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
    3.7320   -1.7500    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
    7.1962    3.2500    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
    2.0000   -2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -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
    2.0000   -4.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3860    3.3326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9875    2.6423    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    2.1300    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
    1.4631   -1.4400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -1.4400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951    1.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -0.0600    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
    6.3301    5.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -3.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -3.0600    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
    1.6900   -4.2131    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -5.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   -5.2869    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  8  2  0  0  0  0
  3 12  2  0  0  0  0
  4  5  1  0  0  0  0
  4  8  1  0  0  0  0
  4 28  1  0  0  0  0
  5 12  1  0  0  0  0
  5 29  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
  6 23  1  0  0  0  0
  7 10  2  0  0  0  0
  7 11  1  0  0  0  0
  9 12  1  0  0  0  0
  9 13  2  0  0  0  0
  9 14  1  0  0  0  0
 10 16  1  0  0  0  0
 10 24  1  0  0  0  0
 11 17  2  0  0  0  0
 11 25  1  0  0  0  0
 13 18  1  0  0  0  0
 13 26  1  0  0  0  0
 14 19  2  0  0  0  0
 14 27  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 30  1  0  0  0  0
 17 20  1  0  0  0  0
 17 31  1  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
 21 35  1  0  0  0  0
 21 36  1  0  0  0  0
 21 37  1  0  0  0  0
M  END

$$$$
D02ALI
  -OEChem-10101305022D

 83 85  0     1  0  0  0  0  0999 V2000
    9.1200   -0.4330    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   10.1200   -0.4330    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.1200   -0.4330    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6112    0.0330    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6200    3.8971    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3880    1.2990    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6200   -1.2990    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1200    3.0311    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6200   -6.4952    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1200   -2.1651    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.6200    2.1651    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.6200    0.4330    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    6.1200   -3.8971    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   10.6200    0.4330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6200   -1.2990    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.1200    1.2990    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    9.5263   -1.7217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8788   -2.2650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3271   -0.2741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5859    0.6918    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.1200    3.0311    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   10.1200    3.0311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.1200   -3.8971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1200    4.7631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6200    5.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1200   -3.8971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6200   -4.7631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 28 14  1  6  0  0  0
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 36 40  2  0  0  0  0
 36 75  1  0  0  0  0
 37 42  1  0  0  0  0
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 38 43  2  0  0  0  0
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 39 41  2  0  0  0  0
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 40 41  1  0  0  0  0
 40 79  1  0  0  0  0
 41 80  1  0  0  0  0
 42 44  2  0  0  0  0
 42 81  1  0  0  0  0
 43 44  1  0  0  0  0
 43 82  1  0  0  0  0
M  END

$$$$
D02ALK
  -OEChem-10101305022D

 28 30  0     0  0  0  0  0  0999 V2000
    8.9942    1.7568    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.7673    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    4.5981    0.2327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.5981    1.2327    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
    7.2241   -0.3020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2241    1.7673    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
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  1 12  1  0  0  0  0
  1 28  1  0  0  0  0
  2 15  1  0  0  0  0
  2 17  2  0  0  0  0
  3  4  2  0  0  0  0
  3  6  1  0  0  0  0
  3 10  1  0  0  0  0
  4  7  1  0  0  0  0
  4 11  1  0  0  0  0
  5  6  2  0  0  0  0
  5  8  1  0  0  0  0
  5  9  1  0  0  0  0
  6 18  1  0  0  0  0
  7  8  2  0  0  0  0
  7 19  1  0  0  0  0
  8 20  1  0  0  0  0
  9 14  1  0  0  0  0
  9 15  2  0  0  0  0
 10 13  2  0  0  0  0
 10 21  1  0  0  0  0
 11 12  2  0  0  0  0
 11 22  1  0  0  0  0
 12 13  1  0  0  0  0
 13 23  1  0  0  0  0
 14 16  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
 16 26  1  0  0  0  0
 17 27  1  0  0  0  0
M  END

$$$$
D02ALQ
  -OEChem-10191521512D

 46 46  0     0  0  0  0  0  0999 V2000
    2.8660    1.8100    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
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    3.7320    0.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.5981    3.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.5981    2.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3660   -1.0560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3660    0.6760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.3100    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
    5.4641    0.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.1962   -1.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.5981    3.4300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1  9  1  0  0  0  0
  1 43  1  0  0  0  0
  2 21  2  0  0  0  0
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 10 28  1  0  0  0  0
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 14 32  1  0  0  0  0
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 15 33  1  0  0  0  0
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 16 18  2  0  0  0  0
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 19 44  1  0  0  0  0
 20 21  1  0  0  0  0
 20 45  1  0  0  0  0
 21 22  1  0  0  0  0
M  END

$$$$
D02ANE
  -OEChem-10101305022D

 31 34  0     1  0  0  0  0  0999 V2000
    2.4067    0.5656    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    3.4013    0.4610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.4752    0.9829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2072   -0.0171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.3973   -2.1001    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2200   -1.6252    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0179    0.5258    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4013    1.0810    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -0.0380    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6356   -0.8496    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0967    1.1025    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3412   -1.1371    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9383    1.2929    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3412    2.1029    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0940   -1.1717    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0940    2.1375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5430   -0.3500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5430    1.3158    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1  6  1  0  0  0  0
  1 24  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  7  1  0  0  0  0
  3  4  1  0  0  0  0
  3  6  1  0  0  0  0
  3 17  1  0  0  0  0
  4 18  1  0  0  0  0
  4 19  1  0  0  0  0
  5 20  1  0  0  0  0
  5 21  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
  7  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 25  1  0  0  0  0
  9 11  2  0  0  0  0
  9 26  1  0  0  0  0
 10 12  1  0  0  0  0
 10 13  2  0  0  0  0
 11 12  1  0  0  0  0
 11 27  1  0  0  0  0
 12 14  2  0  0  0  0
 13 15  1  0  0  0  0
 13 28  1  0  0  0  0
 14 16  1  0  0  0  0
 14 29  1  0  0  0  0
 15 16  2  0  0  0  0
 15 30  1  0  0  0  0
 16 31  1  0  0  0  0
M  END

$$$$
D02ANG
  -OEChem-10101305032D

 18 18  0     1  0  0  0  0  0999 V2000
    6.4150    0.7397    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.4608   -0.1603    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6197    1.1269    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9150   -0.7992    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.6751   -0.5204    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1060   -0.2114    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.4150    0.7397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1550   -0.5204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7240   -0.2114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4118    0.1487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9730   -1.0509    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4798    1.3563    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8086    0.8686    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6664   -0.9021    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4460   -1.0678    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1358   -0.1056    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8040   -1.1269    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.2546    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
  2 10  1  0  0  0  0
  2 18  1  0  0  0  0
  3 10  2  0  0  0  0
  4  6  1  0  0  0  0
  4  9  2  0  0  0  0
  5  9  1  0  0  0  0
  5 16  1  0  0  0  0
  5 17  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 12  1  0  0  0  0
  7 13  1  0  0  0  0
  8 10  1  0  0  0  0
  8 14  1  0  0  0  0
  8 15  1  0  0  0  0
M  END

$$$$
D02ANL
  -OEChem-10101305022D

 30 30  0     1  0  0  0  0  0999 V2000
    4.5981   -0.4050    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.9050    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    3.5950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    2.0950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.5950    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    2.0950    0.0000 C   0  0  3  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   -0.9050    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
    6.3301    2.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.4050    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
    2.8660   -3.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -3.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6762    0.5124    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0747    1.2027    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    2.7150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3860    1.1776    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9875    0.4873    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5200   -0.3224    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1215   -1.0127    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    3.2150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0611    2.2850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -2.0950    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -2.0950    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -3.7150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -4.5250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    3.9050    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 14  1  0  0  0  0
  3 11  1  0  0  0  0
  3 30  1  0  0  0  0
  4 11  2  0  0  0  0
  5  7  1  0  0  0  0
  5 24  1  0  0  0  0
  5 25  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6 17  1  0  0  0  0
  6 18  1  0  0  0  0
  7 11  1  0  0  0  0
  7 19  1  0  0  0  0
  8 20  1  0  0  0  0
  8 21  1  0  0  0  0
  9 10  1  0  0  0  0
  9 22  1  0  0  0  0
  9 23  1  0  0  0  0
 10 12  2  0  0  0  0
 10 13  1  0  0  0  0
 12 14  1  0  0  0  0
 12 26  1  0  0  0  0
 13 15  2  0  0  0  0
 13 27  1  0  0  0  0
 14 16  2  0  0  0  0
 15 16  1  0  0  0  0
 15 28  1  0  0  0  0
 16 29  1  0  0  0  0
M  END

$$$$
D02ANZ
  -OEChem-10191522352D

 88 89  0     1  0  0  0  0  0999 V2000
    7.7331   -4.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    4.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    8.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    7.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    4.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651   -4.5000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.3312   -5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3312   -6.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651   -3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1972   -6.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991   -5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1972   -7.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3312   -3.0000    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
    9.4651   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991   -6.0000    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
    9.4651   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0632   -8.0000    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
   10.3312   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331   -6.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0632   -9.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -6.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331   -7.5000    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
    6.0010   -6.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -8.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -7.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    5.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    6.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    5.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    7.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    6.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    9.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0021   -4.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9417   -5.1077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5432   -4.4174    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7206   -5.8923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1191   -6.5826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2531   -2.9174    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8546   -3.6077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8078   -6.6077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4092   -5.9174    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5866   -7.3923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9851   -8.0826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8681   -3.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9885    0.1077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   10.0757   -0.6077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   12.6738   -8.1077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.2753   -7.4174    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   10.8681   -1.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   11.4432   -9.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1 11  2  0  0  0  0
  2 28  2  0  0  0  0
  3 36  1  0  0  0  0
  3 39  1  0  0  0  0
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 10 48  1  0  0  0  0
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 36 38  2  0  0  0  0
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 37 84  1  0  0  0  0
 39 86  1  0  0  0  0
 39 87  1  0  0  0  0
 39 88  1  0  0  0  0
M  END

$$$$
D02AOT
  -OEChem-10101305022D

 73 78  0     0  0  0  0  0  0999 V2000
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   11.0818    0.2967    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8702    0.5544    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   12.5365    1.6683    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   10.5480   -1.0608    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   10.5480    4.3975    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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 37 71  1  0  0  0  0
 37 72  1  0  0  0  0
 37 73  1  0  0  0  0
 38 68  1  0  0  0  0
 38 69  1  0  0  0  0
 38 70  1  0  0  0  0
M  END

$$$$
D02APY
  -OEChem-04152109452D

 45 45  0     1  0  0  0  0  0999 V2000
    2.0000   -3.9050    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    2.0950    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.5950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.5950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.4050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.5981   -0.4050    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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 11  3  1  1  0  0  0
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 15 34  1  0  0  0  0
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 16 38  1  0  0  0  0
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 17 18  1  0  0  0  0
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 20 22  2  0  0  0  0
 20 43  1  0  0  0  0
 21 23  2  0  0  0  0
 22 23  1  0  0  0  0
 22 44  1  0  0  0  0
 23 45  1  0  0  0  0
M  END

$$$$
D02AQG
  -OEChem-10101305022D

 55 57  0     1  0  0  0  0  0999 V2000
   12.4583    1.7554    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.5981    0.2312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942    1.2312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.9282    1.7312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6882    1.7659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  3  1  0  0  0  0
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 10 12  1  0  0  0  0
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 11 37  1  0  0  0  0
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 13 16  2  0  0  0  0
 13 39  1  0  0  0  0
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 15 20  2  0  0  0  0
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 16 17  1  0  0  0  0
 17 41  1  0  0  0  0
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 18 42  1  0  0  0  0
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 20 23  1  0  0  0  0
 20 48  1  0  0  0  0
 21 24  2  0  0  0  0
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 24 26  1  0  0  0  0
 24 51  1  0  0  0  0
 25 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
M  END

$$$$
D02AQM
          03060700072D 1   1.00000     0.00000     0

 17 18  0     0  0            999 V2000
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    2.7434   -0.1855    0.0000 C   0  0  0  0  0  0           0  0  0
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    2.7351    1.2302    0.0000 N   0  0  3  0  0  0           0  0  0
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    3.3506    0.8797    0.0000 C   0  0  0  0  0  0           0  0  0
    3.9620    1.2374    0.0000 C   0  0  0  0  0  0           0  0  0
    4.5708    1.5958    0.0000 C   0  0  0  0  0  0           0  0  0
    0.9107   -1.9694    0.0000 O   0  0  0  0  0  0           0  0  0
  5  4  2  0     0  0
  8  9  1  0     0  0
  4  1  1  0     0  0
  9 10  2  0     0  0
 10  5  1  0     0  0
 10 11  1  0     0  0
  2  3  1  0     0  0
 11 12  1  0     0  0
  5  6  1  0     0  0
 12 13  1  0     0  0
  3  6  2  0     0  0
 12 14  1  0     0  0
  6  7  1  0     0  0
 14 15  1  0     0  0
  1  2  2  0     0  0
 15 16  3  0     0  0
  7  8  2  0     0  0
  3 17  1  0     0  0
M  END

$$$$
D02ARA
  -OEChem-10101305022D

 45 49  0     0  0  0  0  0  0999 V2000
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   10.3878    1.6480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  5  1  0  0  0  0
  1  7  1  0  0  0  0
  1  8  1  0  0  0  0
  2 12  1  0  0  0  0
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 10 12  2  0  0  0  0
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 13 16  2  0  0  0  0
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 14 34  1  0  0  0  0
 15 18  1  0  0  0  0
 16 20  1  0  0  0  0
 16 36  1  0  0  0  0
 17 21  2  0  0  0  0
 17 37  1  0  0  0  0
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 18 22  2  0  0  0  0
 19 24  2  0  0  0  0
 20 23  2  0  0  0  0
 20 38  1  0  0  0  0
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 25 26  2  0  0  0  0
 25 43  1  0  0  0  0
 26 44  1  0  0  0  0
 27 45  1  0  0  0  0
M  END

$$$$
D02ATA
  -OEChem-10101305022D

 46 45  0     0  0  0  0  0  0999 V2000
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    2.8660    0.9400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.5263    0.9400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  7 10  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 11  1  0  0  0  0
  9 12  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 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
 12 33  1  0  0  0  0
 12 34  1  0  0  0  0
 13 16  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
 16 18  3  0  0  0  0
 17 18  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
 19 20  1  0  0  0  0
 19 44  1  0  0  0  0
 19 45  1  0  0  0  0
M  END

$$$$
D02AVL
  -OEChem-04152122302D

 55 58  0     0  0  0  0  0  0999 V2000
   10.6883    0.5935    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -5.1853    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.6853    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    8.1192    0.9025    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942   -2.1853    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942   -1.1853    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -1.1853    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6092    3.5761    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -1.1853    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.8880    3.1149    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.5266    4.7786    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -2.6853    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.1853    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.0160    2.6626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4282    1.8536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7372    0.9025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    0.3147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6311    3.7840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4282    1.8536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -2.1853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1093    4.4421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -2.6853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282   -0.6853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282   -2.6853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4401    5.1853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -3.6853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282   -3.6853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -2.1853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -4.1853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9369    3.4239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.1853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603   -2.6853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.6853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.1853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.6853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.1853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4467    2.2166    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5300    3.0093    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0638    2.3551    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7259    4.5070    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5252   -0.8753    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5690    5.7917    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0169    2.5084    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6592   -3.9953    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651   -3.9953    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1285    4.0136    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3472    3.6155    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7453    2.8343    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -3.3053    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3503   -3.2222    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1972   -2.9953    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9703   -2.1484    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.3053    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -2.4953    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.0653    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 16  1  0  0  0  0
  2 29  1  0  0  0  0
  3 36  1  0  0  0  0
  4 17  1  0  0  0  0
  4 19  1  0  0  0  0
  5 24  1  0  0  0  0
  5 32  1  0  0  0  0
  6 23  2  0  0  0  0
  7 28  2  0  0  0  0
  8 14  1  0  0  0  0
  8 18  1  0  0  0  0
  8 21  1  0  0  0  0
  9 20  1  0  0  0  0
  9 23  1  0  0  0  0
  9 41  1  0  0  0  0
 10 18  1  0  0  0  0
 10 30  1  0  0  0  0
 10 43  1  0  0  0  0
 11 18  2  0  0  0  0
 11 25  1  0  0  0  0
 12 28  1  0  0  0  0
 12 31  1  0  0  0  0
 12 49  1  0  0  0  0
 13 31  2  0  0  0  0
 13 35  1  0  0  0  0
 14 15  1  0  0  0  0
 14 37  1  0  0  0  0
 14 38  1  0  0  0  0
 15 16  1  0  0  0  0
 15 19  2  0  0  0  0
 16 17  2  0  0  0  0
 17 23  1  0  0  0  0
 19 39  1  0  0  0  0
 20 22  2  0  0  0  0
 20 24  1  0  0  0  0
 21 25  2  0  0  0  0
 21 40  1  0  0  0  0
 22 26  1  0  0  0  0
 22 28  1  0  0  0  0
 24 27  2  0  0  0  0
 25 42  1  0  0  0  0
 26 29  2  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
 30 46  1  0  0  0  0
 30 47  1  0  0  0  0
 30 48  1  0  0  0  0
 31 33  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 34  2  0  0  0  0
 33 53  1  0  0  0  0
 34 36  1  0  0  0  0
 34 54  1  0  0  0  0
 35 36  2  0  0  0  0
 35 55  1  0  0  0  0
M  END

$$$$
D02AVN
  -OEChem-10101305022D

 28 29  0     0  0  0  0  0  0999 V2000
    2.0000   -2.5000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.0000    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
    6.3301    2.0000    0.0000 N   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    2.0000    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    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
    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
    4.5981   -1.0000    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
    3.7320   -2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0656    0.0251    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8626    0.0251    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3860    2.5826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9875    1.8923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5422    0.4174    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9407    1.1077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8626    2.9750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0656    2.9750    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
    2.3291   -0.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -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
    3.7320   -3.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  1  0  0  0  0
  2  9  2  0  0  0  0
  3  5  1  0  0  0  0
  3  6  1  0  0  0  0
  3  9  1  0  0  0  0
  4  7  1  0  0  0  0
  4  8  1  0  0  0  0
  4 24  1  0  0  0  0
  5  7  1  0  0  0  0
  5 16  1  0  0  0  0
  5 17  1  0  0  0  0
  6  8  1  0  0  0  0
  6 18  1  0  0  0  0
  6 19  1  0  0  0  0
  7 20  1  0  0  0  0
  7 21  1  0  0  0  0
  8 22  1  0  0  0  0
  8 23  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 11 13  1  0  0  0  0
 11 25  1  0  0  0  0
 12 14  2  0  0  0  0
 12 26  1  0  0  0  0
 13 15  2  0  0  0  0
 14 15  1  0  0  0  0
 14 27  1  0  0  0  0
 15 28  1  0  0  0  0
M  END

$$$$
D02AVZ
  -OEChem-04152109152D

 85 89  0     0  0  0  0  0  0999 V2000
    8.7746    1.0683    0.0000 Fe  0  2  0  0  0  0  0  0  0  0  0  0
    2.4934    0.1820    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9710   -5.1365    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5421   -1.1965    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5708   -4.1170    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3856    1.0946    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.8113   -0.2041    0.0000 N   0  5  0  0  0  0  0  0  0  0  0  0
    8.7795    2.3933    0.0000 N   0  5  0  0  0  0  0  0  0  0  0  0
   10.2353    1.0946    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8474    0.3659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0508   -0.8058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8474    1.8233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5717   -0.7741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0190    2.9950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8053    0.3976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7736    1.8550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5717    3.0267    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1331   -0.5200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9298    0.6199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3366   -1.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9298    1.5692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1014    2.7409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2860   -1.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5211   -0.5200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4894    2.7409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3048    3.9126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6927    1.6010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6927    0.6517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2542    3.9126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1339    0.0144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7480   -2.5001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4624   -1.2618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1339    2.1747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7860   -2.5578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7121    4.7180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4885    2.2066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4912    0.0497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8298    4.7303    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2116    0.4009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1538   -3.4141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4847   -1.0518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7694   -2.2135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4118    0.4402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4095    5.6377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8140   -1.7935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0987   -2.9552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4157   -0.2045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5652   -4.2225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1210   -2.7452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6630    3.1793    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9509   -0.9669    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9259    3.1812    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7986   -0.5071    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    5.5093    2.6681    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.7585    1.6813    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2491   -2.8678    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0960   -3.0947    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3229   -2.2477    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2115    5.0855    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2128    4.3506    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.8640    1.7133    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.9819    2.5821    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.1130    2.7000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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 25 52  1  0  0  0  0
 26 29  1  0  0  0  0
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 27 28  2  0  0  0  0
 27 36  1  0  0  0  0
 28 37  1  0  0  0  0
 29 38  1  0  0  0  0
 30 39  1  0  0  0  0
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 33 59  1  0  0  0  0
 34 60  1  0  0  0  0
 34 61  1  0  0  0  0
 34 62  1  0  0  0  0
 35 63  1  0  0  0  0
 35 64  1  0  0  0  0
 35 65  1  0  0  0  0
 36 66  1  0  0  0  0
 36 67  1  0  0  0  0
 36 68  1  0  0  0  0
 37 43  2  0  0  0  0
 37 69  1  0  0  0  0
 38 44  2  0  0  0  0
 38 70  1  0  0  0  0
 39 47  1  0  0  0  0
 39 71  1  0  0  0  0
 39 72  1  0  0  0  0
 40 48  1  0  0  0  0
 40 73  1  0  0  0  0
 40 74  1  0  0  0  0
 41 45  1  0  0  0  0
 41 75  1  0  0  0  0
 42 46  2  0  0  0  0
 42 76  1  0  0  0  0
 43 77  1  0  0  0  0
 43 78  1  0  0  0  0
 44 79  1  0  0  0  0
 44 80  1  0  0  0  0
 45 49  2  0  0  0  0
 45 81  1  0  0  0  0
 46 49  1  0  0  0  0
 46 82  1  0  0  0  0
 49 83  1  0  0  0  0
M  CHG  3   1   2   7  -1   8  -1
M  END

$$$$
D02AWT
  -OEChem-04152110222D

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M  END

$$$$
D02AYD
  -OEChem-10191521562D

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    9.8750    0.0671    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6720    0.0641    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.4154    3.0072    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.6184    3.0103    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.0851    0.4471    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.4863    1.1358    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8116    1.5173    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    6.7660   -0.0833    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6102    2.3814    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7660    3.2260    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 20  1  0  0  0  0
  1 21  1  0  0  0  0
  2 22  1  0  0  0  0
  2 25  1  0  0  0  0
  3  8  1  0  0  0  0
  3 15  1  0  0  0  0
  3 41  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 15  2  0  0  0  0
  5 26  1  0  0  0  0
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  7 25  2  0  0  0  0
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  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 28  1  0  0  0  0
  9 12  1  0  0  0  0
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 10 11  1  0  0  0  0
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 10 32  1  0  0  0  0
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 14 39  1  0  0  0  0
 14 40  1  0  0  0  0
 15 19  1  0  0  0  0
 16 20  1  0  0  0  0
 16 42  1  0  0  0  0
 16 43  1  0  0  0  0
 17 21  1  0  0  0  0
 17 44  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 23  1  0  0  0  0
 19 24  2  0  0  0  0
 20 48  1  0  0  0  0
 20 49  1  0  0  0  0
 21 50  1  0  0  0  0
 21 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
 24 25  1  0  0  0  0
 24 54  1  0  0  0  0
 26 55  1  0  0  0  0
 27 56  1  0  0  0  0
M  END

$$$$
D02AYI
  -OEChem-10101305022D

 32 33  0     0  0  0  0  0  0999 V2000
    4.2690   -1.6900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    2.3100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -3.6900    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -0.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    1.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -2.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -0.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -0.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    0.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    0.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -3.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    2.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    2.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    3.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    2.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    4.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.1909   -1.6074    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    5.6720    1.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6150   -3.7726    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0135   -3.0823    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    1.6900    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
    7.4040    2.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    4.9300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4040    4.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -4.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.3800    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  5  1  0  0  0  0
  2 12  1  0  0  0  0
  3 11  1  0  0  0  0
  3 31  1  0  0  0  0
  3 32  1  0  0  0  0
  4  7  2  0  0  0  0
  4  8  1  0  0  0  0
  5  9  2  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  6 18  1  0  0  0  0
  6 19  1  0  0  0  0
  7  9  1  0  0  0  0
  7 20  1  0  0  0  0
  8 10  2  0  0  0  0
  8 21  1  0  0  0  0
  9 22  1  0  0  0  0
 10 23  1  0  0  0  0
 11 24  1  0  0  0  0
 11 25  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 13 15  1  0  0  0  0
 13 26  1  0  0  0  0
 14 16  2  0  0  0  0
 14 27  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
 16 29  1  0  0  0  0
 17 30  1  0  0  0  0
M  END

$$$$
D02AYX
  -OEChem-10101305022D

 22 24  0     0  0  0  0  0  0999 V2000
    4.6660   -1.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4144    1.5346    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1962   -1.5241    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3321    0.0208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4260   -1.5346    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9061    0.5347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4260    0.5347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9061   -1.5346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.6660    1.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    7.8678    0.3329    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4643   -1.3328    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 12  2  0  0  0  0
  3 16  2  0  0  0  0
  4 12  1  0  0  0  0
  4 16  1  0  0  0  0
  4 21  1  0  0  0  0
  5 10  2  0  0  0  0
  5 16  1  0  0  0  0
  6  8  1  0  0  0  0
  6  9  1  0  0  0  0
  6 11  2  0  0  0  0
  7  9  2  0  0  0  0
  7 10  1  0  0  0  0
  7 12  1  0  0  0  0
  8 13  2  0  0  0  0
  9 17  1  0  0  0  0
 11 14  1  0  0  0  0
 11 18  1  0  0  0  0
 13 15  1  0  0  0  0
 13 19  1  0  0  0  0
 14 15  2  0  0  0  0
 14 20  1  0  0  0  0
 15 22  1  0  0  0  0
M  END

$$$$
D02BBA
  -OEChem-10191522082D

 77 82  0     0  0  0  0  0  0999 V2000
    2.0000    2.0634    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942   -1.4366    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -1.4366    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7404    1.8681    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.3241    1.0634    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    3.0634    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -1.4366    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -2.9366    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.0511    2.8186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0027    3.1260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4647    3.6286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0539    4.4366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.7404    0.2586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 13 48  1  0  0  0  0
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 16 50  1  0  0  0  0
 17 51  1  0  0  0  0
 18 20  1  0  0  0  0
 18 22  1  0  0  0  0
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 20 52  1  0  0  0  0
 21 27  2  0  0  0  0
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 29 63  1  0  0  0  0
 29 64  1  0  0  0  0
 30 61  1  0  0  0  0
 30 62  1  0  0  0  0
 31 65  1  0  0  0  0
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 33 34  1  0  0  0  0
 33 68  1  0  0  0  0
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 34 35  2  0  0  0  0
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 35 39  1  0  0  0  0
 37 38  2  0  0  0  0
 37 70  1  0  0  0  0
 38 40  1  0  0  0  0
 39 72  1  0  0  0  0
 39 73  1  0  0  0  0
 39 74  1  0  0  0  0
 40 75  1  0  0  0  0
 40 76  1  0  0  0  0
 40 77  1  0  0  0  0
M  END

$$$$
D02BBJ
  -OEChem-10101305022D

 31 33  0     0  0  0  0  0  0999 V2000
    6.0812   -0.8047    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
   10.6648    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0812    0.8047    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
    8.1648    0.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.2690   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.1648   -0.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8660   -0.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9748    0.5369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   11.4748   -1.4030    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7018   -0.5560    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
  1  4  1  0  0  0  0
  1  6  1  0  0  0  0
  2 16  1  0  0  0  0
  2 31  1  0  0  0  0
  3 13  1  0  0  0  0
  3 18  1  0  0  0  0
  3 27  1  0  0  0  0
  4  7  1  0  0  0  0
  4  8  2  0  0  0  0
  5  6  2  0  0  0  0
  5  8  1  0  0  0  0
  5  9  1  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
  8 19  1  0  0  0  0
  9 16  2  0  0  0  0
  9 20  1  0  0  0  0
 10 14  1  0  0  0  0
 10 21  1  0  0  0  0
 11 15  2  0  0  0  0
 11 22  1  0  0  0  0
 12 17  2  0  0  0  0
 12 23  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  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
 18 28  1  0  0  0  0
 18 29  1  0  0  0  0
 18 30  1  0  0  0  0
M  END

$$$$
D02BBN
  -OEChem-10101305022D

 29 30  0     1  0  0  0  0  0999 V2000
    4.6783   -1.0732    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2619   -2.0005    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2619   -0.2685    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2619    1.4636    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2619   -0.2685    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.2619   -0.2685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7619   -1.1345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7619    0.5976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783    0.5363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.2315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.7685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.7315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7619   -1.1345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.2685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.2315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.7685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9519   -0.8054    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1793   -1.3466    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1  6  1  0  0  0  0
  1 11  1  0  0  0  0
  2 13  1  0  0  0  0
  2 29  1  0  0  0  0
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  4  8  1  0  0  0  0
  4 25  1  0  0  0  0
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  5  6  1  0  0  0  0
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  5  8  1  0  0  0  0
  5 17  1  0  0  0  0
  6  9  2  0  0  0  0
  7 13  1  0  0  0  0
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  8 20  1  0  0  0  0
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  9 10  1  0  0  0  0
  9 22  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  2  0  0  0  0
 11 14  2  0  0  0  0
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 12 23  1  0  0  0  0
 14 16  1  0  0  0  0
 14 24  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

$$$$
D02BBT
  -OEChem-10101305032D

 34 35  0     0  0  0  0  0  0999 V2000
    2.0000   -2.0000    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    4.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.5981   -0.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    6.3301    2.5000    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    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.5981    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
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    4.5981   -2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.5981   -3.5000    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
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  8 11  1  0  0  0  0
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 10 25  1  0  0  0  0
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 11 27  1  0  0  0  0
 11 28  1  0  0  0  0
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 13 14  1  0  0  0  0
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 15 32  1  0  0  0  0
 17 18  1  0  0  0  0
 17 33  1  0  0  0  0
 18 34  1  0  0  0  0
M  END

$$$$
D02BCM
  -OEChem-10101305032D

 40 43  0     0  0  0  0  0  0999 V2000
    3.6845    1.4921    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    7.1962    0.3988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.6012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    1.3988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  7 12  1  0  0  0  0
  8  9  1  0  0  0  0
  9 11  1  0  0  0  0
  9 13  2  0  0  0  0
 10 15  2  0  0  0  0
 10 16  1  0  0  0  0
 11 14  2  0  0  0  0
 12 17  2  0  0  0  0
 13 18  1  0  0  0  0
 13 29  1  0  0  0  0
 14 19  1  0  0  0  0
 14 30  1  0  0  0  0
 15 20  1  0  0  0  0
 15 31  1  0  0  0  0
 16 21  2  0  0  0  0
 16 32  1  0  0  0  0
 17 22  1  0  0  0  0
 17 33  1  0  0  0  0
 18 19  2  0  0  0  0
 18 34  1  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 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 39  1  0  0  0  0
 24 40  1  0  0  0  0
M  END

$$$$
D02BDL
  -OEChem-04152122252D

 29 30  0     0  0  0  0  0  0999 V2000
    2.0000    0.2500    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
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    2.8660   -0.2500    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
    2.8660   -1.2500    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
    2.0000   -1.7500    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
    3.7320   -1.7500    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
    2.0000   -2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.7500    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
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    6.3301    2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.4631   -3.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.2690   -3.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8660   -3.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    3.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  2  0  0  0  0
  2  5  2  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3 18  1  0  0  0  0
  3 19  1  0  0  0  0
  4  6  1  0  0  0  0
  5  7  1  0  0  0  0
  6  8  2  0  0  0  0
  6 10  1  0  0  0  0
  7  9  2  0  0  0  0
  7 11  1  0  0  0  0
  8 12  1  0  0  0  0
  8 20  1  0  0  0  0
  9 13  1  0  0  0  0
  9 21  1  0  0  0  0
 10 14  2  0  0  0  0
 10 22  1  0  0  0  0
 11 15  2  0  0  0  0
 11 23  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 25  1  0  0  0  0
 14 16  1  0  0  0  0
 14 26  1  0  0  0  0
 15 17  1  0  0  0  0
 15 27  1  0  0  0  0
 16 28  1  0  0  0  0
 17 29  1  0  0  0  0
M  END

$$$$
D02BEJ
  -OEChem-10101305022D

 30 32  0     0  0  0  0  0  0999 V2000
    3.8611   -0.1550    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.9380   -3.7428    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.6701   -4.7428    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.8080    4.2412    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1701    0.7961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6701   -0.7428    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5823    1.6051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6701   -1.7428    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4791   -0.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1701    0.7961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9890    2.5186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5878    1.5006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8041   -2.2428    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5361   -2.2428    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4013    3.3276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.3096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.5361   -3.2428    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4067    3.2231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6701   -3.7428    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0688   -0.3466    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5345    1.2976    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6056    2.5834    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2671   -1.9328    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.3356    0.9342    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3834    2.2448    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0730   -3.5528    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0423    3.7247    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4436    4.7428    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1  6  1  0  0  0  0
  2 17  1  0  0  0  0
  3 20  1  0  0  0  0
  4 15  1  0  0  0  0
  4 30  1  0  0  0  0
  5  7  1  0  0  0  0
  5 10  2  0  0  0  0
  6  8  1  0  0  0  0
  6  9  2  0  0  0  0
  7 11  2  0  0  0  0
  7 12  1  0  0  0  0
  8 13  2  0  0  0  0
  8 14  1  0  0  0  0
  9 10  1  0  0  0  0
  9 21  1  0  0  0  0
 10 22  1  0  0  0  0
 11 15  1  0  0  0  0
 11 23  1  0  0  0  0
 12 16  2  0  0  0  0
 12 26  1  0  0  0  0
 13 17  1  0  0  0  0
 13 24  1  0  0  0  0
 14 18  2  0  0  0  0
 14 25  1  0  0  0  0
 15 19  2  0  0  0  0
 16 19  1  0  0  0  0
 16 27  1  0  0  0  0
 17 20  2  0  0  0  0
 18 20  1  0  0  0  0
 18 28  1  0  0  0  0
 19 29  1  0  0  0  0
M  END

$$$$
D02BER
  -OEChem-10191522372D

 65 68  0     1  0  0  0  0  0999 V2000
    7.8080   -5.5874    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1459    3.2513    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5447   -1.1790    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    6.1459    0.2513    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.6681   -1.6972    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.4093   -0.7313    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.9634   -2.7419    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1459    1.2513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0123   -1.5391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2033   -2.9404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1863   -2.1126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0120    0.7513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9270   -2.6632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1168   -2.5337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2799    1.7513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -0.3403    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0785   -3.9745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9689   -3.1328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2799    2.7513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9164   -4.5932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8680   -4.1696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4139    3.2513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5479    4.7513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4139    4.2513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6343    4.3446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4433    5.7458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9652    5.0877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4652    5.9537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1893    0.0897    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3452   -3.2305    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5212   -3.1764    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3580    1.8339    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8486   -2.6326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    7.5489    1.0613    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3220    0.2144    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5258   -2.5027    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    5.3281   -2.8237    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0679    1.1687    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6693    1.8590    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.6624    0.1797    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5200   -0.0026    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    9.3710   -4.5321    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    3.8033    3.3590    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.9443    3.8076    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    8.3082   -5.9537    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 20  1  0  0  0  0
  1 65  1  0  0  0  0
  2 19  2  0  0  0  0
  3  6  1  0  0  0  0
  3 11  1  0  0  0  0
  3 16  1  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
  4 12  1  0  0  0  0
  5  7  1  0  0  0  0
  5 10  1  0  0  0  0
  5 13  1  1  0  0  0
  6  9  1  0  0  0  0
  6 29  1  6  0  0  0
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  7 30  1  0  0  0  0
  7 31  1  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
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 10 14  2  0  0  0  0
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 11 36  1  0  0  0  0
 11 37  1  0  0  0  0
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 13 41  1  0  0  0  0
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 13 43  1  0  0  0  0
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 15 19  1  0  0  0  0
 15 44  1  0  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 20  2  0  0  0  0
 17 49  1  0  0  0  0
 18 21  2  0  0  0  0
 18 50  1  0  0  0  0
 19 22  1  0  0  0  0
 20 21  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 24  1  0  0  0  0
 23 25  1  0  0  0  0
 23 26  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
 25 27  1  0  0  0  0
 25 57  1  0  0  0  0
 25 58  1  0  0  0  0
 26 28  1  0  0  0  0
 26 59  1  0  0  0  0
 26 60  1  0  0  0  0
 27 28  1  0  0  0  0
 27 61  1  0  0  0  0
 27 62  1  0  0  0  0
 28 63  1  0  0  0  0
 28 64  1  0  0  0  0
M  END

$$$$
D02BFK
  -OEChem-10101305022D

 23 24  0     0  0  0  0  0  0999 V2000
    2.0000   -3.6739    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.2320    2.8649    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.9230    1.9139    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.6739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2320    2.8649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.3261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.1739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.1739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.1739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -3.1739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.6739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5411    1.9139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6443    3.6739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.3291   -1.8639    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7320   -4.2939    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.2798    4.1755    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1427    3.3095    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  2  5  1  0  0  0  0
  2 12  1  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 14  1  0  0  0  0
  5 13  1  0  0  0  0
  6 12  2  0  0  0  0
  6 15  1  0  0  0  0
  7  9  1  0  0  0  0
  7 16  1  0  0  0  0
  8 10  2  0  0  0  0
  8 17  1  0  0  0  0
  9 11  2  0  0  0  0
 10 11  1  0  0  0  0
 10 18  1  0  0  0  0
 11 20  1  0  0  0  0
 12 19  1  0  0  0  0
 13 21  1  0  0  0  0
 13 22  1  0  0  0  0
 13 23  1  0  0  0  0
 14 15  3  0  0  0  0
M  END

$$$$
D02BGA
  -OEChem-10101305032D

 24 26  0     0  0  0  0  0  0999 V2000
    4.6783   -1.0821    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783    0.5274    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2619   -0.2774    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.2774    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.2226    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8660    1.7226    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.7774    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2619   -0.2774    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.2226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9889   -2.0326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.8007    0.2226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3996   -2.2252    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    5.5783   -1.8400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    3.4030    2.0326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3023   -1.1418    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3023    0.5871    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 12  1  0  0  0  0
  2 10  2  0  0  0  0
  2 11  1  0  0  0  0
  3  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3 10  1  0  0  0  0
  4  9  1  0  0  0  0
  4 14  2  0  0  0  0
  5 13  2  0  0  0  0
  5 14  1  0  0  0  0
  6 15  2  0  0  0  0
  7 16  2  0  0  0  0
  8 13  1  0  0  0  0
  8 21  1  0  0  0  0
  8 22  1  0  0  0  0
  9 11  2  0  0  0  0
 11 13  1  0  0  0  0
 12 17  1  0  0  0  0
 12 18  1  0  0  0  0
 12 19  1  0  0  0  0
 14 20  1  0  0  0  0
 15 16  1  0  0  0  0
 15 23  1  0  0  0  0
 16 24  1  0  0  0  0
M  END

$$$$
D02BGR
  -OEChem-10191521182D

 49 51  0     1  0  0  0  0  0999 V2000
    2.0000   -4.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.7500    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
    4.5981   -2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -4.7500    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
    5.4641   -0.2500    0.0000 C   0  0  2  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
    5.4641   -3.2500    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
    6.3301   -2.7500    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
    6.3301    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
    7.1962    2.7500    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
    8.9282    2.7500    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
    9.7942    3.2500    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
    9.7942    4.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9441   -4.8326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3426   -4.1423    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2646   -2.2750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4675   -2.2750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4675   -5.2250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    1.7880   -2.6674    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3894   -3.3577    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0611   -1.4400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -3.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -1.4400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -3.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9081    0.7869    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0611    0.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2881   -0.2869    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
    7.7331    1.4400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6592    3.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    2.1300    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
   10.3312    2.9400    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
   10.3312    4.5600    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 17  2  0  0  0  0
  3  5  1  0  0  0  0
  3  6  1  0  0  0  0
  3  7  1  0  0  0  0
 11  4  1  6  0  0  0
  4 17  1  0  0  0  0
  4 42  1  0  0  0  0
  5  8  1  0  0  0  0
  5 28  1  0  0  0  0
  5 29  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 12  1  0  0  0  0
  7 13  2  0  0  0  0
  8 32  1  0  0  0  0
  8 33  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 12  2  0  0  0  0
 10 14  1  0  0  0  0
 11 16  1  0  0  0  0
 11 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
 14 15  2  0  0  0  0
 14 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  1  0  0  0  0
 18 19  2  0  0  0  0
 18 43  1  0  0  0  0
 19 20  1  0  0  0  0
 19 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 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
 23 47  1  0  0  0  0
 24 25  1  0  0  0  0
 24 48  1  0  0  0  0
 25 49  1  0  0  0  0
M  END

$$$$
D02BIK
  -OEChem-10101305032D

 50 52  0     0  0  0  0  0  0999 V2000
   10.6603   -1.3100    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   11.1603   -0.4440    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1603   -2.1760    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.1244   -1.3100    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
   11.5263   -1.8100    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.1900    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    2.1900    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.8100    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.1900    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.8100    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942   -0.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    0.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3923   -1.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942    0.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282   -1.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.0622   -0.8100    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
   13.2583   -1.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    1.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.6900    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
    3.7320   -1.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9904   -1.8100    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
    3.7320   -2.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5263   -2.4300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   11.9938   -0.8351    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3312    0.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282   -1.9300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   12.8598   -2.2849    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.6569   -2.2849    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    5.1350   -1.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.6804   -2.3469    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.5273   -2.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.3004   -1.2731    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8660   -0.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  1  3  2  0  0  0  0
  1  6  1  0  0  0  0
  1 12  1  0  0  0  0
  4 20  1  0  0  0  0
  4 26  1  0  0  0  0
  5 24  2  0  0  0  0
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  6 31  1  0  0  0  0
  7 19  1  0  0  0  0
  7 22  2  0  0  0  0
  8 21  1  0  0  0  0
  8 23  2  0  0  0  0
  9 24  1  0  0  0  0
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  9 41  1  0  0  0  0
 10 23  1  0  0  0  0
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 11 28  1  0  0  0  0
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 13 17  2  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 32  1  0  0  0  0
 14 33  1  0  0  0  0
 15 17  1  0  0  0  0
 15 34  1  0  0  0  0
 16 18  2  0  0  0  0
 16 35  1  0  0  0  0
 17 36  1  0  0  0  0
 18 37  1  0  0  0  0
 19 21  2  0  0  0  0
 20 38  1  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 24  1  0  0  0  0
 25 27  1  0  0  0  0
 25 28  2  0  0  0  0
 26 42  1  0  0  0  0
 26 43  1  0  0  0  0
 26 44  1  0  0  0  0
 27 29  2  0  0  0  0
 27 47  1  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

$$$$
D02BJB
  -OEChem-10191522382D

 77 79  0     1  0  0  0  0  0999 V2000
   13.1962    4.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   12.1962    5.7320    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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 16  8  1  1  0  0  0
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 29 30  2  0  0  0  0
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 31 68  1  0  0  0  0
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 36 74  1  0  0  0  0
 37 75  1  0  0  0  0
 37 76  1  0  0  0  0
 37 77  1  0  0  0  0
M  CHG  1   7   1
M  END

$$$$
D02BLC
  -OEChem-10191522222D

 23 22  0     1  0  0  0  0  0999 V2000
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  1  8  1  0  0  0  0
  1 22  1  0  0  0  0
  2 10  1  0  0  0  0
  2 23  1  0  0  0  0
  3 10  2  0  0  0  0
  4  9  1  0  0  0  0
  4 20  1  0  0  0  0
  4 21  1  0  0  0  0
  5  6  1  0  0  0  0
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  6  8  1  0  0  0  0
  6 13  1  0  0  0  0
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  7  9  1  0  0  0  0
  7 15  1  0  0  0  0
  7 16  1  0  0  0  0
  8 10  1  0  0  0  0
  8 17  1  0  0  0  0
  9 18  1  0  0  0  0
  9 19  1  0  0  0  0
M  END

$$$$
D02BMV
  -OEChem-10101305032D

 22 22  0     0  0  0  0  0  0999 V2000
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  1  3  2  0  0  0  0
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 10 11  2  0  0  0  0
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 12 20  1  0  0  0  0
 12 21  1  0  0  0  0
 13 14  3  0  0  0  0
 14 22  1  0  0  0  0
M  END

$$$$
D02BNC
  -OEChem-10101305022D

 27 29  0     0  0  0  0  0  0999 V2000
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  6  7  2  0  0  0  0
  6  9  1  0  0  0  0
  6 12  1  0  0  0  0
  8  9  2  0  0  0  0
  8 19  1  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 14  1  0  0  0  0
 11 22  1  0  0  0  0
 12 16  2  0  0  0  0
 12 23  1  0  0  0  0
 13 15  1  0  0  0  0
 13 18  1  0  0  0  0
 14 15  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
 16 26  1  0  0  0  0
 17 27  1  0  0  0  0
M  END

$$$$
D02BOG
  -OEChem-10101305032D

 51 52  0     1  0  0  0  0  0999 V2000
    2.8660    1.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -5.0000    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
    4.5981   -1.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    2.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.0000    0.0000 C   0  0  1  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  1  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    3.5000    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    4.0000    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    2.5000    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
    2.8660    5.0000    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
    3.7320   -2.5000    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
    4.5981    5.0000    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
    2.0000   -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
    2.8660   -4.0000    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
    5.1350    1.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1215    2.6077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5200    1.9174    0.0000 H   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
    2.6540   -0.4174    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2554   -1.1077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    0.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    3.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -0.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291    5.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -2.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -2.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900    4.0369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    3.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100    2.9631    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    5.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    6.1200    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
    4.2690   -3.8100    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
    6.3301    1.3800    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
  1 12  2  0  0  0  0
  2 15  2  0  0  0  0
  3 25  1  0  0  0  0
  3 26  1  0  0  0  0
  7  4  1  1  0  0  0
  4 12  1  0  0  0  0
  4 33  1  0  0  0  0
  9  5  1  1  0  0  0
  5 35  1  0  0  0  0
  5 36  1  0  0  0  0
  6 15  1  0  0  0  0
  6 47  1  0  0  0  0
  6 48  1  0  0  0  0
  7  8  1  0  0  0  0
  7 15  1  0  0  0  0
  7 27  1  0  0  0  0
  8 11  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 12  1  0  0  0  0
  9 30  1  0  0  0  0
 10 14  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 16  2  0  0  0  0
 13 17  2  0  0  0  0
 13 20  1  0  0  0  0
 14 18  2  0  0  0  0
 14 19  1  0  0  0  0
 16 21  1  0  0  0  0
 16 34  1  0  0  0  0
 17 22  1  0  0  0  0
 17 37  1  0  0  0  0
 18 23  1  0  0  0  0
 18 38  1  0  0  0  0
 19 24  2  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
 21 22  2  0  0  0  0
 21 43  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 25  1  0  0  0  0
 24 46  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
M  END

$$$$
D02BOW
  -OEChem-10191522232D

 38 37  0     0  0  0  0  0  0999 V2000
    2.5000    0.6200    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.0115    0.0000 Cl  0  5  0  0  0  0  0  0  0  0  0  0
    5.0981    5.1200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9641    3.6200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8301    9.1200    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    4.2320    3.6200    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9641    8.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6962    9.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    9.9860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3301    8.2540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9641    7.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9641    6.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9641    5.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2320    2.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3660    2.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0981    2.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0981    4.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3660    1.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0981    1.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2320    0.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7520    9.2026    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3535    8.5123    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0062    9.0831    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2331    9.9300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3862   10.1569    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   10.2960    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0201   10.5230    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7932    9.6760    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7932    7.9440    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6401    7.7170    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8671    8.5640    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1762    5.0374    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5747    5.7277    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8291    2.4300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6350    2.4300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6951    3.9300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6350    0.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2320    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 18  1  0  0  0  0
  3 13  1  0  0  0  0
  3 17  1  0  0  0  0
  4 17  2  0  0  0  0
  5  7  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 14  1  0  0  0  0
  6 17  1  0  0  0  0
  6 36  1  0  0  0  0
  7 11  1  0  0  0  0
  7 21  1  0  0  0  0
  7 22  1  0  0  0  0
  8 23  1  0  0  0  0
  8 24  1  0  0  0  0
  8 25  1  0  0  0  0
  9 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
 10 31  1  0  0  0  0
 11 12  3  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
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 15 18  1  0  0  0  0
 15 34  1  0  0  0  0
 16 19  2  0  0  0  0
 16 35  1  0  0  0  0
 18 20  2  0  0  0  0
 19 20  1  0  0  0  0
 19 37  1  0  0  0  0
 20 38  1  0  0  0  0
M  CHG  2   2  -1   5   1
M  END

$$$$
D02BPI
  -OEChem-10111523552D

 32 34  0     0  0  0  0  0  0999 V2000
    7.1962    1.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -4.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    4.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -4.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    2.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -2.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -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
    5.4641   -1.0000    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
    6.3301    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
    4.5981    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
    4.5981   -2.5000    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
    4.5981   -3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    2.5000    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   -3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    3.5000    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
    7.1962    4.0000    0.0000 C   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
    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
    4.0611    0.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -4.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991    2.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -2.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    4.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 18  1  0  0  0  0
  2 17  1  0  0  0  0
  3 22  1  0  0  0  0
  4 21  1  0  0  0  0
  5 10  1  0  0  0  0
  5 16  1  0  0  0  0
  6  9  1  0  0  0  0
  6 15  1  0  0  0  0
  7 15  1  0  0  0  0
  7 23  2  0  0  0  0
  8 16  1  0  0  0  0
  8 24  2  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
 10 13  1  0  0  0  0
 11 12  1  0  0  0  0
 11 26  1  0  0  0  0
 12 25  1  0  0  0  0
 13 14  2  0  0  0  0
 13 28  1  0  0  0  0
 14 27  1  0  0  0  0
 15 17  2  0  0  0  0
 16 18  2  0  0  0  0
 17 20  1  0  0  0  0
 18 19  1  0  0  0  0
 19 22  2  0  0  0  0
 19 30  1  0  0  0  0
 20 21  2  0  0  0  0
 20 29  1  0  0  0  0
 21 23  1  0  0  0  0
 22 24  1  0  0  0  0
 23 31  1  0  0  0  0
 24 32  1  0  0  0  0
M  END

$$$$
D02BPT
  -OEChem-04152122242D

 26 27  0     1  0  0  0  0  0999 V2000
    2.9511    1.3184    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    4.6261   -1.7694    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7601    0.7306    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.5691    1.3184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2601    2.2694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2601    2.2694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7601   -0.2694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.0094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8940   -0.7694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6261   -0.7694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8940   -1.7694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7601   -2.2694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3125    0.4491    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8791    0.7814    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1355    1.5705    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8665    2.3983    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1953    2.8860    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3249    2.8860    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6536    2.3983    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8084    1.5990    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4103    0.8178    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1916    0.4197    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3571   -0.4594    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1630   -0.4594    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3571   -2.0794    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7601   -2.8894    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1  6  1  0  0  0  0
  1  8  1  0  0  0  0
  2 10  1  0  0  0  0
  2 12  2  0  0  0  0
  3  4  1  0  0  0  0
  3  7  1  0  0  0  0
  3 13  1  0  0  0  0
  4  5  1  0  0  0  0
  4 14  1  0  0  0  0
  4 15  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 18  1  0  0  0  0
  6 19  1  0  0  0  0
  7  9  1  0  0  0  0
  7 10  2  0  0  0  0
  8 20  1  0  0  0  0
  8 21  1  0  0  0  0
  8 22  1  0  0  0  0
  9 11  2  0  0  0  0
  9 23  1  0  0  0  0
 10 24  1  0  0  0  0
 11 12  1  0  0  0  0
 11 25  1  0  0  0  0
 12 26  1  0  0  0  0
M  END

$$$$
D02BPV
  -OEChem-10101305022D

 21 21  0     0  0  0  0  0  0999 V2000
    2.0000    1.4050    0.0000 Cl  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
    6.3301   -2.0950    0.0000 N   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   -0.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.5950    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
    3.7320   -0.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.0950    0.0000 C   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
    6.0747   -0.7027    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6762   -0.0124    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8535   -1.4873    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2520   -2.1776    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    1.2150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.2150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -0.4050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -2.7150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -1.7850    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
  1 11  1  0  0  0  0
  2  9  1  0  0  0  0
  2 21  1  0  0  0  0
  3  6  1  0  0  0  0
  3 19  1  0  0  0  0
  3 20  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4 12  1  0  0  0  0
  4 13  1  0  0  0  0
  5  7  2  0  0  0  0
  5  8  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 16  1  0  0  0  0
  8 10  2  0  0  0  0
  8 17  1  0  0  0  0
  9 11  2  0  0  0  0
 10 11  1  0  0  0  0
 10 18  1  0  0  0  0
M  END

$$$$
D02BTV
  -OEChem-10101305032D

 37 37  0     1  0  0  0  0  0999 V2000
    2.8660   -0.5600    0.0000 S   0  0  3  0  0  0  0  0  0  0  0  0
    2.0000   -0.0600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.9400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    2.9400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.4400    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.0600    0.0000 C   0  0  3  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
    5.4641   -0.0600    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
    6.3301   -0.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.5600    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
    7.1962   -0.0600    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
    3.7320   -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
    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
    3.7320   -0.6800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1996   -1.0350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9966   -1.0350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8626    0.4149    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0656    0.4149    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5200    1.5226    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1215    0.8323    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9316   -1.0350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7287   -1.0350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5062   -0.5969    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    0.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8862    0.4769    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
    4.2690   -1.7500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0611    2.7500    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
    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
    5.4641    3.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  6  1  0  0  0  0
  1 11  1  0  0  0  0
  3 12  2  0  0  0  0
  4  5  1  0  0  0  0
  4 37  1  0  0  0  0
  5 12  1  0  0  0  0
  5 33  1  0  0  0  0
  6  7  1  0  0  0  0
  6  9  1  0  0  0  0
  6 19  1  0  0  0  0
  7  8  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 12  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
 10 26  1  0  0  0  0
 10 27  1  0  0  0  0
 11 14  2  0  0  0  0
 11 15  1  0  0  0  0
 13 28  1  0  0  0  0
 13 29  1  0  0  0  0
 13 30  1  0  0  0  0
 14 16  1  0  0  0  0
 14 31  1  0  0  0  0
 15 17  2  0  0  0  0
 15 32  1  0  0  0  0
 16 18  2  0  0  0  0
 16 34  1  0  0  0  0
 17 18  1  0  0  0  0
 17 35  1  0  0  0  0
 18 36  1  0  0  0  0
M  END

$$$$
D02BUW
  -OEChem-10101305022D

 21 21  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
    6.3301    2.0950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    3.0950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.4050    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.4050    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.0950    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
    3.7320    0.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.5950    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
    4.5981   -0.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.4050    0.0000 C   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
    6.0010    0.2850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951    0.2850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -1.2150    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
    6.8671    1.7850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    3.4050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  1 19  1  0  0  0  0
  2 10  1  0  0  0  0
  2 20  1  0  0  0  0
  3 11  1  0  0  0  0
  3 21  1  0  0  0  0
  4 14  3  0  0  0  0
  5 15  3  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  6 12  1  0  0  0  0
  7 10  1  0  0  0  0
  7 16  1  0  0  0  0
  8  9  2  0  0  0  0
  8 17  1  0  0  0  0
  9 11  1  0  0  0  0
 10 11  2  0  0  0  0
 12 13  2  0  0  0  0
 12 18  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
M  END

$$$$
D02BVS
  -OEChem-10101305032D

102106  0     1  0  0  0  0  0999 V2000
    9.5397   -2.7747    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.5702   -6.9941    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9436   -5.7769    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4985   -4.1355    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0030   -1.5383    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5045   -0.6714    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5075    1.0624    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0000   -3.2720    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2972   -5.2388    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0030   -1.5348    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5135    4.5300    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0180    7.1272    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    9.5380   -3.7747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9866   -6.1893    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.5892   -2.4640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5702   -6.9941    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.2757   -5.0326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5380   -3.7764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8453   -4.7263    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.9866   -7.7988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.0090    1.9310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.5105    2.7979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.5075    1.0659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.5165    6.2620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5195    7.9941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0180    7.1254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.5990   -6.0931    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8423   -1.8981    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    7.8519   -7.5464    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5369   -4.3964    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1580   -3.7775    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5390   -3.1564    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   10.0359   -5.3163    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4353   -4.5357    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    5.8124   -1.8653    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1743   -5.3741    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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 51100  1  0  0  0  0
 51101  1  0  0  0  0
 51102  1  0  0  0  0
M  END

$$$$
D02BWQ
  -OEChem-10101305032D

 32 34  0     1  0  0  0  0  0999 V2000
    3.9639    2.9748    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783   -2.0243    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.2619   -1.2196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.7196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783   -0.4148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.9889    0.5357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.7196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  3 20  1  0  0  0  0
  4  6  1  0  0  0  0
  4  8  2  0  0  0  0
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  5 10  2  0  0  0  0
  6  9  2  0  0  0  0
  7 21  1  0  0  0  0
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 10 13  1  0  0  0  0
 10 26  1  0  0  0  0
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 15 30  1  0  0  0  0
 16 17  1  0  0  0  0
 16 31  1  0  0  0  0
 17 32  1  0  0  0  0
M  END

$$$$
D02BXA
  -OEChem-10101305022D

 29 30  0     0  0  0  0  0  0999 V2000
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    6.1808    0.1012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
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  2 12  2  0  0  0  0
  3  5  1  0  0  0  0
  3 14  1  0  0  0  0
  3 15  1  0  0  0  0
  4  6  1  0  0  0  0
  4 16  1  0  0  0  0
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  7  8  1  0  0  0  0
  7 22  1  0  0  0  0
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 10 11  1  0  0  0  0
 10 26  1  0  0  0  0
 11 13  2  0  0  0  0
 11 27  1  0  0  0  0
 12 13  1  0  0  0  0
 12 28  1  0  0  0  0
 13 29  1  0  0  0  0
M  END

$$$$
D02BXC
  -OEChem-10101305022D

 32 34  0     0  0  0  0  0  0999 V2000
    8.9942    1.2741    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    2.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 18 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

$$$$
D02BXG
  -OEChem-10101305022D

 33 35  0     0  0  0  0  0  0999 V2000
    4.6783   -0.7097    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.2619    1.0950    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  1  9  1  0  0  0  0
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 10 29  1  0  0  0  0
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 13 15  1  0  0  0  0
 13 30  1  0  0  0  0
 14 16  1  0  0  0  0
 14 31  1  0  0  0  0
 15 16  2  0  0  0  0
 15 32  1  0  0  0  0
 16 33  1  0  0  0  0
M  END

$$$$
D02BXJ
  -OEChem-10191522012D

 75 78  0     0  0  0  0  0  0999 V2000
    9.4651    7.0352    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   10.4651    6.0352    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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 39 68  1  0  0  0  0
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 42 73  1  0  0  0  0
 42 74  1  0  0  0  0
 42 75  1  0  0  0  0
M  END

$$$$
D02BXS
  -OEChem-10101305032D

 38 40  0     0  0  0  0  0  0999 V2000
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 19 32  1  0  0  0  0
 20 33  1  0  0  0  0
 21 34  1  0  0  0  0
M  END

$$$$
D02BYS
  -OEChem-10101305022D

 51 53  0     0  0  0  0  0  0999 V2000
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M  END

$$$$
D02BZV
  -OEChem-04152109412D

 68 71  0     1  0  0  0  0  0999 V2000
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M  END

$$$$
D02CAT
  -OEChem-10101305022D

 28 29  0     0  0  0  0  0  0999 V2000
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  1 13  1  0  0  0  0
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  4 11  2  0  0  0  0
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  7 22  1  0  0  0  0
  8 10  1  0  0  0  0
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 11 12  1  0  0  0  0
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 13 15  2  0  0  0  0
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 14 25  1  0  0  0  0
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 15 26  1  0  0  0  0
 16 17  2  0  0  0  0
 16 27  1  0  0  0  0
 17 28  1  0  0  0  0
M  END

$$$$
D02CBD
  -OEChem-02061503592D

 48 51  0     1  0  0  0  0  0999 V2000
    5.8550   -0.6265    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
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 18 21  1  0  0  0  0
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 20 24  1  0  0  0  0
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 21 40  1  0  0  0  0
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 25 28  1  0  0  0  0
 25 42  1  0  0  0  0
 26 29  2  0  0  0  0
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 27 44  1  0  0  0  0
 27 45  1  0  0  0  0
 27 46  1  0  0  0  0
 28 47  1  0  0  0  0
 29 48  1  0  0  0  0
M  END

$$$$
D02CBR
  -OEChem-04152109342D

 16 15  0     1  0  0  0  0  0999 V2000
    6.0010   -0.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    1.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.4030    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0000    0.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1  7  1  0  0  0  0
  1 16  1  0  0  0  0
  2  7  2  0  0  0  0
  3  5  1  0  0  0  0
  3 14  1  0  0  0  0
  3 15  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  1  0  0  0
  4  7  1  0  0  0  0
  4  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

$$$$
D02CCA
  -OEChem-04152110282D

 53 57  0     1  0  0  0  0  0999 V2000
    7.2641   -4.5000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000    1.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1 29  1  0  0  0  0
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 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

$$$$
D02CCB
  -OEChem-10101305022D

 39 41  0     0  0  0  0  0  0999 V2000
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    6.2619    0.7990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783   -0.0057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7619   -0.0670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 10 14  1  0  0  0  0
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 21 37  1  0  0  0  0
 21 38  1  0  0  0  0
 21 39  1  0  0  0  0
M  END

$$$$
D02CCD
  -OEChem-10101305022D

 67 70  0     0  0  0  0  0  0999 V2000
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 31 62  1  0  0  0  0
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 33 35  1  0  0  0  0
 35 65  1  0  0  0  0
 35 66  1  0  0  0  0
 35 67  1  0  0  0  0
M  END

$$$$
D02CFE
  -OEChem-10101305032D

 42 45  0     1  0  0  0  0  0999 V2000
    4.0948    0.1699    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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 25 26  1  0  0  0  0
 25 41  1  0  0  0  0
 26 42  1  0  0  0  0
M  END

$$$$
D02CFH
  -OEChem-10101305032D

 18 18  0     0  0  0  0  0  0999 V2000
    4.5981    0.5950    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7320    2.0950    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.4050    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
    3.7320   -0.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.9050    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
    2.8660   -2.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -0.5950    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -0.5950    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291    0.9050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -2.2150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -2.2150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.0250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    2.4050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951    2.4050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  2  0  0  0  0
  2  4  1  0  0  0  0
  2 10  1  0  0  0  0
  2 13  1  0  0  0  0
  3 10  1  0  0  0  0
  3 17  1  0  0  0  0
  3 18  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  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  9  2  0  0  0  0
  7 14  1  0  0  0  0
  8  9  1  0  0  0  0
  8 15  1  0  0  0  0
  9 16  1  0  0  0  0
M  END

$$$$
D02CFR
          04290501012D 1   1.00000     0.00000     0

 24 26  0     0  0            999 V2000
   -0.0496   -1.9265    0.0000 O   0  0  0  0  0  0           0  0  0
    0.6588   -1.9265    0.0000 O   0  0  0  0  0  0           0  0  0
    0.3046   -1.3145    0.0000 S   0  0  3  0  0  0           0  0  0
    0.9194   -0.2500    0.0000 C   0  0  0  0  0  0           0  0  0
    0.9182   -0.9607    0.0000 C   0  0  0  0  0  0           0  0  0
    1.5331   -1.3152    0.0000 C   0  0  0  0  0  0           0  0  0
    1.5313    0.1045    0.0000 C   0  0  0  0  0  0           0  0  0
    2.1425   -0.2463    0.0000 C   0  0  0  0  0  0           0  0  0
    2.1435   -0.9570    0.0000 C   0  0  0  0  0  0           0  0  0
    2.7586   -1.3099    0.0000 C   0  0  0  0  0  0           0  0  0
    3.3729   -0.9531    0.0000 C   0  0  0  0  0  0           0  0  0
    3.3684   -0.2397    0.0000 C   0  0  0  0  0  0           0  0  0
    2.7529    0.1100    0.0000 N   0  0  0  0  0  0           0  0  0
    2.7604   -2.0182    0.0000 N   0  0  0  0  0  0           0  0  0
    3.3748   -2.3708    0.0000 C   0  0  0  0  0  0           0  0  0
    3.3744   -3.0765    0.0000 C   0  0  0  0  0  0           0  0  0
    3.9881   -3.4290    0.0000 C   0  0  0  0  0  0           0  0  0
    4.6014   -3.0732    0.0000 C   0  0  0  0  0  0           0  0  0
    4.5973   -2.3612    0.0000 C   0  0  0  0  0  0           0  0  0
    3.9831   -2.0119    0.0000 C   0  0  0  0  0  0           0  0  0
    5.2085   -2.0032    0.0000 O   0  0  0  0  0  0           0  0  0
    2.7613   -3.4312    0.0000 O   0  0  0  0  0  0           0  0  0
    5.2163   -3.4249    0.0000 F   0  0  0  0  0  0           0  0  0
   -0.3086   -0.9600    0.0000 C   0  0  0  0  0  0           0  0  0
 12 13  2  0     0  0
 13  8  1  0     0  0
  8  7  2  0     0  0
 10 14  1  0     0  0
  7  4  1  0     0  0
 14 15  1  0     0  0
  3  2  2  0     0  0
 15 16  2  0     0  0
  4  5  2  0     0  0
 16 17  1  0     0  0
  8  9  1  0     0  0
 17 18  2  0     0  0
  1  3  2  0     0  0
 18 19  1  0     0  0
  9 10  1  0     0  0
 19 20  2  0     0  0
 20 15  1  0     0  0
  5  6  1  0     0  0
 19 21  1  0     0  0
 10 11  2  0     0  0
 16 22  1  0     0  0
  6  9  2  0     0  0
 18 23  1  0     0  0
  5  3  1  0     0  0
 11 12  1  0     0  0
  3 24  1  0     0  0
M  END

$$$$
D02CGG
  -OEChem-10101305022D

 37 37  0     0  0  0  0  0  0999 V2000
    8.0622    0.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942    0.5000    0.0000 O   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
    5.4641   -1.0000    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
    6.3301   -0.5000    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
    7.1962   -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
    8.0622   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -2.0000    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
    8.0622   -2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282   -2.0000    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    2.0000    0.0000 C   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
    4.9966   -0.0251    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1996   -0.0251    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0656   -1.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8626   -1.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3335   -1.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1306   -1.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7287   -0.0251    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9316   -0.0251    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2646   -0.0251    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4675   -0.0251    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -0.4631    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -1.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   -1.5369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6592   -2.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651   -0.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -3.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651   -2.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3913    2.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3312    2.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942    3.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
  1 15  1  0  0  0  0
  2 15  2  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3 18  1  0  0  0  0
  3 19  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  7  1  0  0  0  0
  5 22  1  0  0  0  0
  5 23  1  0  0  0  0
  6  8  1  0  0  0  0
  6 24  1  0  0  0  0
  6 25  1  0  0  0  0
  7  9  1  0  0  0  0
  7 26  1  0  0  0  0
  7 27  1  0  0  0  0
  8 10  1  0  0  0  0
  8 11  2  0  0  0  0
  9 28  1  0  0  0  0
  9 29  1  0  0  0  0
  9 30  1  0  0  0  0
 10 12  2  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 14  2  0  0  0  0
 13 33  1  0  0  0  0
 14 34  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 35  1  0  0  0  0
 17 36  1  0  0  0  0
 17 37  1  0  0  0  0
M  END

$$$$
D02CHG
  -OEChem-10101305022D

 27 29  0     0  0  0  0  0  0999 V2000
    8.9942   -1.2741    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -2.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.7500    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
    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
    5.4641   -1.2500    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
    7.2241   -1.2847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2241    0.7847    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
    2.8660    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1301   -0.7708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1301    0.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.7500    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
    4.0611   -1.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2169   -1.9046    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2169    1.4046    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    2.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6659    0.5829    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    2.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    0.4400    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 14  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  8  2  0  0  0  0
  4  5  2  0  0  0  0
  4  8  1  0  0  0  0
  4 10  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 12  2  0  0  0  0
  7 13  1  0  0  0  0
  8  9  1  0  0  0  0
  9 19  1  0  0  0  0
 10 14  2  0  0  0  0
 10 20  1  0  0  0  0
 11 15  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 15  1  0  0  0  0
 15 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

$$$$
D02CIT
  -OEChem-10191522072D

 55 57  0     0  0  0  0  0  0999 V2000
    7.1962   -1.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1424    1.8297    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.4750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.9750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.5250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4530    2.7802    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4315    2.9864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7852    3.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    1.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    0.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7260    1.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1424    0.2202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    2.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0958    4.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7422    3.9370    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -3.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -4.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -4.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -4.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8464    2.6524    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4521    2.3668    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0454    2.8991    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2383    3.8165    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4026    3.0366    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3460    1.0250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3350   -0.3691    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    2.6450    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6852    4.2824    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3315    3.7443    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9348    4.5263    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1529    4.1296    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2885    5.0644    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5065    4.6676    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9272    0.2150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6762   -3.0577    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0747   -2.3674    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9272   -1.1650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -5.0950    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -2.6650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1541   -5.0120    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -4.7850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7741   -3.9381    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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 29 53  1  0  0  0  0
 29 54  1  0  0  0  0
 29 55  1  0  0  0  0
M  END

$$$$
D02CKF
  -OEChem-10101305022D

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 21 57  1  0  0  0  0
 22 24  3  0  0  0  0
M  END

$$$$
D02CKL
  -OEChem-10101305022D

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 14 47  1  0  0  0  0
 15 48  1  0  0  0  0
 15 49  1  0  0  0  0
 16 21  1  0  0  0  0
 16 50  1  0  0  0  0
 18 51  1  0  0  0  0
 18 52  1  0  0  0  0
 18 53  1  0  0  0  0
 19 54  1  0  0  0  0
 19 55  1  0  0  0  0
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 20 22  1  0  0  0  0
 20 26  2  0  0  0  0
 21 22  1  0  0  0  0
 21 58  1  0  0  0  0
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 22 27  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 60  1  0  0  0  0
 25 28  1  0  0  0  0
 25 61  1  0  0  0  0
 26 29  1  0  0  0  0
 26 62  1  0  0  0  0
 27 30  1  0  0  0  0
 27 63  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
 29 30  2  0  0  0  0
 29 67  1  0  0  0  0
 30 68  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
 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 73  1  0  0  0  0
 35 74  1  0  0  0  0
 36 38  2  0  0  0  0
 36 75  1  0  0  0  0
 37 38  1  0  0  0  0
 37 76  1  0  0  0  0
 38 77  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 43  1  0  0  0  0
 41 44  1  0  0  0  0
 41 78  1  0  0  0  0
 42 45  1  0  0  0  0
 42 79  1  0  0  0  0
 43 80  1  0  0  0  0
 43 81  1  0  0  0  0
 44 45  2  0  0  0  0
 44 82  1  0  0  0  0
 45 83  1  0  0  0  0
M  END

$$$$
D02CKM
  -OEChem-10101305032D

 27 28  0     0  0  0  0  0  0999 V2000
    7.1962    3.5000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -3.0000    0.0000 F   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    0.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.5000    0.0000 N   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    1.5000    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
    3.7320   -1.5000    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
    6.3301    2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7320   -2.5000    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   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    3.0000    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
    5.4641    3.5000    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
    6.0010    0.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951   -1.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -1.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    1.6900    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
    4.5981   -3.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0611    3.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    4.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 16  1  0  0  0  0
  2 14  1  0  0  0  0
  3  8  2  0  0  0  0
  4  7  1  0  0  0  0
  4  8  1  0  0  0  0
  4 20  1  0  0  0  0
  5 19  3  0  0  0  0
  6  8  1  0  0  0  0
  6  9  1  0  0  0  0
  6 10  2  0  0  0  0
  7 11  2  0  0  0  0
  7 12  1  0  0  0  0
  9 13  2  0  0  0  0
  9 21  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  1  0  0  0  0
 13 19  1  0  0  0  0
 14 15  2  0  0  0  0
 15 25  1  0  0  0  0
 16 18  2  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

$$$$
D02COM
  -OEChem-10101305022D

 64 67  0     1  0  0  0  0  0999 V2000
    4.7320   -3.5311    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5000    3.5311    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3660   -2.1651    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8660    2.1651    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -4.5311    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    8.2320    4.5311    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    3.0000   -3.5311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2320    3.5311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8660   -5.0311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3660    5.0311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8660   -3.0311    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.3660    3.0311    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.5000    4.5311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7320   -4.5311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7320    5.3971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2320    4.5311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5000   -5.3971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -4.5311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8660    2.1651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3660   -2.1651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3660   -2.1651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8660    2.1651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8660   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3660    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8660    0.4330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3660   -0.4330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8660   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3660    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3660   -0.4330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8660    0.4330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7880   -2.9485    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3894   -3.6388    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4441    2.9485    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8426    3.6388    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4675   -5.5060    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2646   -5.5060    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7646    5.5060    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9675    5.5060    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9441   -5.1137    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3426   -4.4234    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2880    5.1137    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8894    4.4234    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2690    5.0871    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0420    5.9340    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.9111    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3800   -4.5311    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -5.1511    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9631   -5.0871    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1951    5.7071    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2320    3.9111    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8520    4.5311    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1900   -5.9340    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0369   -5.7071    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2320    5.1511    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7460   -2.1651    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4860    2.1651    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6760   -2.7020    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    3.2460   -1.2990    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.7460    1.2990    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    7.1760   -0.1039    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 12  1  0  0  0  0
  2 13  1  0  0  0  0
  3 11  1  0  0  0  0
  3 55  1  0  0  0  0
  4 12  1  0  0  0  0
  4 56  1  0  0  0  0
  5  7  1  0  0  0  0
  5  9  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 10  1  0  0  0  0
  6 15  1  0  0  0  0
  6 16  1  0  0  0  0
  7 11  1  0  0  0  0
  7 31  1  0  0  0  0
  7 32  1  0  0  0  0
  8 12  1  0  0  0  0
  8 33  1  0  0  0  0
  8 34  1  0  0  0  0
  9 14  1  0  0  0  0
  9 35  1  0  0  0  0
  9 36  1  0  0  0  0
 10 13  1  0  0  0  0
 10 37  1  0  0  0  0
 10 38  1  0  0  0  0
 11 20  1  0  0  0  0
 12 19  1  0  0  0  0
 13 41  1  0  0  0  0
 13 42  1  0  0  0  0
 14 39  1  0  0  0  0
 14 40  1  0  0  0  0
 15 43  1  0  0  0  0
 15 44  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 54  1  0  0  0  0
 17 48  1  0  0  0  0
 17 52  1  0  0  0  0
 17 53  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 22  2  0  0  0  0
 19 24  1  0  0  0  0
 20 21  2  0  0  0  0
 20 23  1  0  0  0  0
 21 27  1  0  0  0  0
 21 57  1  0  0  0  0
 22 28  1  0  0  0  0
 22 58  1  0  0  0  0
 23 29  2  0  0  0  0
 23 59  1  0  0  0  0
 24 30  2  0  0  0  0
 24 60  1  0  0  0  0
 25 26  1  0  0  0  0
 25 28  2  0  0  0  0
 25 30  1  0  0  0  0
 26 27  2  0  0  0  0
 26 29  1  0  0  0  0
 27 61  1  0  0  0  0
 28 62  1  0  0  0  0
 29 63  1  0  0  0  0
 30 64  1  0  0  0  0
M  CHG  2   5   1   6   1
M  END

$$$$
D02COQ
  -OEChem-10101305022D

 68 72  0     1  0  0  0  0  0999 V2000
    6.3869    2.4412    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1945    2.3953    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4832    3.5712    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1990    4.0523    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.5835    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    7.3022   -2.2556    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.3022   -1.2556    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.4362   -2.7556    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.4201    0.2860    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.5702   -1.2556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4201   -3.7971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5702   -2.2556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2122   -0.7487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3182    0.8137    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.2122   -2.7624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2202    0.2929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5702   -0.2556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3182   -4.3248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1682   -1.7556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4682    0.8066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2202   -3.8040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3265    1.8987    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.9101   -4.6572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.9933    2.6995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 28 66  1  0  0  0  0
 29 30  1  0  0  0  0
 29 67  1  0  0  0  0
M  END

$$$$
D02CQN
  -OEChem-10101305032D

 41 43  0     0  0  0  0  0  0999 V2000
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M  END

$$$$
D02CQW
  -OEChem-10101305022D

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M  END

$$$$
D02CSC
  -OEChem-10101305022D

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M  END

$$$$
D02CSO
  -OEChem-04152110222D

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 77 96  1  1  0  0  0
 77162  1  0  0  0  0
 79 91  1  0  0  0  0
 79163  1  0  0  0  0
 79164  1  0  0  0  0
 80101  1  0  0  0  0
 80165  1  0  0  0  0
 80166  1  0  0  0  0
 81 88  1  0  0  0  0
 81 95  2  0  0  0  0
 84 87  2  0  0  0  0
 84169  1  0  0  0  0
 85170  1  0  0  0  0
 85171  1  0  0  0  0
 86 99  1  0  0  0  0
 86173  1  0  0  0  0
 86174  1  0  0  0  0
 87175  1  0  0  0  0
 88 93  1  0  0  0  0
 88103  2  0  0  0  0
 90 97  1  0  0  0  0
 90 98  1  0  0  0  0
 90176  1  0  0  0  0
 91178  1  0  0  0  0
 91179  1  0  0  0  0
 93105  2  0  0  0  0
 94180  1  0  0  0  0
 94181  1  0  0  0  0
 94182  1  0  0  0  0
 95183  1  0  0  0  0
 98107  1  0  0  0  0
 98185  1  0  0  0  0
 98186  1  0  0  0  0
 99110  2  0  0  0  0
100104  1  0  0  0  0
100189  1  0  0  0  0
100190  1  0  0  0  0
102106  1  0  0  0  0
102111  1  0  0  0  0
102191  1  0  0  0  0
103108  1  0  0  0  0
103193  1  0  0  0  0
105109  1  0  0  0  0
105194  1  0  0  0  0
106112  1  0  0  0  0
106196  1  0  0  0  0
107197  1  0  0  0  0
107198  1  0  0  0  0
107199  1  0  0  0  0
108109  2  0  0  0  0
108200  1  0  0  0  0
109204  1  0  0  0  0
110205  1  0  0  0  0
112206  1  0  0  0  0
112207  1  0  0  0  0
112208  1  0  0  0  0
113209  1  0  0  0  0
M  END

$$$$
D02CSU
  -OEChem-10101305032D

 29 31  0     0  0  0  0  0  0999 V2000
    2.9854    2.3910    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2619   -1.5972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783   -2.4019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783   -0.7925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.0972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.0972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.5972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9889    0.1581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.5972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.0972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.0972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3211    0.9024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3426    0.6961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6318    1.8529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6747    1.4404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9639    2.5972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7227   -2.0119    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7227   -1.1825    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4272   -2.9688    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2156   -2.7112    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5956    0.2859    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.2172    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.0228    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -2.4072    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -0.7872    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1500    0.1068    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2384    1.9807    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0681    1.3126    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1565    3.1865    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 15  2  0  0  0  0
  1 16  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2 17  1  0  0  0  0
  2 18  1  0  0  0  0
  3  5  1  0  0  0  0
  3 19  1  0  0  0  0
  3 20  1  0  0  0  0
  4  6  1  0  0  0  0
  4  8  2  0  0  0  0
  5  6  1  0  0  0  0
  5  7  2  0  0  0  0
  6  9  2  0  0  0  0
  7 10  1  0  0  0  0
  7 22  1  0  0  0  0
  8 12  1  0  0  0  0
  8 21  1  0  0  0  0
  9 11  1  0  0  0  0
  9 23  1  0  0  0  0
 10 11  2  0  0  0  0
 10 24  1  0  0  0  0
 11 25  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 13 15  1  0  0  0  0
 13 26  1  0  0  0  0
 14 16  2  0  0  0  0
 14 27  1  0  0  0  0
 15 28  1  0  0  0  0
 16 29  1  0  0  0  0
M  END

$$$$
D02CUF
  -OEChem-10101305022D

 40 42  0     0  0  0  0  0  0999 V2000
    2.0000   -0.7329    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.2671    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2622   -0.7571    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4920    1.3017    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.2329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981   -0.2537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.7671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4920   -0.7676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1301   -0.2604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.7329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.2671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.2329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8660    0.7671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981    0.7879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9904   -1.7637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8622   -0.2671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8544   -2.2671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7263   -0.7704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7224   -1.7704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0000    2.2671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4848   -1.3875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   11.2644   -0.4625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2581   -2.0825    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    1.3800    2.2671    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  1  0  0  0  0
  1 21  1  0  0  0  0
  2 14  1  0  0  0  0
  2 22  1  0  0  0  0
  3  6  1  0  0  0  0
  3  9  1  0  0  0  0
  3 26  1  0  0  0  0
  4  7  2  0  0  0  0
  4 15  1  0  0  0  0
  5  7  1  0  0  0  0
  5  8  2  0  0  0  0
  5 10  1  0  0  0  0
  6  8  1  0  0  0  0
  6 15  2  0  0  0  0
  7 11  1  0  0  0  0
  8 23  1  0  0  0  0
  9 13  1  0  0  0  0
  9 24  1  0  0  0  0
  9 25  1  0  0  0  0
 10 12  2  0  0  0  0
 10 27  1  0  0  0  0
 11 14  2  0  0  0  0
 11 28  1  0  0  0  0
 12 14  1  0  0  0  0
 13 16  2  0  0  0  0
 13 17  1  0  0  0  0
 15 29  1  0  0  0  0
 16 18  1  0  0  0  0
 16 30  1  0  0  0  0
 17 19  2  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
 19 20  1  0  0  0  0
 19 33  1  0  0  0  0
 20 34  1  0  0  0  0
 21 35  1  0  0  0  0
 21 36  1  0  0  0  0
 21 37  1  0  0  0  0
 22 38  1  0  0  0  0
 22 39  1  0  0  0  0
 22 40  1  0  0  0  0
M  END

$$$$
D02CWE
  -OEChem-04152122272D

  5  3  0     0  0  0  0  0  0999 V2000
    3.4030    0.2500    0.0000 Mo  0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    0.7500    0.0000 S   0  5  0  0  0  0  0  0  0  0  0  0
    4.2690    0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -0.7500    0.0000 O   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  3  2  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
M  CHG  1   2  -1
M  END

$$$$
D02CWP
  -OEChem-10191522442D

 78 81  0     1  0  0  0  0  0999 V2000
   14.0317    3.5257    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.5357   -4.4583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1212    0.4679    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.0102    3.7319    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.8255    4.5042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.2379    2.5472    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7640    2.1627    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.9288   -1.4060    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.9288   -2.4060    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.0628   -2.9060    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.1968   -2.4060    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.2868   -2.9129    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.8750   -1.1013    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.0628   -0.9060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2787   -3.9545    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.1968   -1.4060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8750   -2.7107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0789   -3.9475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.1642    0.0555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.7425    2.3689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0532    3.3195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.7780   -0.0319    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9793    1.0076    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0000   -4.1463    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4543    1.6256    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8611    1.0933    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3500    2.6242    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.7631    1.7493    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.3564    2.2816    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.0326    3.9391    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.4394    3.4068    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.2028    4.3212    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 33  1  0  0  0  0
 27  2  1  6  0  0  0
  2 70  1  0  0  0  0
  3 31  2  0  0  0  0
  4 78  1  0  0  0  0
  7 31  1  0  0  0  0
  7 32  1  0  0  0  0
  7 73  1  0  0  0  0
  8  9  1  0  0  0  0
  8 13  1  0  0  0  0
  8 14  1  0  0  0  0
  8 22  1  1  0  0  0
  9 10  1  0  0  0  0
  9 17  1  0  0  0  0
  9 34  1  6  0  0  0
 10 11  1  0  0  0  0
 10 18  1  0  0  0  0
 10 35  1  1  0  0  0
 11 12  1  0  0  0  0
 11 16  1  0  0  0  0
 11 36  1  6  0  0  0
 12 15  1  0  0  0  0
 12 21  1  0  0  0  0
 12 25  1  1  0  0  0
 13 19  1  0  0  0  0
 13 23  1  0  0  0  0
 13 37  1  6  0  0  0
 14 16  1  0  0  0  0
 14 38  1  0  0  0  0
 14 39  1  0  0  0  0
 15 20  1  0  0  0  0
 15 24  1  0  0  0  0
 15 40  1  1  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 43  1  0  0  0  0
 17 44  1  0  0  0  0
 18 20  1  0  0  0  0
 18 45  1  0  0  0  0
 18 46  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 26  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
 22 55  1  0  0  0  0
 23 28  1  0  0  0  0
 23 29  1  6  0  0  0
 23 56  1  0  0  0  0
 24 27  1  0  0  0  0
 24 57  1  0  0  0  0
 24 58  1  0  0  0  0
 25 59  1  0  0  0  0
 25 60  1  0  0  0  0
 25 61  1  0  0  0  0
 26 27  1  0  0  0  0
 26 62  1  0  0  0  0
 26 63  1  0  0  0  0
 27 64  1  0  0  0  0
 28 30  1  0  0  0  0
 28 65  1  0  0  0  0
 28 66  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 31  1  0  0  0  0
 30 71  1  0  0  0  0
 30 72  1  0  0  0  0
 32 33  1  0  0  0  0
 32 74  1  0  0  0  0
 32 75  1  0  0  0  0
 33 76  1  0  0  0  0
 33 77  1  0  0  0  0
M  END

$$$$
D02CWR
  -OEChem-10101305032D

 29 30  0     0  0  0  0  0  0999 V2000
    4.2690   -2.7500    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
    3.4030    1.7500    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
    4.2690    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   -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
    4.2690   -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
    5.1350   -1.2500    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
    5.1350    2.7500    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
    6.0010    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
    5.1350   -3.2500    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
    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
    6.0010    0.6300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    3.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4040    1.4400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    3.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4040    3.0600    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
    4.8250   -3.7869    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6720   -3.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4450   -2.7131    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  1 17  1  0  0  0  0
  2  7  1  0  0  0  0
  2 26  1  0  0  0  0
  3  5  2  0  0  0  0
  4  5  1  0  0  0  0
  4  7  2  0  0  0  0
  4  8  1  0  0  0  0
  5  6  1  0  0  0  0
  6 12  2  0  0  0  0
  6 13  1  0  0  0  0
  7 10  1  0  0  0  0
  8 11  2  0  0  0  0
  8 18  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 10 19  1  0  0  0  0
 11 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 27  1  0  0  0  0
 17 28  1  0  0  0  0
 17 29  1  0  0  0  0
M  END

$$$$
D02CWZ
  SciTegic11301210262D

 16 16  0  0  0  0            999 V2000
   -3.6208   -0.3417    0.0000 C   0  0
    3.7042   -0.3000    0.0000 C   0  0
    2.1292    0.6083    0.0000 N   0  0
   -2.0333    0.6083    0.0000 N   0  0
   -2.5708   -0.3417    0.0000 N   0  0
    2.6542   -0.3000    0.0000 N   0  0
   -1.0125    0.6083    0.0000 C   0  0
    1.0750    0.6083    0.0000 C   0  0
    0.5500    1.5125    0.0000 C   0  0
    0.5500   -0.3000    0.0000 C   0  0
   -0.4875   -0.3000    0.0000 C   0  0
   -0.4875    1.5125    0.0000 C   0  0
   -4.1458    0.5625    0.0000 N   0  0
    4.2292    0.6083    0.0000 S   0  0
   -4.1458   -1.2542    0.0000 N   0  0
    4.2292   -1.2042    0.0000 N   0  0
  2  6  1  0
  3  8  2  0
  4  5  1  0
  5  1  1  0
  6  3  1  0
  7  4  2  0
  8  9  1  0
  9 12  2  0
 10 11  2  0
 11  7  1  0
 12  7  1  0
 13  1  2  0
 14  2  2  0
 15  1  1  0
 16  2  1  0
 10  8  1  0
M  END

$$$$
D02CXU
  -OEChem-10101305022D

 31 32  0     0  0  0  0  0  0999 V2000
    4.5981    1.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -3.5000    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
    4.5981    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    1.5000    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
    5.4641    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    3.0000    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
    6.3301    3.5000    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
    5.4641   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.0000    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
    6.3301    0.8800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9272    3.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    0.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    3.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951   -1.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    4.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -1.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7522    0.9631    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991    1.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3722    2.0369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900    0.5369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -0.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   -0.5369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
  2  8  1  0  0  0  0
  2 17  1  0  0  0  0
  3 18  3  0  0  0  0
  4  7  1  0  0  0  0
  4  9  2  0  0  0  0
  5  8  2  0  0  0  0
  5 10  1  0  0  0  0
  6  7  2  0  0  0  0
  6 11  1  0  0  0  0
  6 16  1  0  0  0  0
  7 19  1  0  0  0  0
  8 12  1  0  0  0  0
  9 13  1  0  0  0  0
  9 20  1  0  0  0  0
 10 15  2  0  0  0  0
 10 21  1  0  0  0  0
 11 13  2  0  0  0  0
 11 22  1  0  0  0  0
 12 14  2  0  0  0  0
 12 23  1  0  0  0  0
 13 24  1  0  0  0  0
 14 15  1  0  0  0  0
 14 18  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
 17 29  1  0  0  0  0
 17 30  1  0  0  0  0
 17 31  1  0  0  0  0
M  END

$$$$
D02CYQ
  -OEChem-10101305022D

 22 21  0     1  0  0  0  0  0999 V2000
    2.5369    1.0600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    2.5600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    2.5600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -1.9400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -1.9400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    1.5600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    1.0600    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    1.0600    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.2690    0.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -0.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    1.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    1.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -1.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    1.6800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4810   -0.5226    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8796    0.1677    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1909    0.1426    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7924   -0.5477    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    0.4400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -2.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4040    1.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  1  0  0  0  0
  1 20  1  0  0  0  0
  2 11  2  0  0  0  0
  3 12  2  0  0  0  0
  4 13  1  0  0  0  0
  4 21  1  0  0  0  0
  5 13  2  0  0  0  0
  6  7  1  0  0  0  0
  6 22  1  0  0  0  0
  7 11  1  0  0  0  0
  7 19  1  0  0  0  0
  8  9  1  0  0  0  0
  8 11  1  0  0  0  0
  8 12  1  0  0  0  0
  8 14  1  0  0  0  0
  9 10  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
 10 17  1  0  0  0  0
 10 18  1  0  0  0  0
M  END

$$$$
D02CYZ
  -OEChem-10101305022D

 25 25  0     0  0  0  0  0  0999 V2000
    4.2690   -1.3644    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    0.1356    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    0.6356    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9030   -0.7304    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -2.3644    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2690   -1.3644    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9030    1.0016    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2690   -1.3644    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    1.1356    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9440    1.7234    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -0.3644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    0.1356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3260    1.7234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6350    2.6744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6350    2.6744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.2556    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3471   -0.4470    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7456    0.2432    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7363    1.5318    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.3256    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2830   -0.7304    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8059   -2.6744    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9590   -1.9014    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2706    3.1760    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9994    3.1760    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1  6  1  0  0  0  0
  1  8  2  0  0  0  0
  1 11  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  7  2  0  0  0  0
  2 11  1  0  0  0  0
  3 20  1  0  0  0  0
  4 21  1  0  0  0  0
  5 22  1  0  0  0  0
  6 23  1  0  0  0  0
  9 10  1  0  0  0  0
  9 12  1  0  0  0  0
  9 13  1  0  0  0  0
 10 15  2  0  0  0  0
 11 12  1  0  0  0  0
 11 16  1  0  0  0  0
 12 17  1  0  0  0  0
 12 18  1  0  0  0  0
 13 14  2  0  0  0  0
 13 19  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

$$$$
D02CZC
  -OEChem-10101305032D

 39 41  0     0  0  0  0  0  0999 V2000
    4.4030   -3.5000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.9030   -0.3660    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
    4.4030    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4030   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4030    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4030    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
    3.5369   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2690   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2690    2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9030   -0.3660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5369    2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9030    1.3660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5369   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2690   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2690    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9030   -0.3660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9030    1.3660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5369    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4030   -2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4030    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4030    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -0.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8059   -0.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8059    1.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5930   -0.9030    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    1.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5930    1.9030    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -2.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8059   -2.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8059    3.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2130   -0.9030    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    3.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2130    1.9030    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
    2.5369    1.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0230    0.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4030    4.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 21  1  0  0  0  0
  2  8  2  0  0  0  0
  3  8  1  0  0  0  0
  3 36  1  0  0  0  0
  3 37  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  2  0  0  0  0
  5 10  1  0  0  0  0
  6 11  2  0  0  0  0
  6 13  1  0  0  0  0
  7 12  2  0  0  0  0
  7 14  1  0  0  0  0
  9 15  1  0  0  0  0
  9 24  1  0  0  0  0
 10 16  2  0  0  0  0
 10 25  1  0  0  0  0
 11 17  1  0  0  0  0
 11 26  1  0  0  0  0
 12 18  1  0  0  0  0
 12 27  1  0  0  0  0
 13 20  2  0  0  0  0
 13 28  1  0  0  0  0
 14 19  2  0  0  0  0
 14 29  1  0  0  0  0
 15 21  2  0  0  0  0
 15 30  1  0  0  0  0
 16 21  1  0  0  0  0
 16 31  1  0  0  0  0
 17 23  2  0  0  0  0
 17 32  1  0  0  0  0
 18 22  2  0  0  0  0
 18 33  1  0  0  0  0
 19 22  1  0  0  0  0
 19 35  1  0  0  0  0
 20 23  1  0  0  0  0
 20 34  1  0  0  0  0
 22 38  1  0  0  0  0
 23 39  1  0  0  0  0
M  END

$$$$
D02CZO
  -OEChem-10101305022D

 42 43  0     0  0  0  0  0  0999 V2000
    5.4641   -0.3100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -1.8100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -1.8100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    1.1900    0.0000 N   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
    3.7320   -0.3100    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
    2.0000   -0.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282   -0.3100    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
   10.7282   -0.3308    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
    9.8222   -0.8447    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
   11.5923   -0.8342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8222    1.2247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7282    0.7108    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
    6.3301   -0.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4602   -0.3375    0.0000 C   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
    4.1306    0.1649    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3335    0.1649    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1996   -1.2850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9966   -1.2850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100    0.2269    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -0.8469    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2460   -1.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.4300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4860   -1.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8150   -1.4646    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1919   -1.3076    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9890   -1.3106    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8150    1.8446    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    1.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2639    1.0229    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6592    1.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.7682   -0.8756    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.9984   -0.0296    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.1523    0.2006    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1 20  1  0  0  0  0
  2 15  2  0  0  0  0
  3 20  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  6  1  0  0  0  0
  5  8  1  0  0  0  0
  5  9  1  0  0  0  0
  5 22  1  0  0  0  0
  6  7  1  0  0  0  0
  6 23  1  0  0  0  0
  6 24  1  0  0  0  0
  7 25  1  0  0  0  0
  7 26  1  0  0  0  0
  8 27  1  0  0  0  0
  8 28  1  0  0  0  0
  8 29  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 11  2  0  0  0  0
 10 14  1  0  0  0  0
 10 15  1  0  0  0  0
 11 17  1  0  0  0  0
 12 14  2  0  0  0  0
 12 16  1  0  0  0  0
 12 18  1  0  0  0  0
 13 15  1  0  0  0  0
 13 19  2  0  0  0  0
 13 20  1  0  0  0  0
 14 33  1  0  0  0  0
 16 21  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 38  1  0  0  0  0
 19 39  1  0  0  0  0
 21 40  1  0  0  0  0
 21 41  1  0  0  0  0
 21 42  1  0  0  0  0
M  END

$$$$
D02DAJ
  -OEChem-10191522042D

 27 28  0     0  0  0  0  0  0999 V2000
    6.8671   -2.5000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    8.5991    0.5000    0.0000 Cl  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
    3.4030    0.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    0.5000    0.0000 N   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
    6.0010    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
    4.2690   -2.0000    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
    6.0010    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
    5.1350   -2.5000    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
    6.8671    2.5000    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
    7.7331    2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.8100    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
    3.7320   -2.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -0.1200    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
    5.1350   -3.1200    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
    8.2700    2.3100    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
  1 13  1  0  0  0  0
  2 15  1  0  0  0  0
  3 17  1  0  0  0  0
  3 27  1  0  0  0  0
  4 17  2  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  5 19  1  0  0  0  0
  6  7  2  0  0  0  0
  6  9  1  0  0  0  0
  7 10  1  0  0  0  0
  7 17  1  0  0  0  0
  8 11  2  0  0  0  0
  8 12  1  0  0  0  0
  9 13  2  0  0  0  0
  9 20  1  0  0  0  0
 10 14  2  0  0  0  0
 10 21  1  0  0  0  0
 11 15  1  0  0  0  0
 11 22  1  0  0  0  0
 12 16  2  0  0  0  0
 12 23  1  0  0  0  0
 13 14  1  0  0  0  0
 14 24  1  0  0  0  0
 15 18  2  0  0  0  0
 16 18  1  0  0  0  0
 16 25  1  0  0  0  0
 18 26  1  0  0  0  0
M  END

$$$$
D02DBP
  -OEChem-10101305032D

 14 14  0     0  0  0  0  0  0999 V2000
    3.7320    1.6550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.3450    0.0000 O   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
    2.8660   -0.8450    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
    4.5981    0.1550    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
    4.5981   -0.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291    0.4650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    0.4650    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
    5.1350   -1.1550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    1.9650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -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 13  1  0  0  0  0
  2  4  1  0  0  0  0
  2 14  1  0  0  0  0
  3  5  2  0  0  0  0
  3  6  1  0  0  0  0
  4  5  1  0  0  0  0
  4  7  2  0  0  0  0
  5  9  1  0  0  0  0
  6  8  2  0  0  0  0
  6 10  1  0  0  0  0
  7  8  1  0  0  0  0
  7 11  1  0  0  0  0
  8 12  1  0  0  0  0
M  END

$$$$
D02DCD
  -OEChem-10101305032D

 40 41  0     0  0  0  0  0  0999 V2000
    2.0000   -4.6900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -4.6900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.1900    0.0000 N   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
    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
    4.7320    4.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7320    4.3100    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
    4.5981    2.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.8100    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
    3.7320    0.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.6900    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
    2.8660   -4.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3520    5.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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 18 20  1  0  0  0  0
 18 21  1  0  0  0  0
 19 38  1  0  0  0  0
 20 39  1  0  0  0  0
M  END

$$$$
D02DCM
  -OEChem-10101305022D

 41 44  0     1  0  0  0  0  0999 V2000
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 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
M  END

$$$$
D02DDI
  -OEChem-10101305022D

 77 81  0     1  0  0  0  0  0999 V2000
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 40 75  1  0  0  0  0
 40 76  1  0  0  0  0
 40 77  1  0  0  0  0
M  END

$$$$
D02DDM
  -OEChem-10101305022D

 38 40  0     0  0  0  0  0  0999 V2000
    8.9282   -1.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    2.2500    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
    8.0622   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.9282   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -2.2500    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    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
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  1  8  1  0  0  0  0
  1  9  1  0  0  0  0
  2 10  1  0  0  0  0
  2 12  1  0  0  0  0
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  3 21  1  0  0  0  0
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  5 10  1  0  0  0  0
  6  8  1  0  0  0  0
  6 22  1  0  0  0  0
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  7  9  1  0  0  0  0
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  7 25  1  0  0  0  0
  8 26  1  0  0  0  0
  8 27  1  0  0  0  0
  9 28  1  0  0  0  0
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 10 11  2  0  0  0  0
 11 14  1  0  0  0  0
 11 30  1  0  0  0  0
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 12 15  2  0  0  0  0
 13 16  1  0  0  0  0
 13 17  2  0  0  0  0
 14 15  1  0  0  0  0
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 16 18  2  0  0  0  0
 17 19  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 20  2  0  0  0  0
 19 34  1  0  0  0  0
 20 35  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
M  END

$$$$
D02DEF
  -OEChem-10191522162D

 52 56  0     0  0  0  0  0  0999 V2000
    8.0622   -2.3147    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    9.0622   -1.3147    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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   10.4580    0.6853    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   11.1636    2.6468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1141    2.3362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9079    3.3147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1851    2.4406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7320   -1.8147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.1301    2.0277    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.0268    1.7223    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   10.1645    3.0602    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1 24  1  0  0  0  0
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 14 17  1  0  0  0  0
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 20 21  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 47  1  0  0  0  0
 25 27  1  0  0  0  0
 25 48  1  0  0  0  0
 26 28  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
M  END

$$$$
D02DFT
  -OEChem-10101305022D

 35 37  0     0  0  0  0  0  0999 V2000
    4.0421    0.1671    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    4.3543    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8511   -4.4206    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8511   -1.4206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3511    1.1182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7634    1.9272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6602    0.1671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3511    1.1182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9851   -1.9206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 10 13  1  0  0  0  0
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 11 24  1  0  0  0  0
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 13 25  1  0  0  0  0
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 16 28  1  0  0  0  0
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 18 19  1  0  0  0  0
 18 30  1  0  0  0  0
 20 32  1  0  0  0  0
 20 33  1  0  0  0  0
 20 34  1  0  0  0  0
M  END

$$$$
D02DGP
  -OEChem-10101305022D

137141  0     1  0  0  0  0  0999 V2000
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M  END

$$$$
D02DKM
  -OEChem-10101305022D

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 21 44  1  0  0  0  0
 21 45  1  0  0  0  0
M  END

$$$$
D02DKX
  -OEChem-10191522192D

 67 69  0     1  0  0  0  0  0999 V2000
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 34 66  1  0  0  0  0
M  END

$$$$
D02DLC
  -OEChem-10101305032D

 38 41  0     0  0  0  0  0  0999 V2000
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M  END

$$$$
D02DLW
  -OEChem-10111523542D

 74 77  0     1  0  0  0  0  0999 V2000
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 22  1  1  1  0  0  0
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 27 73  1  0  0  0  0
 27 74  1  0  0  0  0
 28 70  1  0  0  0  0
 28 71  1  0  0  0  0
 28 72  1  0  0  0  0
M  END

$$$$
D02DML
  -OEChem-10101305032D

 28 31  0     0  0  0  0  0  0999 V2000
    5.9065   -1.1814    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0505    0.8871    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   10.6901   -1.4571    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    5.4092    0.3492    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6904   -0.8071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.8840   -2.0460    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 11  1  0  0  0  0
  2 12  1  0  0  0  0
  3 12  2  0  0  0  0
  4 18  1  0  0  0  0
  4 27  1  0  0  0  0
  5 20  1  0  0  0  0
  5 28  1  0  0  0  0
  6  7  2  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
  8 10  2  0  0  0  0
  8 13  1  0  0  0  0
  9 11  2  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
 13 17  2  0  0  0  0
 13 21  1  0  0  0  0
 14 19  2  0  0  0  0
 14 22  1  0  0  0  0
 15 18  2  0  0  0  0
 15 23  1  0  0  0  0
 16 20  2  0  0  0  0
 16 24  1  0  0  0  0
 17 18  1  0  0  0  0
 17 25  1  0  0  0  0
 19 20  1  0  0  0  0
 19 26  1  0  0  0  0
M  END

$$$$
D02DOK
  MDL     03130713222D 1   1.00000     0.00000     0

 29 30  0     0  0            999 V2000
    6.3208   -8.4542    0.0000 H   0  0  0  0  0  0           0  0  0
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    2.4706   -8.9610    0.0000 C   0  0  0  0  0  0           0  0  0
    3.0828   -8.6060    0.0000 C   0  0  0  0  0  0           0  0  0
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 13 14  1  0     0  0
 14 15  1  0     0  0
 15 16  1  0     0  0
 16 17  1  0     0  0
  7  9  1  0     0  0
 15 18  1  0     0  0
 18 19  2  0     0  0
  9 10  1  0     0  0
 19 20  1  0     0  0
  5  6  2  0     0  0
 20 21  2  0     0  0
 10 11  1  0     0  0
 21 22  1  0     0  0
  3  4  2  0     0  0
 22 23  2  0     0  0
 23 18  1  0     0  0
 10 12  2  0     0  0
 22 24  1  0     0  0
 11 13  1  0     0  0
 20 25  1  0     0  0
  6  7  1  0     0  0
  8 26  1  0     0  0
 26 27  1  0     0  0
  7  8  2  0     0  0
  8  3  1  0     0  0
  5 28  1  0     0  0
  4  5  1  0     0  0
 11 17  1  0     0  0
  1  2  1  0     0  0
  4 29  1  0     0  0
M  END

$$$$
D02DOP
  -OEChem-10101305022D

 29 31  0     0  0  0  0  0  0999 V2000
    4.1701    1.2536    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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 10 22  1  0  0  0  0
 11 14  1  0  0  0  0
 11 23  1  0  0  0  0
 12 15  1  0  0  0  0
 12 19  1  0  0  0  0
 13 16  1  0  0  0  0
 13 24  1  0  0  0  0
 14 15  2  0  0  0  0
 14 25  1  0  0  0  0
 15 26  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
 18 29  1  0  0  0  0
M  END

$$$$
D02DOQ
  -OEChem-10101305032D

 39 39  0     0  0  0  0  0  0999 V2000
    2.5369   -1.2500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    0.2500    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    1.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1350    0.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1350    0.2500    0.0000 O   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
    6.6350    1.1160    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
    4.2690   -1.2500    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
    4.2690   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6350    1.1160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1350    1.9820    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   -0.7500    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
    5.1350   -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
    6.0150    1.1160    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
    3.7320   -2.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    3.0930    1.7869    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6490    2.7500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6720    2.2920    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8250    2.5190    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    8.2550    1.1160    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6350    1.7360    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8015   -0.2751    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0044   -0.2751    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5380   -2.5600    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
    2.0000   -0.9400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 16  1  0  0  0  0
  1 39  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  8  1  0  0  0  0
  4  7  1  0  0  0  0
  6  9  1  0  0  0  0
  6 10  2  0  0  0  0
  7 12  1  0  0  0  0
  7 13  1  0  0  0  0
  7 20  1  0  0  0  0
  8 14  1  0  0  0  0
  8 15  1  0  0  0  0
  8 19  1  0  0  0  0
  9 11  2  0  0  0  0
  9 16  1  0  0  0  0
 10 17  1  0  0  0  0
 10 21  1  0  0  0  0
 11 18  1  0  0  0  0
 11 22  1  0  0  0  0
 12 23  1  0  0  0  0
 12 33  1  0  0  0  0
 12 34  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 27  1  0  0  0  0
 14 28  1  0  0  0  0
 14 29  1  0  0  0  0
 15 24  1  0  0  0  0
 15 25  1  0  0  0  0
 15 26  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 37  1  0  0  0  0
 18 38  1  0  0  0  0
M  END

$$$$
D02DOX
  -OEChem-10101305022D

 37 42  0     0  0  0  0  0  0999 V2000
    6.7226    1.3323    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0443    1.0275    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0674   -0.8982    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8565    0.8323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9905    1.3323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9905    2.3323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8405   -0.2092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0443    2.6370    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7385   -0.7370    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4607    1.8323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5128   -1.7476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8565    2.8323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7226    2.3323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6326    0.8254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6406   -0.2162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4821   -1.8470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6369    3.5890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4293    1.9237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1527   -2.6158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0199   -2.8215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6079    3.7043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7132   -3.6007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6396   -3.7043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8517    0.4382    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8565    3.4523    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2595    2.6423    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    8.1787   -0.5241    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0067    4.0866    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0711    1.4176    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7691   -2.5491    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.3574    4.2714    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3831    2.9279    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0752   -4.1040    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3804   -4.2675    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  1 13  1  0  0  0  0
  1 14  1  0  0  0  0
  2  5  1  0  0  0  0
  2 10  1  0  0  0  0
  2 25  1  0  0  0  0
  3  7  1  0  0  0  0
  3 16  2  0  0  0  0
  4  5  1  0  0  0  0
  4  7  2  0  0  0  0
  5  6  2  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
  8 10  1  0  0  0  0
  8 17  2  0  0  0  0
  9 11  2  0  0  0  0
  9 15  1  0  0  0  0
 10 18  2  0  0  0  0
 11 16  1  0  0  0  0
 11 19  1  0  0  0  0
 12 13  2  0  0  0  0
 12 26  1  0  0  0  0
 13 27  1  0  0  0  0
 14 15  2  0  0  0  0
 14 28  1  0  0  0  0
 15 29  1  0  0  0  0
 16 20  1  0  0  0  0
 17 21  1  0  0  0  0
 17 30  1  0  0  0  0
 18 22  1  0  0  0  0
 18 31  1  0  0  0  0
 19 23  2  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 24  1  0  0  0  0
 23 36  1  0  0  0  0
 24 37  1  0  0  0  0
M  END

$$$$
D02DPK
  -OEChem-10191522132D

 49 49  0     0  0  0  0  0  0999 V2000
    3.7320    0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -2.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    0.7500    0.0000 O   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
    2.8660   -2.7500    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
    2.8660   -3.7500    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
    3.7320   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.7500    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
    7.1962    4.7500    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
    5.4641    1.7500    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
    4.5981    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.2500    0.0000 C   0  0  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   -0.7500    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
    2.0000   -5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1181    3.8326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7196    3.1423    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6540   -2.1674    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    7.7522    5.7869    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3800   -5.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.6200   -5.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.3700    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
    7.7331    0.4400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 18  1  0  0  0  0
  1 47  1  0  0  0  0
  2 16  2  0  0  0  0
  3 17  2  0  0  0  0
  4 19  1  0  0  0  0
  4 48  1  0  0  0  0
  5 20  1  0  0  0  0
  5 49  1  0  0  0  0
  6  8  1  0  0  0  0
  6 10  1  0  0  0  0
  6 24  1  0  0  0  0
  6 25  1  0  0  0  0
  7  9  1  0  0  0  0
  7 11  1  0  0  0  0
  7 26  1  0  0  0  0
  7 27  1  0  0  0  0
  8 14  1  0  0  0  0
  8 28  1  0  0  0  0
  8 29  1  0  0  0  0
  9 15  1  0  0  0  0
  9 30  1  0  0  0  0
  9 31  1  0  0  0  0
 10 16  1  0  0  0  0
 10 32  1  0  0  0  0
 10 33  1  0  0  0  0
 11 17  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 18  2  0  0  0  0
 12 20  1  0  0  0  0
 13 17  1  0  0  0  0
 13 18  1  0  0  0  0
 13 19  2  0  0  0  0
 14 22  1  0  0  0  0
 14 36  1  0  0  0  0
 14 37  1  0  0  0  0
 15 23  1  0  0  0  0
 15 38  1  0  0  0  0
 15 39  1  0  0  0  0
 19 21  1  0  0  0  0
 20 21  2  0  0  0  0
 21 40  1  0  0  0  0
 22 41  1  0  0  0  0
 22 42  1  0  0  0  0
 22 43  1  0  0  0  0
 23 44  1  0  0  0  0
 23 45  1  0  0  0  0
 23 46  1  0  0  0  0
M  END

$$$$
D02DPM
  -OEChem-10191521232D

 90 93  0     0  0  0  0  0  0999 V2000
   16.5348   -5.2194    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9889    5.2194    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.5348   -1.7088    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9889    1.7088    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.2619   -1.7320    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    8.2619    1.7320    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    5.2619    3.4641    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.2619   -3.4641    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.7619    0.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7619   -0.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7619   -2.5981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7619    2.5981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7619    0.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7619   -0.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2619    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2619    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1279   -1.2320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 35 40  1  0  0  0  0
 35 80  1  0  0  0  0
 36 39  1  0  0  0  0
 36 79  1  0  0  0  0
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 38 40  2  0  0  0  0
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 41 88  1  0  0  0  0
 42 85  1  0  0  0  0
 42 89  1  0  0  0  0
 42 90  1  0  0  0  0
M  CHG  2   5   1   6   1
M  END

$$$$
D02DQQ
  -OEChem-10191523032D

 32 31  0     1  0  0  0  0  0999 V2000
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  1 11  1  0  0  0  0
  1 32  1  0  0  0  0
  2 11  2  0  0  0  0
  9  3  1  6  0  0  0
  3 22  1  0  0  0  0
  3 23  1  0  0  0  0
  4 10  1  0  0  0  0
  4 12  2  0  0  0  0
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  5 14  1  0  0  0  0
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  6 31  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 16  1  0  0  0  0
  8 10  1  0  0  0  0
  8 17  1  0  0  0  0
  8 18  1  0  0  0  0
  9 11  1  0  0  0  0
  9 19  1  0  0  0  0
 10 20  1  0  0  0  0
 10 21  1  0  0  0  0
 13 24  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
 14 29  1  0  0  0  0
M  END

$$$$
D02DQT
  -OEChem-10191521532D

 55 58  0     1  0  0  0  0  0999 V2000
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    3.7320    3.3984    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291    0.9684    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4238   -4.3744    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7849   -0.6364    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7849    0.1931    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0483   -3.7830    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9253   -2.9176    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6200    3.7784    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    4.3984    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3800    3.7784    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 10  1  0  0  0  0
  1 17  1  0  0  0  0
  2 18  1  0  0  0  0
  2 32  1  0  0  0  0
  5 21  1  0  0  0  0
  5 31  1  0  0  0  0
  6 16  2  0  0  0  0
  7 24  1  0  0  0  0
  7 31  1  0  0  0  0
  8 11  1  0  0  0  0
  8 52  1  0  0  0  0
  9 30  1  0  0  0  0
  9 33  1  0  0  0  0
 12 10  1  6  0  0  0
 10 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 16  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 18  1  0  0  0  0
 14 37  1  0  0  0  0
 14 38  1  0  0  0  0
 15 19  2  0  0  0  0
 15 20  1  0  0  0  0
 17 22  2  0  0  0  0
 17 23  1  0  0  0  0
 18 25  2  0  0  0  0
 19 21  1  0  0  0  0
 19 39  1  0  0  0  0
 20 26  2  0  0  0  0
 20 40  1  0  0  0  0
 21 24  2  0  0  0  0
 22 27  1  0  0  0  0
 22 41  1  0  0  0  0
 23 28  2  0  0  0  0
 23 42  1  0  0  0  0
 24 26  1  0  0  0  0
 25 29  1  0  0  0  0
 25 43  1  0  0  0  0
 26 44  1  0  0  0  0
 27 30  2  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 32  2  0  0  0  0
 29 48  1  0  0  0  0
 31 49  1  0  0  0  0
 31 50  1  0  0  0  0
 32 51  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

$$$$
D02DRL
  -OEChem-10101305022D

 23 22  0     0  0  0  0  0  0999 V2000
    3.0000    2.6200    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8700    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.5981    4.1200    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.4641    5.6200    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7320    5.6200    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7320    2.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7320    3.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8660    2.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5981    2.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8660    1.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5981    1.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7320    0.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5981    5.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5200    4.2026    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1215    3.5123    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1350    2.4300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3291    0.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1350    0.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7320    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4641    6.2400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0010    5.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7320    6.2400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0000    2.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
  2 23  1  0  0  0  0
  3  7  1  0  0  0  0
  3 13  1  0  0  0  0
  4 13  1  0  0  0  0
  4 20  1  0  0  0  0
  4 21  1  0  0  0  0
  5 13  2  0  0  0  0
  5 22  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6  9  2  0  0  0  0
  7 14  1  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 16  1  0  0  0  0
 10 12  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 19  1  0  0  0  0
M  END

$$$$
D02DTR
  -OEChem-10101305022D

 38 40  0     0  0  0  0  0  0999 V2000
    4.5981   -0.2694    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    3.7306    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -4.7694    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0981    5.2694    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.7694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.2694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.7694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.2694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.7306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.7306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.2306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.2306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    2.2306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.2306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.7694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.7694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4071    4.3184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -4.7694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7891    4.3184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -5.2694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0981    5.2694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9441   -2.3520    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3426   -1.6618    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6540   -1.6868    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2554   -2.3771    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5200   -0.1868    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1215   -0.8771    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    0.9206    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951    0.9206    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    2.5406    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951    2.5406    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -3.4594    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -3.4594    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9967    4.1268    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -5.0794    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1994    4.1268    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -5.8894    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4625    5.7710    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
  2 10  1  0  0  0  0
  2 17  1  0  0  0  0
  2 19  1  0  0  0  0
  3 16  1  0  0  0  0
  3 20  2  0  0  0  0
  4 19  2  0  0  0  0
  4 21  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 22  1  0  0  0  0
  5 23  1  0  0  0  0
  6  8  1  0  0  0  0
  6 24  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 15  1  0  0  0  0
  8 16  2  0  0  0  0
  9 11  2  0  0  0  0
  9 12  1  0  0  0  0
 10 13  2  0  0  0  0
 10 14  1  0  0  0  0
 11 13  1  0  0  0  0
 11 28  1  0  0  0  0
 12 14  2  0  0  0  0
 12 29  1  0  0  0  0
 13 30  1  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 33  1  0  0  0  0
 17 21  2  0  0  0  0
 17 34  1  0  0  0  0
 18 20  1  0  0  0  0
 18 35  1  0  0  0  0
 19 36  1  0  0  0  0
 20 37  1  0  0  0  0
 21 38  1  0  0  0  0
M  END

$$$$
D02DUJ
  -OEChem-10101305022D

 44 45  0     1  0  0  0  0  0999 V2000
    3.9935    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    8.8474    3.7719    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.7805    4.9937    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4138    6.6865    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8969    4.0826    0.0000 N   0  3  3  0  0  0  0  0  0  0  0  0
    6.7852    5.6200    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    1.1311    5.5226    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2852    4.0812    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.0942    4.6690    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.5948    3.1366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5889    3.1374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4761    4.6690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7852    5.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4761    3.4934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4861    4.8906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3730    6.4290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4607    4.4367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1002    6.4048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7578    5.2054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0797    6.1961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1085    5.7343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4591    6.2632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7825    5.1677    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9886    3.0064    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6605    2.5200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5242    2.5208    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1953    3.0083    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1117    3.9950    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9746    3.1290    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8406    2.9918    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9870    4.5253    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8514    5.3915    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9851    5.2559    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8745    6.0646    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7374    6.9306    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8714    6.7935    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2760    3.8449    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2986    6.9922    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6666    6.6584    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9418    4.9322    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9183    6.6798    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0425    6.7223    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.8465    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9935    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 44  1  0  0  0  0
  2  5  1  0  0  0  0
  3 19  1  0  0  0  0
  3 21  1  0  0  0  0
  4 21  2  0  0  0  0
  5  9  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 13  1  0  0  0  0
  6 16  1  0  0  0  0
  7 21  1  0  0  0  0
  7 22  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 12  1  0  0  0  0
  8 14  1  6  0  0  0
  9 23  1  6  0  0  0
 10 11  1  0  0  0  0
 10 24  1  0  0  0  0
 10 25  1  0  0  0  0
 11 26  1  0  0  0  0
 11 27  1  0  0  0  0
 12 13  2  0  0  0  0
 12 17  1  0  0  0  0
 13 18  1  0  0  0  0
 14 28  1  0  0  0  0
 14 29  1  0  0  0  0
 14 30  1  0  0  0  0
 15 31  1  0  0  0  0
 15 32  1  0  0  0  0
 15 33  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 19  2  0  0  0  0
 17 37  1  0  0  0  0
 18 20  2  0  0  0  0
 18 38  1  0  0  0  0
 19 20  1  0  0  0  0
 20 39  1  0  0  0  0
 22 41  1  0  0  0  0
 22 42  1  0  0  0  0
 22 43  1  0  0  0  0
M  CHG  2   2  -1   5   1
M  END

$$$$
D02DUO
  -OEChem-10101305032D

 63 67  0     1  0  0  0  0  0999 V2000
    7.1962    0.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    3.2500    0.0000 N   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
    5.4641    3.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -1.2500    0.0000 N   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
    2.8660    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  3  0  0  0  0  0  0  0  0  0
    2.8660    4.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    3.2500    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
    4.5981    2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    1.7500    0.0000 C   0  0  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
    6.3301    2.7500    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
    7.2241    1.2153    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
    7.2241    3.2847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1 18  2  0  0  0  0
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  2  7  1  0  0  0  0
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 17 47  1  0  0  0  0
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 25 27  1  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
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 27 58  1  0  0  0  0
 28 29  2  0  0  0  0
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 29 31  1  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 33  2  0  0  0  0
 31 61  1  0  0  0  0
 32 33  1  0  0  0  0
 32 62  1  0  0  0  0
 33 63  1  0  0  0  0
M  END

$$$$
D02DVT
  -OEChem-10101305022D

 48 50  0     0  0  0  0  0  0999 V2000
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    5.4641   -4.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.5981    3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.4641   -3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 10 14  2  0  0  0  0
 10 16  1  0  0  0  0
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 11 32  1  0  0  0  0
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 17 23  2  0  0  0  0
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 18 24  2  0  0  0  0
 18 40  1  0  0  0  0
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 20 25  2  0  0  0  0
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 21 43  1  0  0  0  0
 22 25  1  0  0  0  0
 22 44  1  0  0  0  0
 23 26  1  0  0  0  0
 23 45  1  0  0  0  0
M  END

$$$$
D02DWE
  -OEChem-10101305032D

 43 42  0     0  0  0  0  0  0999 V2000
    8.9282   -0.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5263    0.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.1244   -0.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.2500    0.0000 O   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
    8.0622    0.2500    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
    7.1962   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3923   -0.2500    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
   13.2583    0.2500    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
   14.9904    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8564   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1928    0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1  6  1  0  0  0  0
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  2  8  1  0  0  0  0
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 10 12  1  0  0  0  0
 10 26  1  0  0  0  0
 10 27  1  0  0  0  0
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 11 28  1  0  0  0  0
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 12 32  1  0  0  0  0
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 13 30  1  0  0  0  0
 13 31  1  0  0  0  0
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 14 36  1  0  0  0  0
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 15 17  1  0  0  0  0
 15 34  1  0  0  0  0
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 16 40  1  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
M  END

$$$$
D02DXP
  -OEChem-04152108512D

 16 15  0     1  0  0  0  0  0999 V2000
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M  END

$$$$
D02DYB
  -OEChem-10101305022D

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M  END

$$$$
D02DYG
  -OEChem-10101305032D

 29 30  0     0  0  0  0  0  0999 V2000
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 17 27  1  0  0  0  0
M  END

$$$$
D02DYZ
  -OEChem-10101305022D

 60 64  0     1  0  0  0  0  0999 V2000
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    6.9329    0.7155    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6240   -0.5811    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4124   -0.3235    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    6.6643    2.2654    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8449    0.0333    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   11.3386   -1.8076    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.7687   -0.4046    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.1486   -3.2105    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.5786   -1.8076    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  9  1  1  1  0  0  0
  1 49  1  0  0  0  0
  2 20  2  0  0  0  0
  3 24  1  0  0  0  0
  3 56  1  0  0  0  0
  4 20  1  0  0  0  0
  4 25  1  0  0  0  0
  4 52  1  0  0  0  0
  5 29  2  0  0  0  0
  5 30  1  0  0  0  0
  6  7  1  0  0  0  0
  6  9  1  0  0  0  0
  6 12  1  0  0  0  0
  6 16  1  1  0  0  0
  7  8  1  0  0  0  0
  7 11  1  0  0  0  0
  7 31  1  0  0  0  0
  8 10  1  0  0  0  0
  8 15  1  0  0  0  0
  8 32  1  0  0  0  0
  9 13  1  0  0  0  0
  9 33  1  0  0  0  0
 10 14  1  0  0  0  0
 10 17  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 14  1  0  0  0  0
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 12 38  1  0  0  0  0
 13 20  1  0  0  0  0
 13 39  1  0  0  0  0
 14 40  1  0  0  0  0
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 15 18  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 19  2  0  0  0  0
 17 21  1  0  0  0  0
 18 19  1  0  0  0  0
 18 47  1  0  0  0  0
 18 48  1  0  0  0  0
 19 22  1  0  0  0  0
 21 23  2  0  0  0  0
 21 50  1  0  0  0  0
 22 24  2  0  0  0  0
 22 51  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
 25 54  1  0  0  0  0
 25 55  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 57  1  0  0  0  0
 28 30  2  0  0  0  0
 28 58  1  0  0  0  0
 29 59  1  0  0  0  0
 30 60  1  0  0  0  0
M  END

$$$$
D02DZN
  -OEChem-10111523052D

 67 42  0     0  0  0  0  0  0999 V2000
    5.9183    2.2411    0.0000 Ru  0  0  0  0  0  0  0  0  0  0  0  0
    7.7240    2.3991    0.0000 Ru  0  0  0  0  0  0  0  0  0  0  0  0
    4.0674    1.5676    0.0000 Ru  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2472    0.0000 Cl  0  5  0  0  0  0  0  0  0  0  0  0
    0.0000    6.7472    0.0000 Cl  0  5  0  0  0  0  0  0  0  0  0  0
    5.6720    5.9945    0.0000 Cl  0  5  0  0  0  0  0  0  0  0  0  0
    5.6720    8.4945    0.0000 Cl  0  5  0  0  0  0  0  0  0  0  0  0
    5.6720   10.9945    0.0000 Cl  0  5  0  0  0  0  0  0  0  0  0  0
   11.3440    5.4972    0.0000 Cl  0  5  0  0  0  0  0  0  0  0  0  0
    6.7843    2.7411    0.0000 O   0  6  0  0  0  0  0  0  0  0  0  0
    5.0523    1.7411    0.0000 O   0  6  0  0  0  0  0  0  0  0  0  0
    5.0523    2.7411    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9183    1.2411    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    6.9031    2.0675    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.2240    1.5331    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    8.2240    3.2651    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    3.8936    0.5828    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    4.7102    0.8014    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3014    2.2102    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8938    2.5523    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    6.7954    1.4569    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4857    1.8554    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9183    3.8611    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4434    3.6396    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3932    3.6397    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9183    0.6211    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2983    1.2411    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4552    0.9311    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8402    3.3237    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6538    2.2661    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6721    2.7411    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3474    1.6487    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9489    2.9090    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0135    3.6940    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4427    3.9945    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5837    0.0457    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2832    0.4751    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1057    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    7.3565    1.2814    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5340    3.8020    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0120    3.8477    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8346    3.3728    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3440    2.3991    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1225    1.9241    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1225    2.8740    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5340    0.9961    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9140    0.9961    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8346    1.4255    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6818    1.9697    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2923    3.0272    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7862    3.1628    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8265    2.6088    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6814    2.2103    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3014    2.8302    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0201    0.2643    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3208    0.6937    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6026    0.1907    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
 12 35  1  0  0  0  0
 12 36  1  0  0  0  0
 12 37  1  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 29  1  0  0  0  0
 14 30  1  0  0  0  0
 14 31  1  0  0  0  0
 15 26  1  0  0  0  0
 15 27  1  0  0  0  0
 15 28  1  0  0  0  0
 16 56  1  0  0  0  0
 16 57  1  0  0  0  0
 16 58  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 50  1  0  0  0  0
 18 51  1  0  0  0  0
 18 52  1  0  0  0  0
 19 38  1  0  0  0  0
 19 48  1  0  0  0  0
 19 49  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 45  1  0  0  0  0
 22 46  1  0  0  0  0
 22 47  1  0  0  0  0
 23 65  1  0  0  0  0
 23 66  1  0  0  0  0
 23 67  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
 25 59  1  0  0  0  0
 25 60  1  0  0  0  0
 25 61  1  0  0  0  0
M  CHG  8   2   5   3   5   4  -1   5  -1   6  -1   7  -1   8  -1   9  -1
M  CHG  2  10  -2  11  -2
M  END

$$$$
D02EAO
  -OEChem-10101305022D

 43 46  0     0  0  0  0  0  0999 V2000
    4.5981    2.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    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
    2.0000    3.5000    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
    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
    3.7320   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9939    0.0000    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
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    3.7320   -2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8660   -4.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1 13  1  0  0  0  0
  1 35  1  0  0  0  0
  2 13  2  0  0  0  0
  2 16  1  0  0  0  0
  3 14  1  0  0  0  0
  3 17  1  0  0  0  0
  3 36  1  0  0  0  0
  4 15  1  0  0  0  0
  4 16  2  0  0  0  0
  5 15  1  0  0  0  0
  5 17  2  0  0  0  0
  6 16  1  0  0  0  0
  6 18  1  0  0  0  0
  6 38  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  1  0  0  0  0
 14 15  2  0  0  0  0
 17 37  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 39  1  0  0  0  0
 20 22  2  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 23  1  0  0  0  0
 22 42  1  0  0  0  0
 23 43  1  0  0  0  0
M  END

$$$$
D02EAP
  -OEChem-10101305022D

 27 29  0     0  0  0  0  0  0999 V2000
    3.6448    2.8556    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.9538    1.9045    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.6750    0.1444    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.9434    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9538    1.9045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3660    1.0955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2628    2.8556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4538    3.4434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3660    1.0955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.4434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0570    0.1444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.4434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.9434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.9434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.9434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.4434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3414    2.0015    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8292    2.6034    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5728    3.3925    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8687    3.9041    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0390    3.9041    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0016    1.5971    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4674   -0.0472    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -1.6334    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -1.6334    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -3.2534    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -4.0634    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1  8  1  0  0  0  0
  2  5  1  0  0  0  0
  2  7  1  0  0  0  0
  3  6  1  0  0  0  0
  3 10  1  0  0  0  0
  4 14  1  0  0  0  0
  4 16  2  0  0  0  0
  5  6  1  0  0  0  0
  5 17  1  0  0  0  0
  6  9  2  0  0  0  0
  7  8  1  0  0  0  0
  7 18  1  0  0  0  0
  7 19  1  0  0  0  0
  8 20  1  0  0  0  0
  8 21  1  0  0  0  0
  9 11  1  0  0  0  0
  9 22  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 11 23  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  2  0  0  0  0
 13 15  2  0  0  0  0
 13 24  1  0  0  0  0
 14 25  1  0  0  0  0
 15 16  1  0  0  0  0
 15 26  1  0  0  0  0
 16 27  1  0  0  0  0
M  END

$$$$
D02EBQ
  -OEChem-10191521322D

 17 17  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
    4.5981   -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
    2.8660   -0.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.0600    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
    5.4641   -0.5600    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
    5.4641   -1.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2554    0.0477    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6540   -0.6426    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951   -1.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -0.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -1.8700    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  9  1  0  0  0  0
  1 17  1  0  0  0  0
  2  9  2  0  0  0  0
  3  7  1  0  0  0  0
  3 10  2  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4  7  2  0  0  0  0
  5  9  1  0  0  0  0
  5 11  1  0  0  0  0
  5 12  1  0  0  0  0
  6  8  2  0  0  0  0
  6 13  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
 10 16  1  0  0  0  0
M  END

$$$$
D02ECA
  -OEChem-10101305032D

 51 54  0     1  0  0  0  0  0999 V2000
    6.7101    1.1333    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.1278    1.8378    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3644    4.2648    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7657    5.2829    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5290    2.8559    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2101   -6.4055    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9413    3.6649    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.3480    4.5784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9467    3.5604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1223    1.9423    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7101    1.1333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2101   -0.4055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7602    5.3874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3425    4.6830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2101   -1.4055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4011    0.1823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3590    4.3694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2101   -3.4055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0191    0.1823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1669    6.3010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7492    5.5965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3441   -1.9055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0761   -1.9055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3441   -2.9055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0761   -2.9055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1615    6.4055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2101   -4.4055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0761   -4.9055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3441   -4.9055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0761   -5.9055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3441   -5.9055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5579    3.7297    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    7.6130   -4.5955    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8071   -4.5955    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 19  1  0  0  0  0
  2 10  2  0  0  0  0
  3 17  1  0  0  0  0
  3 49  1  0  0  0  0
  4 17  2  0  0  0  0
  7  5  1  6  0  0  0
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  7 32  1  0  0  0  0
  8 13  2  0  0  0  0
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 10 11  1  0  0  0  0
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 13 20  1  0  0  0  0
 13 36  1  0  0  0  0
 14 21  2  0  0  0  0
 14 37  1  0  0  0  0
 15 22  2  0  0  0  0
 15 23  1  0  0  0  0
 16 38  1  0  0  0  0
 18 24  2  0  0  0  0
 18 25  1  0  0  0  0
 18 27  1  0  0  0  0
 19 39  1  0  0  0  0
 20 26  2  0  0  0  0
 20 42  1  0  0  0  0
 21 26  1  0  0  0  0
 21 43  1  0  0  0  0
 22 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
 24 44  1  0  0  0  0
 25 45  1  0  0  0  0
 26 46  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 47  1  0  0  0  0
 29 31  2  0  0  0  0
 29 48  1  0  0  0  0
 30 50  1  0  0  0  0
 31 51  1  0  0  0  0
M  END

$$$$
D02EFK
  -OEChem-10101305022D

 56 58  0     1  0  0  0  0  0999 V2000
    8.0622    1.0000    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
    9.7942   -1.0000    0.0000 O   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
    8.9282   -0.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    5.4641    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
    6.3301   -1.0000    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
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 11 15  1  0  0  0  0
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 13 18  2  0  0  0  0
 13 19  1  0  0  0  0
 15 20  2  0  0  0  0
 15 21  1  0  0  0  0
 16 22  1  0  0  0  0
 16 40  1  0  0  0  0
 17 23  2  0  0  0  0
 17 41  1  0  0  0  0
 18 24  1  0  0  0  0
 18 42  1  0  0  0  0
 19 25  2  0  0  0  0
 19 43  1  0  0  0  0
 20 26  1  0  0  0  0
 20 44  1  0  0  0  0
 21 27  2  0  0  0  0
 21 45  1  0  0  0  0
 22 28  2  0  0  0  0
 22 47  1  0  0  0  0
 23 28  1  0  0  0  0
 23 48  1  0  0  0  0
 24 29  2  0  0  0  0
 24 49  1  0  0  0  0
 25 29  1  0  0  0  0
 25 50  1  0  0  0  0
 26 30  2  0  0  0  0
 26 51  1  0  0  0  0
 27 30  1  0  0  0  0
 27 52  1  0  0  0  0
 28 53  1  0  0  0  0
 29 54  1  0  0  0  0
 30 55  1  0  0  0  0
M  END

$$$$
D02EFQ
  -OEChem-10101305022D

 42 43  0     1  0  0  0  0  0999 V2000
    3.0000   -5.3100    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    1.6900    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.0000    1.6900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.6900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.0000    2.6900    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7320    2.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8660    3.1900    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.5981    3.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7320    1.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    0.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.9081    2.6531    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1350    3.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.1120    1.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    1.5970    0.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4030    0.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5970   -1.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4030   -1.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7320    5.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5970   -2.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4030   -2.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5970   -4.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4030   -4.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 24  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  2  0  0  0  0
  2  7  1  0  0  0  0
  2 12  1  0  0  0  0
  5 13  1  0  0  0  0
  5 38  1  0  0  0  0
  6 13  2  0  0  0  0
  9  7  1  1  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 11  1  0  0  0  0
  8 25  1  0  0  0  0
  9 13  1  0  0  0  0
  9 26  1  0  0  0  0
 10 28  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
 11 33  1  0  0  0  0
 12 14  2  0  0  0  0
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 14 17  1  0  0  0  0
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 15 18  2  0  0  0  0
 15 35  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 16 19  1  0  0  0  0
 17 36  1  0  0  0  0
 18 37  1  0  0  0  0
 19 20  2  0  0  0  0
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 20 22  1  0  0  0  0
 20 39  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

$$$$
D02EFX
  -OEChem-10191521412D

 54 57  0     1  0  0  0  0  0999 V2000
    8.2788    4.8706    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.6682    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3176    2.2833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5575    5.3318    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -5.3318    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.8318    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    3.6682    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    4.6682    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -4.3318    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    6.3301    3.1682    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
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    6.3301    2.1682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    3.1682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1097    3.2614    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    3.6682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3007    4.6627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7788    4.0046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.6682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.5981    0.1682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.4641   -1.3318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    3.6682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.5981   -0.8318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1 16  1  0  0  0  0
  1 17  1  0  0  0  0
  2 12  1  0  0  0  0
  2 18  1  0  0  0  0
  3 14  2  0  0  0  0
  4 16  2  0  0  0  0
  5  9  1  0  0  0  0
  6  9  2  0  0  0  0
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  8 25  1  0  0  0  0
  9 31  1  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
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 13 15  1  0  0  0  0
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 13 40  1  0  0  0  0
 14 17  1  0  0  0  0
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 15 20  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 22  1  0  0  0  0
 19 24  1  0  0  0  0
 19 43  1  0  0  0  0
 20 25  2  0  0  0  0
 20 44  1  0  0  0  0
 21 26  1  0  0  0  0
 21 45  1  0  0  0  0
 22 27  2  0  0  0  0
 22 46  1  0  0  0  0
 23 26  2  0  0  0  0
 23 27  1  0  0  0  0
 23 28  1  0  0  0  0
 24 49  1  0  0  0  0
 25 50  1  0  0  0  0
 26 47  1  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
 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 33  2  0  0  0  0
 32 33  1  0  0  0  0
 32 53  1  0  0  0  0
 33 54  1  0  0  0  0
M  CHG  2   5  -1   9   1
M  END

$$$$
D02EHL
  -OEChem-10101305022D

 30 32  0     0  0  0  0  0  0999 V2000
    4.6783   -0.8561    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.9529    0.8997    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    5.2619   -0.0514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783    0.7533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.4486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.5514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.9486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.0514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.4486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.5514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.7499   -1.6704    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2615   -0.9663    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2615   -0.1365    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3677    1.3604    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3464    1.0286    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8709    1.3427    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.5686    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.6714    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    0.7586    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -0.8614    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
  1 11  1  0  0  0  0
  2  3  1  0  0  0  0
  2 24  1  0  0  0  0
  2 25  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3  8  1  0  0  0  0
  4  6  1  0  0  0  0
  4 16  1  0  0  0  0
  4 17  1  0  0  0  0
  5  7  1  0  0  0  0
  5 18  1  0  0  0  0
  5 19  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 22  1  0  0  0  0
  7 23  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
  9 26  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  2  0  0  0  0
 11 13  2  0  0  0  0
 12 14  1  0  0  0  0
 12 27  1  0  0  0  0
 13 15  1  0  0  0  0
 13 28  1  0  0  0  0
 14 15  2  0  0  0  0
 14 29  1  0  0  0  0
 15 30  1  0  0  0  0
M  END

$$$$
D02EHQ
  -OEChem-10191522042D

 53 56  0     1  0  0  0  0  0999 V2000
    8.0319    1.8625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7950    1.1062    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0465    2.4920    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.4462    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3931   -0.3938    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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M  END

$$$$
D02EHY
  -OEChem-10191521312D

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M  END

$$$$
D02EHZ
  -OEChem-10101305032D

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    3.2424   -3.1850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5110    0.7510    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 20  1  0  0  0  0
  2  4  2  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  2 11  1  0  0  0  0
  3 11  1  0  0  0  0
  3 20  1  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 19  2  0  0  0  0
  8  9  1  0  0  0  0
  8 12  2  0  0  0  0
  9 10  2  0  0  0  0
 10 13  1  0  0  0  0
 10 15  1  0  0  0  0
 11 16  2  0  0  0  0
 12 14  1  0  0  0  0
 12 22  1  0  0  0  0
 13 14  2  0  0  0  0
 13 23  1  0  0  0  0
 14 24  1  0  0  0  0
 15 17  2  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 19  1  0  0  0  0
 17 27  1  0  0  0  0
 18 20  2  0  0  0  0
 18 28  1  0  0  0  0
 19 29  1  0  0  0  0
M  END

$$$$
D02EIB
  -OEChem-10101305022D

 41 44  0     0  0  0  0  0  0999 V2000
    2.9180    0.0254    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1142    3.0254    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7841   -2.4746    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7841   -0.4746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6501   -0.9746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9180   -0.9746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9180   -1.9746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6501   -1.9746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6501    0.0254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6501    1.0254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9180    1.0254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7841    1.5254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5161    1.5254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0080    1.5322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8001    2.5669    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.5738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9021    3.0946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3821    1.0254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5161    2.5254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2482    1.5254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3821    3.0254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2482    2.5254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2607   -1.0823    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8621   -0.3920    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7060   -0.3920    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3074   -1.0823    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8621   -2.5572    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2607   -1.8670    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3074   -1.8670    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7060   -2.5572    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1870   -0.2846    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7841   -3.0946    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4747    1.2160    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3406    2.8706    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4619    2.8817    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9045    3.7146    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3821    0.4054    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9792    2.8354    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7851    1.2154    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3821    3.6454    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6511    2.7154    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 22  1  0  0  0  0
  2 41  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  3 32  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4  9  1  0  0  0  0
  5  8  1  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 25  1  0  0  0  0
  6 26  1  0  0  0  0
  7 29  1  0  0  0  0
  7 30  1  0  0  0  0
  8 27  1  0  0  0  0
  8 28  1  0  0  0  0
  9 10  2  0  0  0  0
  9 31  1  0  0  0  0
 10 12  1  0  0  0  0
 10 13  1  0  0  0  0
 11 12  1  0  0  0  0
 11 14  2  0  0  0  0
 12 15  2  0  0  0  0
 13 18  2  0  0  0  0
 13 19  1  0  0  0  0
 14 16  1  0  0  0  0
 14 33  1  0  0  0  0
 15 17  1  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 36  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
M  END

$$$$
D02EIK
  -OEChem-04152122252D

 16 16  0     0  0  0  0  0  0999 V2000
    3.0000   -2.6550    0.0000 Hg  0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    1.3450    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    2.3450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0000    1.3450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.3450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    0.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8660   -0.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1340   -0.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8660   -1.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1340   -1.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -1.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4030    0.1550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5970    0.1550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4030   -1.4650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5970   -1.4650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5369    2.6550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  2  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3 16  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  7  9  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
  9 14  1  0  0  0  0
 10 11  1  0  0  0  0
 10 15  1  0  0  0  0
M  END

$$$$
D02EJM
  -OEChem-04152110232D

 33 35  0     0  0  0  0  0  0999 V2000
    5.5443    0.0547    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1279   -0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5443   -1.5547    0.0000 N   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
    4.5981   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1279   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1279   -0.7500    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
    2.8660   -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
    3.7320    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6279    0.1160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6279   -1.6160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6279    0.1160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6279   -1.6160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1279   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.2500    0.0000 C   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
    2.3291    0.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    1.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3179    0.6530    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3179   -2.1530    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9379    0.6530    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9379   -2.1530    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    2.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900    1.7869    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    0.9400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100    0.7131    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4379   -1.2869    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1  8  1  0  0  0  0
  2 12  1  0  0  0  0
  2 29  1  0  0  0  0
  3 18  1  0  0  0  0
  3 33  1  0  0  0  0
  4  6  1  0  0  0  0
  4  8  2  0  0  0  0
  5  6  1  0  0  0  0
  5  7  2  0  0  0  0
  6 10  2  0  0  0  0
  7 11  1  0  0  0  0
  7 13  1  0  0  0  0
  8  9  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 21  1  0  0  0  0
 11 12  2  0  0  0  0
 11 22  1  0  0  0  0
 13 19  2  0  0  0  0
 13 23  1  0  0  0  0
 14 16  1  0  0  0  0
 14 24  1  0  0  0  0
 15 17  2  0  0  0  0
 15 25  1  0  0  0  0
 16 18  2  0  0  0  0
 16 26  1  0  0  0  0
 17 18  1  0  0  0  0
 17 27  1  0  0  0  0
 19 20  1  0  0  0  0
 19 28  1  0  0  0  0
 20 30  1  0  0  0  0
 20 31  1  0  0  0  0
 20 32  1  0  0  0  0
M  END

$$$$
D02EKR
  -OEChem-10101305022D

 31 31  0     1  0  0  0  0  0999 V2000
    2.0000   -3.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.5000    0.0000 C   0  0  3  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
    3.7320    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    1.5000    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
    2.8660   -1.5000    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   -2.5000    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
    3.7320   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3342    0.9250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.3800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0611    1.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1541   -0.5369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -0.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7741    0.5369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0841    3.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    3.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8441    3.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0201    0.9631    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    1.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6401    2.0369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -1.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -1.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -2.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  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 18  1  0  0  0  0
  4  6  1  0  0  0  0
  4  7  1  0  0  0  0
  4 16  1  0  0  0  0
  5  8  1  0  0  0  0
  5  9  1  0  0  0  0
  5 17  1  0  0  0  0
  6 10  1  0  0  0  0
  7 19  1  0  0  0  0
  7 20  1  0  0  0  0
  7 21  1  0  0  0  0
  8 22  1  0  0  0  0
  8 23  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
  9 27  1  0  0  0  0
 10 11  2  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
 12 14  2  0  0  0  0
 12 29  1  0  0  0  0
 13 15  2  0  0  0  0
 14 15  1  0  0  0  0
 14 30  1  0  0  0  0
 15 31  1  0  0  0  0
M  END

$$$$
D02ELA
  -OEChem-10101305022D

 27 26  0     1  0  0  0  0  0999 V2000
    6.8671    1.8100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    3.3100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    2.3100    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -1.1900    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -2.6900    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    0.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    1.8100    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.2690   -0.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    2.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -2.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -2.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3471    0.2274    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7456    0.9177    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0569    0.8926    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6584    0.2023    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    2.4300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4810   -1.2726    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8796   -0.5823    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    2.9300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9590   -3.2269    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8059   -3.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5790   -2.1531    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4040    2.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -3.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.3800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
  1 25  1  0  0  0  0
  2 10  2  0  0  0  0
  3  8  1  0  0  0  0
  3 20  1  0  0  0  0
  3 21  1  0  0  0  0
  4  9  1  0  0  0  0
  4 11  2  0  0  0  0
  5 11  1  0  0  0  0
  5 26  1  0  0  0  0
  5 27  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6 13  1  0  0  0  0
  6 14  1  0  0  0  0
  7  9  1  0  0  0  0
  7 15  1  0  0  0  0
  7 16  1  0  0  0  0
  8 10  1  0  0  0  0
  8 17  1  0  0  0  0
  9 18  1  0  0  0  0
  9 19  1  0  0  0  0
 11 12  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
M  END

$$$$
D02ELG
  -OEChem-10101305032D

 36 37  0     1  0  0  0  0  0999 V2000
    4.2690   -0.5950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -3.5950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -2.5950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -0.5950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -2.5950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    0.4050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    3.9050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -2.5950    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.4030   -2.0950    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.1350   -2.0950    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.4030   -1.0950    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.1350   -1.0950    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.5369   -0.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    0.4050    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
    5.1350    0.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    1.9050    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
    6.0010    2.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    3.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8059   -2.9050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -2.7150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -2.7150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -0.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -0.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9264   -0.4873    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3249   -1.1776    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.9050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.2850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5380   -2.2850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.7150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4040    0.5950    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.5950    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4040    2.2150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.2150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    3.7150    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
  8  2  1  1  0  0  0
  2 28  1  0  0  0  0
  9  3  1  6  0  0  0
  3 29  1  0  0  0  0
 12  4  1  1  0  0  0
  4 14  1  0  0  0  0
 10  5  1  6  0  0  0
  5 30  1  0  0  0  0
  6 13  1  0  0  0  0
  6 31  1  0  0  0  0
  7 20  2  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 21  1  0  0  0  0
  9 11  1  0  0  0  0
  9 22  1  0  0  0  0
 10 12  1  0  0  0  0
 10 23  1  0  0  0  0
 11 13  1  1  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
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
 15 32  1  0  0  0  0
 16 18  2  0  0  0  0
 16 33  1  0  0  0  0
 17 19  2  0  0  0  0
 17 34  1  0  0  0  0
 18 19  1  0  0  0  0
 18 35  1  0  0  0  0
 19 20  1  0  0  0  0
 20 36  1  0  0  0  0
M  END

$$$$
D02EMH
  -OEChem-10191521382D

 49 49  0     0  0  0  0  0  0999 V2000
    5.5981   -5.0600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1962    4.4400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4641    4.4400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -3.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -4.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8660   -3.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8660   -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
    2.5000   -2.6940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7320   -3.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7320   -4.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8660   -2.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5981   -3.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7320   -1.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7320   -0.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8660   -0.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5981   -0.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5981    0.9400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4641    1.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4641    2.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5981    2.9400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3301    2.9400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3301    3.9400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3894   -4.4523    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7880   -5.1426    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4675   -5.5350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2646   -5.5350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0369   -2.3840    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1900   -2.1570    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9631   -3.0040    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
    1.3800   -3.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -4.1800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3291   -1.7500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9081   -3.5969    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1350   -2.7500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2881   -2.5231    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2690   -1.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1760    0.4769    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3291    0.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5560   -0.5969    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1350   -0.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0611    1.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0010    1.1300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9081    3.4769    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0611    3.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2881    2.4031    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8671    2.6300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1962    5.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  2  0  0  0  0
  2 23  1  0  0  0  0
  2 49  1  0  0  0  0
  3 23  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
  4  9  1  0  0  0  0
  5  7  1  0  0  0  0
  5 24  1  0  0  0  0
  5 25  1  0  0  0  0
  6 10  2  0  0  0  0
  6 12  1  0  0  0  0
  7 11  1  0  0  0  0
  7 26  1  0  0  0  0
  7 27  1  0  0  0  0
  8 31  1  0  0  0  0
  8 32  1  0  0  0  0
  8 33  1  0  0  0  0
  9 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 13  1  0  0  0  0
 12 14  2  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 15  1  0  0  0  0
 14 38  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  2  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  1  0  0  0  0
 17 42  1  0  0  0  0
 18 19  2  0  0  0  0
 18 43  1  0  0  0  0
 19 20  1  0  0  0  0
 19 44  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  2  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 23  1  0  0  0  0
 22 48  1  0  0  0  0
M  END

$$$$
D02ENH
  -OEChem-10101305032D

 37 38  0     1  0  0  0  0  0999 V2000
    6.0010    4.2500    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.0010    3.2500    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.0010    3.2500    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -0.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -1.2500    0.0000 C   0  0  2  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   -2.2500    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
    6.0010    0.2500    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
    6.0010   -2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    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
    4.2690   -3.7500    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
    6.0010    2.2500    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
    5.1350   -4.2500    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
    5.1350   -0.6300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6675   -0.2751    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8705   -0.2751    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0044   -1.7250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8015   -1.7250    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
    6.5380   -2.4400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4040    0.4400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.4400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -4.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5380   -4.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -0.1300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4040    2.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.0600    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
  1 21  1  0  0  0  0
  2 21  1  0  0  0  0
  3 21  1  0  0  0  0
  6  4  1  1  0  0  0
  4 10  1  0  0  0  0
  5  9  1  0  0  0  0
  5 33  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 22  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 11  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  2  0  0  0  0
 10 14  1  0  0  0  0
 11 15  1  0  0  0  0
 11 27  1  0  0  0  0
 12 16  2  0  0  0  0
 12 28  1  0  0  0  0
 13 18  1  0  0  0  0
 13 29  1  0  0  0  0
 14 19  2  0  0  0  0
 14 30  1  0  0  0  0
 15 20  2  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  2  0  0  0  0
 17 19  1  0  0  0  0
 17 21  1  0  0  0  0
 18 35  1  0  0  0  0
 19 36  1  0  0  0  0
 20 37  1  0  0  0  0
M  END

$$$$
D02ENI
  -OEChem-10101305022D

 65 66  0     0  0  0  0  0  0999 V2000
    4.6783    5.9339    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7619    5.9952    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783    4.3244    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.2619    3.3971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7619    2.5311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7619   -2.6651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2619   -1.7990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2619    3.3971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2619   -3.5311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7619    2.5311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7619   -0.9330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7619    4.2631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7619   -4.3971    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
   12.2619   -0.0670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7619    4.2631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2619   -5.2631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2619    1.6651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7619    0.7990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7619   -6.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2619    5.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2619    5.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    5.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    4.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    6.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    4.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    5.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    4.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8445    3.6092    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1542    4.0077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1793    2.3190    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8695    1.9205    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.2368   -3.0636    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.2368   -2.2665    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7869   -1.4005    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7869   -2.1976    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6793    3.1851    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3695    2.7865    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7869   -3.1326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7869   -3.9296    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3445    2.7431    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6542    3.1417    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.2368   -1.3315    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.2368   -0.5345    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3445    4.4752    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6542    4.8737    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.2368   -4.7956    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.2368   -3.9986    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6793    1.4530    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3695    1.0545    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7869    0.3315    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7869   -0.4655    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1793    4.0511    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8695    3.6526    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7869   -4.8646    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7869   -5.6617    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.5719    2.2020    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.3819    0.7990    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.2249   -6.4392    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.0719   -6.6661    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.2988   -5.8192    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    6.7492    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    1.4631    5.9392    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    4.3192    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 21  2  0  0  0  0
  3 22  2  0  0  0  0
  3 24  1  0  0  0  0
  4  5  1  0  0  0  0
  4  8  1  0  0  0  0
  4 29  1  0  0  0  0
  4 30  1  0  0  0  0
  5 10  1  0  0  0  0
  5 31  1  0  0  0  0
  5 32  1  0  0  0  0
  6  7  1  0  0  0  0
  6  9  1  0  0  0  0
  6 33  1  0  0  0  0
  6 34  1  0  0  0  0
  7 11  1  0  0  0  0
  7 35  1  0  0  0  0
  7 36  1  0  0  0  0
  8 12  1  0  0  0  0
  8 37  1  0  0  0  0
  8 38  1  0  0  0  0
  9 13  1  0  0  0  0
  9 39  1  0  0  0  0
  9 40  1  0  0  0  0
 10 14  1  0  0  0  0
 10 41  1  0  0  0  0
 10 42  1  0  0  0  0
 11 15  1  0  0  0  0
 11 43  1  0  0  0  0
 11 44  1  0  0  0  0
 12 16  1  0  0  0  0
 12 45  1  0  0  0  0
 12 46  1  0  0  0  0
 13 17  1  0  0  0  0
 13 47  1  0  0  0  0
 13 48  1  0  0  0  0
 14 18  1  0  0  0  0
 14 49  1  0  0  0  0
 14 50  1  0  0  0  0
 15 19  1  0  0  0  0
 15 51  1  0  0  0  0
 15 52  1  0  0  0  0
 16 21  1  0  0  0  0
 16 53  1  0  0  0  0
 16 54  1  0  0  0  0
 17 20  1  0  0  0  0
 17 55  1  0  0  0  0
 17 56  1  0  0  0  0
 18 19  2  0  0  0  0
 18 57  1  0  0  0  0
 19 58  1  0  0  0  0
 20 59  1  0  0  0  0
 20 60  1  0  0  0  0
 20 61  1  0  0  0  0
 21 22  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 62  1  0  0  0  0
 26 28  1  0  0  0  0
 26 63  1  0  0  0  0
 27 28  2  0  0  0  0
 27 64  1  0  0  0  0
 28 65  1  0  0  0  0
M  END

$$$$
D02EOF
  -OEChem-10101305022D

 20 20  0     1  0  0  0  0  0999 V2000
    4.0823   -1.0101    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8424   -0.7313    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5823    0.5288    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.5823    0.5288    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2733   -0.4223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9945    1.3378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8913   -0.4223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.2332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7428    0.3958    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1888    0.6577    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5175    1.1454    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7069   -0.1701    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9633   -0.9592    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5518    1.6096    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8236    1.9338    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9352    1.8498    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3834    1.1684    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0648    0.6166    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9713   -1.3378    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3031   -0.3165    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1  7  2  0  0  0  0
  2  7  1  0  0  0  0
  2 19  1  0  0  0  0
  2 20  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3  6  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
  4 11  1  0  0  0  0
  5 12  1  0  0  0  0
  5 13  1  0  0  0  0
  6  8  1  0  0  0  0
  6 14  1  0  0  0  0
  6 15  1  0  0  0  0
  8 16  1  0  0  0  0
  8 17  1  0  0  0  0
  8 18  1  0  0  0  0
M  END

$$$$
D02EPD
  -OEChem-10191522052D

 81 82  0     0  0  0  0  0  0999 V2000
    6.3301   -3.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942   -3.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    5.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    2.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    2.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -3.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282   -2.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    3.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    3.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    9.7942   -1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    4.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    4.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282   -5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282   -3.2500    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
    2.8660    5.2500    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    4.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.0622   -1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282   -6.2500    0.0000 C   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
    3.7320    2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5263   -1.7500    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
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    2.0000    5.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942   -6.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3923   -2.2500    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
    7.1962    6.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.3301   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.1928   -1.2750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3957   -1.2750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5422    3.6674    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9407    4.3577    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2554    4.3577    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6540    3.6674    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5388   -5.3577    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   10.2617   -2.7250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0588   -2.7250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4766    5.1423    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   11.9248   -1.2750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1278   -1.2750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    1.3894    5.8577    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   10.3312   -7.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   12.0823   -2.7869    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.9292   -2.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.7023   -1.7131    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0611    0.9400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8162    6.7500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    7.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5762    6.7500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6200    6.7500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    7.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3800    6.7500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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 13 18  1  0  0  0  0
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 15 24  1  0  0  0  0
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 20 22  2  0  0  0  0
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 27 33  1  0  0  0  0
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 29 35  1  0  0  0  0
 29 60  1  0  0  0  0
 29 61  1  0  0  0  0
 30 36  1  0  0  0  0
 30 62  1  0  0  0  0
 30 63  1  0  0  0  0
 31 37  2  3  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 68  1  0  0  0  0
 33 69  1  0  0  0  0
 33 70  1  0  0  0  0
 34 38  1  0  0  0  0
 34 71  1  0  0  0  0
 35 72  1  0  0  0  0
 35 73  1  0  0  0  0
 35 74  1  0  0  0  0
 36 75  1  0  0  0  0
 36 76  1  0  0  0  0
 36 77  1  0  0  0  0
 37 39  1  0  0  0  0
 37 79  1  0  0  0  0
 38 39  2  3  0  0  0
 38 80  1  0  0  0  0
 39 81  1  0  0  0  0
M  END

$$$$
D02EPZ
  -OEChem-10101305022D

 30 31  0     0  0  0  0  0  0999 V2000
    4.7026    2.0398    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5116    0.6386    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7320   -0.4547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.0453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6808    2.2477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1808    1.3817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.9547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.9547    0.0000 C   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
    4.5981   -1.9547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.4547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7320   -2.4547    0.0000 C   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
    6.2472    2.4999    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4892    2.8374    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5956    0.9210    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6823    1.7461    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2418    2.4547    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -2.2647    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -2.2647    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100    0.0822    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7320   -3.0747    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1  6  1  0  0  0  0
  1 21  1  0  0  0  0
  2  5  2  0  0  0  0
  2  7  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3 15  1  0  0  0  0
  3 16  1  0  0  0  0
  4  8  2  0  0  0  0
  4  9  1  0  0  0  0
  6  7  1  0  0  0  0
  6 17  1  0  0  0  0
  6 18  1  0  0  0  0
  7 19  1  0  0  0  0
  7 20  1  0  0  0  0
  8 10  1  0  0  0  0
  8 12  1  0  0  0  0
  9 11  2  0  0  0  0
  9 13  1  0  0  0  0
 10 14  2  0  0  0  0
 10 22  1  0  0  0  0
 11 14  1  0  0  0  0
 11 23  1  0  0  0  0
 12 24  1  0  0  0  0
 12 25  1  0  0  0  0
 12 26  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
M  END

$$$$
D02EQL
  -OEChem-10191521572D

 58 61  0     1  0  0  0  0  0999 V2000
    7.8388    0.2271    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
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    7.8388    1.2271    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8389   -1.5050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8389   -1.5050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3389   -2.3710    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7511    1.9021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7021    2.2111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1633    2.7111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7021    3.2111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7511    3.5202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000    1.5931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3388    1.0931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000    0.5931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.3389   -0.6390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8389   -1.5050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 29  5  1  6  0  0  0
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 10 12  1  0  0  0  0
 10 33  1  0  0  0  0
 10 34  1  0  0  0  0
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 11 39  1  0  0  0  0
 11 40  1  0  0  0  0
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 13 15  1  0  0  0  0
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 14 18  1  0  0  0  0
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 16 20  1  0  0  0  0
 17 21  1  0  0  0  0
 17 41  1  0  0  0  0
 18 23  2  0  0  0  0
 18 42  1  0  0  0  0
 19 22  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 22  2  0  0  0  0
 21 44  1  0  0  0  0
 22 45  1  0  0  0  0
 23 46  1  0  0  0  0
 24 27  1  0  0  0  0
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 25 28  2  0  0  0  0
 25 48  1  0  0  0  0
 26 29  1  0  0  0  0
 26 49  1  0  0  0  0
 26 50  1  0  0  0  0
 27 30  2  0  0  0  0
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 28 30  1  0  0  0  0
 28 52  1  0  0  0  0
 29 31  1  0  0  0  0
 29 53  1  0  0  0  0
 31 32  1  0  0  0  0
 31 55  1  0  0  0  0
 31 56  1  0  0  0  0
M  END

$$$$
D02ESW
  -OEChem-04152122262D

 24 25  0     0  0  0  0  0  0999 V2000
    4.5981   -2.8100    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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    2.0000   -2.3100    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0000    1.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.6900    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
    2.0000   -1.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8660   -2.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1 12  1  0  0  0  0
  2  6  1  0  0  0  0
  2  7  1  0  0  0  0
  2 10  1  0  0  0  0
  3  8  1  0  0  0  0
  3  9  1  0  0  0  0
  3 22  1  0  0  0  0
  4 10  1  0  0  0  0
  4 12  2  0  0  0  0
  5 11  1  0  0  0  0
  5 13  2  0  0  0  0
  6  8  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 16  1  0  0  0  0
  7 17  1  0  0  0  0
  8 18  1  0  0  0  0
  8 19  1  0  0  0  0
  9 20  1  0  0  0  0
  9 21  1  0  0  0  0
 10 11  2  0  0  0  0
 11 23  1  0  0  0  0
 12 13  1  0  0  0  0
 13 24  1  0  0  0  0
M  END

$$$$
D02ETA
  -OEChem-04152109102D

 62 63  0     0  0  0  0  0  0999 V2000
    6.9340    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.3700    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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 29 57  1  0  0  0  0
 30 58  1  0  0  0  0
 31 59  1  0  0  0  0
 32 60  1  0  0  0  0
M  END

$$$$
D02EWM
  -OEChem-04152109232D

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 29 30  2  0  0  0  0
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 30 51  1  0  0  0  0
M  END

$$$$
D02EWR
  -OEChem-10191522182D

 86 91  0     1  0  0  0  0  0999 V2000
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M  END

$$$$
D02EXX
  -OEChem-04152110072D

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 51109  1  0  0  0  0
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 52110  1  0  0  0  0
 53 54  2  0  0  0  0
 53111  1  0  0  0  0
 54112  1  0  0  0  0
M  END

$$$$
D02EZF
  -OEChem-10191522422D

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 30 35  1  0  0  0  0
 30 66  1  0  0  0  0
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 38 40  2  0  0  0  0
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 40 79  1  0  0  0  0
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 42 82  1  0  0  0  0
 42 83  1  0  0  0  0
 43 84  1  0  0  0  0
 43 85  1  0  0  0  0
M  END

$$$$
D02FCR
  -OEChem-10191521312D

 13 13  0     1  0  0  0  0  0999 V2000
    3.2601    1.1191    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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  1  7  1  0  0  0  0
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  6 10  1  0  0  0  0
  7 11  1  0  0  0  0
  7 12  1  0  0  0  0
M  CHG  1   3  -1
M  END

$$$$
D02FCS
  -OEChem-10101305032D

 52 56  0     1  0  0  0  0  0999 V2000
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 22 25  1  0  0  0  0
 22 44  1  0  0  0  0
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 23 47  1  0  0  0  0
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 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

$$$$
D02FCY
  -OEChem-10191522282D

 37 36  0     1  0  0  0  0  0999 V2000
    4.5981    0.8450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -0.1550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END

$$$$
D02FEF
  -OEChem-10101305022D

 34 35  0     0  0  0  0  0  0999 V2000
    4.5981    3.5950    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.9050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 20 32  1  0  0  0  0
 20 33  1  0  0  0  0
 20 34  1  0  0  0  0
M  END

$$$$
D02FGF
  -OEChem-04152108362D

 48 49  0     1  0  0  0  0  0999 V2000
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 11 28  1  0  0  0  0
 12 15  1  0  0  0  0
 12 29  1  0  0  0  0
 12 30  1  0  0  0  0
 13 14  1  0  0  0  0
 13 22  1  0  0  0  0
 13 31  1  0  0  0  0
 14 16  1  0  0  0  0
 14 32  1  0  0  0  0
 14 33  1  0  0  0  0
 15 19  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 21  2  0  0  0  0
 18 20  1  0  0  0  0
 18 23  2  0  0  0  0
 19 24  1  0  0  0  0
 19 37  1  0  0  0  0
 19 38  1  0  0  0  0
 20 25  2  0  0  0  0
 21 40  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 27  1  0  0  0  0
 25 46  1  0  0  0  0
 26 27  2  0  0  0  0
 26 47  1  0  0  0  0
 27 48  1  0  0  0  0
M  CHG  3   3  -1   5  -1   6  -1
M  END

$$$$
D02FGK
  -OEChem-10191521592D

 51 54  0     0  0  0  0  0  0999 V2000
    2.0000    0.3416    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.2257   -2.2945    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.6225   -2.0733    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.0045   -0.8977    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.4562   -0.7347    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1588    1.7599    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2928    0.2599    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.4890    0.2599    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4781   -0.9426    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.2489    0.2252    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.8909    0.7599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7569    0.2599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0249    0.2599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6229    0.7599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1588    0.7599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4268    0.7599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5608    0.2599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6229    1.7599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9781   -0.0765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9836    0.0280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3550    1.7599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6472    0.6666    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3550    0.7599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4890    2.2599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3958   -0.7810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4013   -0.6765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5768    0.9415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2489    2.2945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9945    0.2370    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5823    1.0461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8135   -1.4855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1550    1.7807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1550    0.7391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2894    1.2348    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4924    1.2348    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.3584   -0.2151    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.1554   -0.2151    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6263   -0.2151    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4234   -0.2151    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8253    1.2348    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0283    1.2348    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2928   -0.3601    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.0860    2.0699    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5183    1.2731    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.4890    2.8799    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6480   -1.3474    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9413    1.4431    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.2418    2.9145    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3301    1.6125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.6907    2.0928    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.6907    0.4270    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 29  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  9  1  0  0  0  0
  5 17  1  0  0  0  0
  6 15  2  0  0  0  0
  7 15  1  0  0  0  0
  7 16  1  0  0  0  0
  7 42  1  0  0  0  0
  8 14  2  0  0  0  0
  8 23  1  0  0  0  0
  9 19  2  0  0  0  0
 10 23  1  0  0  0  0
 10 33  2  0  0  0  0
 11 12  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 14  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 18  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 22  2  0  0  0  0
 18 24  2  0  0  0  0
 18 43  1  0  0  0  0
 19 20  1  0  0  0  0
 19 22  1  0  0  0  0
 20 25  2  0  0  0  0
 20 27  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 44  1  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
 26 29  2  0  0  0  0
 26 31  1  0  0  0  0
 27 30  2  0  0  0  0
 27 47  1  0  0  0  0
 28 32  2  0  0  0  0
 28 48  1  0  0  0  0
 29 30  1  0  0  0  0
 30 49  1  0  0  0  0
 32 33  1  0  0  0  0
 32 50  1  0  0  0  0
 33 51  1  0  0  0  0
M  END

$$$$
D02FGY
  -OEChem-10101305022D

 26 27  0     0  0  0  0  0  0999 V2000
    2.0000   -1.8184    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.4632    3.2520    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0455    2.5475    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.8184    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2320    0.7204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9230   -0.2306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.8184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5411   -0.2306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2320    0.7204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6443    1.5294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.3184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.3184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.3184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -3.3184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0510    2.4430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.8184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3334   -0.4222    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1307   -0.4222    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5965    1.2220    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1303    1.8762    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2136    1.0835    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -2.0084    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -3.6284    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -3.6284    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -4.4384    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7154    3.8184    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  0  0  0  0
  2 15  1  0  0  0  0
  2 26  1  0  0  0  0
  3 15  2  0  0  0  0
  4  6  1  0  0  0  0
  4  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  6  2  0  0  0  0
  5  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 17  1  0  0  0  0
  7 11  1  0  0  0  0
  7 12  2  0  0  0  0
  8  9  2  0  0  0  0
  8 18  1  0  0  0  0
  9 19  1  0  0  0  0
 10 15  1  0  0  0  0
 10 20  1  0  0  0  0
 10 21  1  0  0  0  0
 11 13  2  0  0  0  0
 12 14  1  0  0  0  0
 12 22  1  0  0  0  0
 13 16  1  0  0  0  0
 13 23  1  0  0  0  0
 14 16  2  0  0  0  0
 14 24  1  0  0  0  0
 16 25  1  0  0  0  0
M  END

$$$$
D02FHX
  -OEChem-10101305022D

 18 18  0     1  0  0  0  0  0999 V2000
    5.0032    0.9333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5032   -0.6056    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2633   -0.3268    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6942   -0.0178    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.7431   -0.3268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0032    0.9333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.3423    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3122   -0.0178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5972   -0.6302    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2546   -0.7085    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0342   -0.8742    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0680    1.5499    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3968    1.0622    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4149    0.8031    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5392    0.7572    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5851   -0.1184    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7240    0.0880    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3922   -0.9333    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  8  1  0  0  0  0
  2  4  1  0  0  0  0
  2  8  2  0  0  0  0
  3  8  1  0  0  0  0
  3 17  1  0  0  0  0
  3 18  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4  9  1  0  0  0  0
  5  7  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
  6 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
M  END

$$$$
D02FJX
  -OEChem-10101305032D

 41 43  0     0  0  0  0  0  0999 V2000
   11.1279    1.7320    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   11.4939    0.3660    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    9.7619    1.3660    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.1279    0.0000    0.0000 O   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
    2.0000   -1.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5443    0.8047    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5443   -0.8047    0.0000 N   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
    4.5981   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1279    0.0000    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
    2.8660   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8550    1.7552    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
    7.6279   -0.8660    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
    8.6279   -0.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1279    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1279    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1279   -1.7320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6279   -0.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1279   -1.7320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6279    0.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4443    1.5626    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0476    2.3446    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2656    1.9479    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1120   -2.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3520   -2.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0453   -1.0781    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7356   -1.4766    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100    1.5369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    1.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900    0.4631    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8179    0.5369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8179   -2.2690    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2479   -0.8660    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4379   -2.2690    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 26  1  0  0  0  0
  2 26  1  0  0  0  0
  3 26  1  0  0  0  0
  4 13  1  0  0  0  0
  4 18  1  0  0  0  0
  5 14  2  0  0  0  0
  6 15  2  0  0  0  0
  7 11  1  0  0  0  0
  7 13  1  0  0  0  0
  7 16  1  0  0  0  0
  8 12  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 15  1  0  0  0  0
  9 19  1  0  0  0  0
 10 12  1  0  0  0  0
 10 13  2  0  0  0  0
 11 12  2  0  0  0  0
 11 14  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
 18 20  1  0  0  0  0
 18 33  1  0  0  0  0
 18 34  1  0  0  0  0
 19 35  1  0  0  0  0
 19 36  1  0  0  0  0
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 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

$$$$
D02FLH
  -OEChem-10101305022D

 43 46  0     0  0  0  0  0  0999 V2000
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 23 24  1  0  0  0  0
 23 42  1  0  0  0  0
 24 43  1  0  0  0  0
M  END

$$$$
D02FMN
  -OEChem-10191522402D

 65 65  0     1  0  0  0  0  0999 V2000
    5.4641   -0.6550    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
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 21 22  1  0  0  0  0
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 33 34  1  0  0  0  0
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 34 62  1  0  0  0  0
M  END

$$$$
D02FMR
  -OEChem-10101305032D

 28 30  0     0  0  0  0  0  0999 V2000
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 10 12  2  0  0  0  0
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 18 19  1  0  0  0  0
 18 27  1  0  0  0  0
 19 28  1  0  0  0  0
M  END

$$$$
D02FNJ
          04211000402D 1   1.00000     0.00000     0

 67 67  0     1  0            999 V2000
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 26 27  1  0     0  0
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 39 26  1  0     0  0
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 30 31  1  0     0  0
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 32 33  1  0     0  0
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 33 34  1  0     0  0
  9 67  1  1     0  0
M  END

$$$$
D02FPU
  -OEChem-10101305032D

 30 30  0     1  0  0  0  0  0999 V2000
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 16 17  1  0  0  0  0
 16 29  1  0  0  0  0
 17 30  1  0  0  0  0
M  END

$$$$
D02FQG
  -OEChem-10191522372D

 66 69  0     1  0  0  0  0  0999 V2000
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 15 21  1  0  0  0  0
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 16 22  2  0  0  0  0
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 17 19  1  0  0  0  0
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 18 20  1  0  0  0  0
 18 46  1  0  0  0  0
 18 47  1  0  0  0  0
 19 50  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
 22 24  1  0  0  0  0
 22 54  1  0  0  0  0
 23 25  2  0  0  0  0
 23 55  1  0  0  0  0
 24 26  2  0  0  0  0
 24 57  1  0  0  0  0
 25 26  1  0  0  0  0
 25 58  1  0  0  0  0
 27 28  2  0  0  0  0
 27 29  1  0  0  0  0
 28 31  1  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 62  1  0  0  0  0
 30 63  1  0  0  0  0
 30 64  1  0  0  0  0
 31 33  2  0  0  0  0
 32 33  1  0  0  0  0
 32 65  1  0  0  0  0
 33 66  1  0  0  0  0
M  END

$$$$
D02FRA
  -OEChem-10101305022D

 33 34  0     1  0  0  0  0  0999 V2000
    2.1340    1.5000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.8660   -2.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    1.0000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.0000   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8660    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1340   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8660   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7320    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8660    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1340   -2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5981    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7320    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5981    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    1.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    1.3800    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.6200    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0000    0.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5970   -1.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4030   -1.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7320    0.3800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3291    2.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5970   -2.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1350    1.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7320    3.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -3.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1350    2.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  2 10  1  0  0  0  0
  2 16  2  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  4 18  1  0  0  0  0
  5  9  1  0  0  0  0
  5 10  2  0  0  0  0
  6 21  1  0  0  0  0
  6 22  1  0  0  0  0
  6 23  1  0  0  0  0
  7 19  1  0  0  0  0
  7 20  1  0  0  0  0
  7 24  1  0  0  0  0
  8 11  2  0  0  0  0
  8 12  1  0  0  0  0
  9 13  2  0  0  0  0
  9 25  1  0  0  0  0
 10 26  1  0  0  0  0
 11 14  1  0  0  0  0
 11 27  1  0  0  0  0
 12 15  2  0  0  0  0
 12 28  1  0  0  0  0
 13 16  1  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 17  1  0  0  0  0
 15 31  1  0  0  0  0
 16 32  1  0  0  0  0
 17 33  1  0  0  0  0
M  END

$$$$
D02FTR
  -OEChem-10191521322D

 49 49  0     1  0  0  0  0  0999 V2000
    3.5823    1.4604    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1810    0.4424    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2313   -2.5004    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7666   -0.8531    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2634   -1.8010    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4013    3.1830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9945    2.2694    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.8080    4.0965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4877    3.5897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3148    2.7762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.1649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7634   -0.2621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1756    0.5469    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7634   -0.2621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4543   -1.2132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0724   -1.2132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3511    0.5469    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5033   -1.5222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0234   -1.5222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1824   -2.8094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3903   -3.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3414   -4.0965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8399    2.3583    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0626    2.2099    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8812    2.5241    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5670    3.3426    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7399    4.1561    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9213    3.8419    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2355    3.0233    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.0602    4.6629    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2416    4.3487    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    1.3834    2.1001    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0648    1.5483    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2634   -2.4210    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8527    0.1825    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7156    1.0485    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    8.5330   -3.5069    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1 13  1  0  0  0  0
  2 13  2  0  0  0  0
  3 19  1  0  0  0  0
  3 20  1  0  0  0  0
  4 19  2  0  0  0  0
  5 15  1  0  0  0  0
  5 16  1  0  0  0  0
  5 36  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 23  1  0  0  0  0
  8 30  1  0  0  0  0
  8 31  1  0  0  0  0
  8 32  1  0  0  0  0
  9 27  1  0  0  0  0
  9 28  1  0  0  0  0
  9 29  1  0  0  0  0
 10 24  1  0  0  0  0
 10 25  1  0  0  0  0
 10 26  1  0  0  0  0
 11 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 14  1  0  0  0  0
 12 15  2  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
 16 19  1  0  0  0  0
 17 37  1  0  0  0  0
 17 38  1  0  0  0  0
 17 39  1  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 21  1  0  0  0  0
 20 43  1  0  0  0  0
 20 44  1  0  0  0  0
 21 22  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
M  END

$$$$
D02FUG
  -OEChem-10191522402D

 22 22  0     1  0  0  0  0  0999 V2000
    2.8660   -3.3100    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.6900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.6900    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
    3.7320    1.1900    0.0000 C   0  0  3  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    0.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.8100    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
    3.7320    2.1900    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
    3.7320   -1.8100    0.0000 C   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
    2.9959    1.6150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    5.1350    0.3800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9081    1.2269    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -0.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1 13  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3 10  1  0  0  0  0
  3 22  1  0  0  0  0
  4 10  2  0  0  0  0
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  5 10  1  0  0  0  0
  5 14  1  0  0  0  0
  6  8  2  0  0  0  0
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  7 15  1  0  0  0  0
  7 16  1  0  0  0  0
  7 17  1  0  0  0  0
  8 11  1  0  0  0  0
  8 18  1  0  0  0  0
  9 12  2  0  0  0  0
  9 19  1  0  0  0  0
 11 13  2  0  0  0  0
 11 20  1  0  0  0  0
 12 13  1  0  0  0  0
 12 21  1  0  0  0  0
M  END

$$$$
D02FVV
  -OEChem-10101305022D

 37 41  0     1  0  0  0  0  0999 V2000
    7.0761   -1.5957    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7140   -3.8866    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3242    0.6827    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.7491    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5986    3.8268    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    5.5921   -1.3173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7261    0.1827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8081   -2.3657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8601   -0.3173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6082   -2.3588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2 15  2  0  0  0  0
  3 16  2  0  0  0  0
  4 22  2  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
  6 11  1  6  0  0  0
  7 10  1  0  0  0  0
  7 26  1  0  0  0  0
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  8 12  1  0  0  0  0
  8 13  2  0  0  0  0
  9 14  2  0  0  0  0
  9 17  1  0  0  0  0
 10 15  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
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 11 32  1  0  0  0  0
 12 15  1  0  0  0  0
 12 18  2  0  0  0  0
 13 16  1  0  0  0  0
 14 16  1  0  0  0  0
 14 19  1  0  0  0  0
 17 20  2  0  0  0  0
 17 33  1  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 22  1  0  0  0  0
 21 23  1  0  0  0  0
 22 24  1  0  0  0  0
 23 25  1  0  0  0  0
 24 25  2  0  0  0  0
 24 36  1  0  0  0  0
 25 37  1  0  0  0  0
M  END

$$$$
D02FXS
  -OEChem-10101305032D

 27 28  0     0  0  0  0  0  0999 V2000
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  1 12  2  0  0  0  0
  2 16  1  0  0  0  0
  2 27  1  0  0  0  0
  3 16  2  0  0  0  0
  4  6  1  0  0  0  0
  4 14  1  0  0  0  0
  4 22  1  0  0  0  0
  5  6  2  0  0  0  0
  5  8  1  0  0  0  0
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  6 10  1  0  0  0  0
  7  8  2  0  0  0  0
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  7 11  1  0  0  0  0
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 10 11  2  0  0  0  0
 10 20  1  0  0  0  0
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 14 23  1  0  0  0  0
 15 24  1  0  0  0  0
 15 25  1  0  0  0  0
 15 26  1  0  0  0  0
M  END

$$$$
D02FXZ
  -OEChem-10101305022D

168176  0     1  0  0  0  0  0999 V2000
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 81151  1  0  0  0  0
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 83 85  2  0  0  0  0
 83152  1  0  0  0  0
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 87 93  2  0  0  0  0
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 90158  1  0  0  0  0
 91 92  1  0  0  0  0
 91159  1  0  0  0  0
M  END

$$$$
D02FYN
  -OEChem-10101305032D

 28 29  0     0  0  0  0  0  0999 V2000
    3.6750    2.8644    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.6180   -3.2234    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6750    2.8644    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6750    2.8644    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6750   -0.1356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8090    1.3644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5411    1.3644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  3  2  0  0  0  0
  1  4  2  0  0  0  0
  1  5  1  0  0  0  0
  1  6  1  0  0  0  0
  2 14  1  0  0  0  0
  2 17  1  0  0  0  0
  5 24  1  0  0  0  0
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  6  8  2  0  0  0  0
  6  9  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 18  1  0  0  0  0
  9 11  2  0  0  0  0
  9 19  1  0  0  0  0
 10 20  1  0  0  0  0
 11 21  1  0  0  0  0
 12 13  2  0  0  0  0
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 14 15  2  0  0  0  0
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 15 26  1  0  0  0  0
 16 17  2  0  0  0  0
 16 27  1  0  0  0  0
 17 28  1  0  0  0  0
M  END

$$$$
D02FZD
  -OEChem-10101305022D

 41 43  0     1  0  0  0  0  0999 V2000
    4.4487   -1.9239    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0000   -1.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1808    1.0761    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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  1  5  1  0  0  0  0
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  8 28  1  0  0  0  0
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 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
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 10 30  1  0  0  0  0
 11 31  1  0  0  0  0
 11 32  1  0  0  0  0
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 13 15  2  0  0  0  0
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 15 35  1  0  0  0  0
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 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
M  END

$$$$
D02FZM
  -OEChem-10191522222D

 53 54  0     1  0  0  0  0  0999 V2000
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    2.8660   -6.5283    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
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    8.7788    4.3081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.3301    3.4717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.5981   -0.5283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.0283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.5283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -4.0283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -4.0283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -5.0283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -5.0283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -5.5283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7219    4.7440    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1 16  2  0  0  0  0
  2 19  1  0  0  0  0
  2 48  1  0  0  0  0
  3 19  2  0  0  0  0
  4 23  1  0  0  0  0
  4 24  1  0  0  0  0
  5 23  2  0  0  0  0
  6 11  1  0  0  0  0
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  8 15  1  0  0  0  0
  8 16  1  0  0  0  0
  9 17  1  0  0  0  0
  9 44  1  0  0  0  0
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 10 22  1  0  0  0  0
 10 23  1  0  0  0  0
 10 49  1  0  0  0  0
 11 29  1  0  0  0  0
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 12 30  1  0  0  0  0
 13 14  1  0  0  0  0
 13 31  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 35  1  0  0  0  0
 15 36  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  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
 18 39  1  0  0  0  0
 20 21  1  0  0  0  0
 20 40  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
 21 43  1  0  0  0  0
 22 46  1  0  0  0  0
 22 47  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 50  1  0  0  0  0
 26 28  2  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 29  1  0  0  0  0
 28 53  1  0  0  0  0
M  CHG  2   6  -1  11   1
M  END

$$$$
D02FZQ
  -OEChem-10101305022D

 37 39  0     0  0  0  0  0  0999 V2000
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    2.8660   -4.5942    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
  2 18  1  0  0  0  0
  2 20  1  0  0  0  0
  3 19  1  0  0  0  0
  3 21  1  0  0  0  0
  4  7  1  0  0  0  0
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  8  9  1  0  0  0  0
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 10 14  1  0  0  0  0
 10 24  1  0  0  0  0
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 17 31  1  0  0  0  0
 20 32  1  0  0  0  0
 20 33  1  0  0  0  0
 20 34  1  0  0  0  0
 21 35  1  0  0  0  0
 21 36  1  0  0  0  0
 21 37  1  0  0  0  0
M  END

$$$$
D02FZW
  -OEChem-04152110332D

 61 66  0     1  0  0  0  0  0999 V2000
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 11 36  1  0  0  0  0
 11 37  1  0  0  0  0
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 20 48  1  0  0  0  0
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 21 24  2  0  0  0  0
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 22 24  1  0  0  0  0
 23 25  1  0  0  0  0
 24 51  1  0  0  0  0
 25 26  2  0  0  0  0
 25 52  1  0  0  0  0
 26 27  1  0  0  0  0
 26 54  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
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 29 31  2  0  0  0  0
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 30 32  2  0  0  0  0
 30 57  1  0  0  0  0
 31 32  1  0  0  0  0
 31 58  1  0  0  0  0
 32 33  1  0  0  0  0
 33 59  1  0  0  0  0
 33 60  1  0  0  0  0
 33 61  1  0  0  0  0
M  END

$$$$
D02GDG
  -OEChem-10101305032D

 61 65  0     0  0  0  0  0  0999 V2000
    9.7360   -0.9101    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.5549   -2.6327    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9960    0.3500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.3051    1.3010    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.2360    0.6287    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.8051   -0.2378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3051    1.3010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6141    0.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8051   -1.2378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0450    0.0409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8928    2.1100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4270    0.0409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7360   -0.9101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9390   -1.7378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6711   -1.7378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8874    2.0055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4861    3.0236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9390   -2.7378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6711   -2.7378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4759    0.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1482   -1.7191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8051   -3.2378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4751    2.8145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0739    3.8326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0684    3.7281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1537   -1.6146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5714   -2.3191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5659   -2.4236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9836   -3.1281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9890   -3.0236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1646   -1.4055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5823   -2.1100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4013   -3.8326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5878   -2.0055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4067   -3.7281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.8145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2037    0.1584    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4021   -1.4278    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.2080   -1.4278    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.1395    1.4391    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8695    3.0884    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4021   -3.0478    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.2080   -3.0478    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6675    0.9396    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8862    0.5416    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2843   -0.2397    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8051   -3.8578    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.0918    2.7497    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.8217    4.3990    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.4328    4.2297    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9015   -1.0482    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8180   -2.9900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2357   -3.6945    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7310   -1.1534    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9124   -0.8391    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5982   -1.6577    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9467   -1.6084    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6534   -4.3990    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3356   -1.4391    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0423   -4.2297    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3834   -2.7497    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
  1 13  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 10  1  0  0  0  0
  4  7  2  0  0  0  0
  5 10  2  0  0  0  0
  5 12  1  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
  7 11  1  0  0  0  0
  8 37  1  0  0  0  0
  9 14  2  0  0  0  0
  9 15  1  0  0  0  0
 11 16  2  0  0  0  0
 11 17  1  0  0  0  0
 12 13  2  0  0  0  0
 12 20  1  0  0  0  0
 13 21  1  0  0  0  0
 14 18  1  0  0  0  0
 14 38  1  0  0  0  0
 15 19  2  0  0  0  0
 15 39  1  0  0  0  0
 16 23  1  0  0  0  0
 16 40  1  0  0  0  0
 17 24  2  0  0  0  0
 17 41  1  0  0  0  0
 18 22  2  0  0  0  0
 18 42  1  0  0  0  0
 19 22  1  0  0  0  0
 19 43  1  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 26  1  0  0  0  0
 22 47  1  0  0  0  0
 23 25  2  0  0  0  0
 23 48  1  0  0  0  0
 24 25  1  0  0  0  0
 24 49  1  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 29  2  0  0  0  0
 27 31  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
 30 32  2  0  0  0  0
 30 33  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 34  1  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 36  2  0  0  0  0
 34 59  1  0  0  0  0
 35 36  1  0  0  0  0
 35 60  1  0  0  0  0
 36 61  1  0  0  0  0
M  END

$$$$
D02GEQ
  -OEChem-10191522222D

 31 30  0     1  0  0  0  0  0999 V2000
    6.0010   -0.4050    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
    6.8671    0.0950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991    1.0950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3312    0.0950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -0.9050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5010    0.4610    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    6.5010   -1.2710    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1972   -1.4050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -0.4050    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991    0.0950    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.7331   -0.4050    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
    4.2690   -0.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -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
   12.0632    0.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    0.4050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3346   -0.8799    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1316   -0.8799    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0666   -0.8799    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8637   -0.8799    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6675    0.0699    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8705    0.0699    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0044   -1.3800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8015   -1.3800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1360    1.4050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.7150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    0.2150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.3732   -0.4419    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.6002    0.4050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7532    0.6319    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 11  1  0  0  0  0
 10  3  1  6  0  0  0
  3 26  1  0  0  0  0
  4 12  1  0  0  0  0
  4 15  1  0  0  0  0
  5 13  1  0  0  0  0
  8 15  2  0  0  0  0
  9 14  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 12  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
 12 20  1  0  0  0  0
 12 21  1  0  0  0  0
 13 14  1  0  0  0  0
 13 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
 15 16  1  0  0  0  0
 16 29  1  0  0  0  0
 16 30  1  0  0  0  0
 16 31  1  0  0  0  0
M  CHG  1   6  -1
M  END

$$$$
D02GEW
  -OEChem-10101305022D

181183  0     1  0  0  0  0  0999 V2000
    4.4026  -11.1440    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7485  -12.2358    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7523  -10.0602    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7066   -9.1748    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4217   -3.7713    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5218   -0.7069    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5108    1.3095    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6109    4.3738    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6000    6.3902    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7001    9.4546    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4039   12.6321    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4374   15.0677    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8660  -12.7093    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    9.3483    9.9869    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.1925    4.2774    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2923    3.0995    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.1034   -0.8033    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3814    8.1802    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.2594    9.1485    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.8407    4.8098    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.4777    3.1162    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0072    4.2607    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   11.7516   -0.2709    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.3885   -1.9645    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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M  END

$$$$
D02GFK
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    5.4641   -0.8873    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.0611    1.5427    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2169    2.3873    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2169   -0.9220    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    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
    1.4631   -1.5773    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291    1.5427    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    1.5427    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5542    0.7220    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4003    0.9522    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1701    1.7983    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  1  0  0  0  0
  1 19  1  0  0  0  0
  2 15  1  0  0  0  0
  2 29  1  0  0  0  0
  2 30  1  0  0  0  0
  3 16  2  0  0  0  0
  3 18  1  0  0  0  0
  4  5  2  0  0  0  0
  4  7  1  0  0  0  0
  4 12  1  0  0  0  0
  5  9  1  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
  6 10  1  0  0  0  0
  7 20  1  0  0  0  0
  8 15  2  0  0  0  0
  8 16  1  0  0  0  0
  9 10  2  0  0  0  0
  9 21  1  0  0  0  0
 10 22  1  0  0  0  0
 11 13  2  0  0  0  0
 11 23  1  0  0  0  0
 12 14  2  0  0  0  0
 12 24  1  0  0  0  0
 13 14  1  0  0  0  0
 14 25  1  0  0  0  0
 15 17  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
 19 31  1  0  0  0  0
 19 32  1  0  0  0  0
 19 33  1  0  0  0  0
M  END

$$$$
D02GJG
  -OEChem-10101305022D

 26 27  0     0  0  0  0  0  0999 V2000
    6.3301    1.2500    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.2500    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.2500    0.0000 O   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
    4.5981    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.2500    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
    2.8660   -1.7500    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
    4.5981   -1.7500    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
    2.8660   -2.7500    0.0000 C   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
    3.7320    2.7500    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
    3.7320   -3.2500    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
    5.1350   -1.4400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951    1.4400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -3.0600    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
    5.1350   -3.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951    3.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    3.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
  2  9  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  2  0  0  0  0
  5  7  1  0  0  0  0
  5  9  1  0  0  0  0
  5 11  2  0  0  0  0
  6  8  1  0  0  0  0
  6 10  1  0  0  0  0
  6 12  2  0  0  0  0
  7  8  1  0  0  0  0
  9 13  2  0  0  0  0
 10 14  2  0  0  0  0
 11 16  1  0  0  0  0
 11 19  1  0  0  0  0
 12 15  1  0  0  0  0
 12 20  1  0  0  0  0
 13 17  1  0  0  0  0
 13 21  1  0  0  0  0
 14 18  1  0  0  0  0
 14 22  1  0  0  0  0
 15 18  2  0  0  0  0
 15 24  1  0  0  0  0
 16 17  2  0  0  0  0
 16 23  1  0  0  0  0
 17 25  1  0  0  0  0
 18 26  1  0  0  0  0
M  END

$$$$
D02GJI
  -OEChem-10101305022D

 25 26  0     0  0  0  0  0  0999 V2000
    3.7891    2.5684    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.5194    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.9806    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.9806    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4071    2.5684    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0981    3.5194    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.5194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.0194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.0194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.0194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.4806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.5194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.0194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.9806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.5194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0981    3.5194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -0.7094    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -0.7094    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.1394    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -2.3294    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    0.6706    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3800   -3.5194    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -4.1394    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6200   -3.5194    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7336    4.0210    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  9  1  0  0  0  0
  2 15  1  0  0  0  0
  3 11  2  0  0  0  0
  4 11  1  0  0  0  0
  4 14  1  0  0  0  0
  4 21  1  0  0  0  0
  5  6  1  0  0  0  0
  5 14  2  0  0  0  0
  6 16  2  0  0  0  0
  7  8  2  0  0  0  0
  7 10  1  0  0  0  0
  7 11  1  0  0  0  0
  8  9  1  0  0  0  0
  8 17  1  0  0  0  0
  9 12  2  0  0  0  0
 10 13  2  0  0  0  0
 10 18  1  0  0  0  0
 12 13  1  0  0  0  0
 12 19  1  0  0  0  0
 13 20  1  0  0  0  0
 15 22  1  0  0  0  0
 15 23  1  0  0  0  0
 15 24  1  0  0  0  0
 16 25  1  0  0  0  0
M  END

$$$$
D02GLM
  -OEChem-10101305032D

 53 53  0     0  0  0  0  0  0999 V2000
    8.0622   -2.0000    0.0000 N   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
    5.4641   -0.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -2.0000    0.0000 N   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
    7.1962    1.5000    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
    6.3301    0.0000    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
    2.8660   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    3.0000    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
    7.1962   -1.5000    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   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942   -3.0000    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
    6.6592    2.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4082    0.9174    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8067    1.6077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1181    1.5826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7196    0.8923    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
    2.8660   -1.3800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3267   -1.0250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5297   -1.0250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6401    3.5369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3722    2.4631    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991    3.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7522    3.5369    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
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    4.1306   -1.0250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3335   -1.0250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331   -0.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -2.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9703   -2.0369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1972   -1.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3503   -0.9631    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1742   -3.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942   -3.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4142   -3.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    3.4860   -3.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  0  0  0  0
  1 15  1  0  0  0  0
  1 40  1  0  0  0  0
  2 14  1  0  0  0  0
  2 17  1  0  0  0  0
  2 41  1  0  0  0  0
  3  8  1  0  0  0  0
  3 17  2  0  0  0  0
  4 15  2  0  0  0  0
  4 17  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
  5 22  1  0  0  0  0
  6  7  1  0  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 25  1  0  0  0  0
  7 26  1  0  0  0  0
  8 16  2  0  0  0  0
  9 11  1  0  0  0  0
  9 18  1  0  0  0  0
  9 19  1  0  0  0  0
  9 27  1  0  0  0  0
 10 14  1  0  0  0  0
 10 20  1  0  0  0  0
 10 21  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 32  1  0  0  0  0
 12 33  1  0  0  0  0
 12 34  1  0  0  0  0
 13 31  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  1  0  0  0  0
 16 39  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 48  1  0  0  0  0
 20 49  1  0  0  0  0
 20 50  1  0  0  0  0
 21 51  1  0  0  0  0
 21 52  1  0  0  0  0
 21 53  1  0  0  0  0
M  END

$$$$
D02GLY
  -OEChem-10191521442D

 25 26  0     0  0  0  0  0  0999 V2000
    9.7942   -0.2500    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -2.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.7500    0.0000 C   0  0  0  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
    4.5981    1.7500    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
    2.8660    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -0.2500    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   -0.7500    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
    6.3301   -0.2500    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
    3.7320    2.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.3291    0.4400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100    2.7869    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    2.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900    1.7131    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  4  5  1  0  0  0  0
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 10 11  2  0  0  0  0
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 12 24  1  0  0  0  0
 13 16  2  0  0  0  0
 14 15  3  0  0  0  0
 16 25  1  0  0  0  0
M  END

$$$$
D02GMU
  -OEChem-10101305022D

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 44 85  1  0  0  0  0
M  END

$$$$
D02GNL
          09100900062D 1   1.00000     0.00000     0

 28 29  0     0  0            999 V2000
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  2  1  1  0     0  0
  3  2  1  0     0  0
  1  4  2  0     0  0
  1  5  1  0     0  0
  7  6  1  0     0  0
  8  7  2  0     0  0
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 10  9  2  0     0  0
 11 10  1  0     0  0
 11  6  2  0     0  0
 14 13  2  0     0  0
 15 13  2  0     0  0
 13 16  1  0     0  0
 12 13  1  0     0  0
  9 12  1  0     0  0
  8 17  1  0     0  0
  2  6  1  0     0  0
 19 18  1  0     0  0
 20 19  1  0     0  0
 21 20  2  0     0  0
 22 21  1  0     0  0
 23 22  2  0     0  0
 24 23  1  0     0  0
 24 19  2  0     0  0
 26 25  1  0     0  0
 25 28  1  0     0  0
 25 27  1  0     0  0
 22 25  1  0     0  0
  5 18  1  0     0  0
M  END

$$$$
D02GNN
  -OEChem-10101305022D

 36 37  0     0  0  0  0  0  0999 V2000
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    5.1350   -1.5000    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
    3.4030   -2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  6  1  0  0  0  0
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  1 27  1  0  0  0  0
  2  3  1  0  0  0  0
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  3  6  1  0  0  0  0
  3 19  1  0  0  0  0
  3 20  1  0  0  0  0
  4  7  2  0  0  0  0
  4  9  1  0  0  0  0
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  5 10  1  0  0  0  0
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 16 33  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
M  END

$$$$
D02GNX
  -OEChem-10101305022D

 27 28  0     0  0  0  0  0  0999 V2000
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 13 15  1  0  0  0  0
 13 24  1  0  0  0  0
 14 25  1  0  0  0  0
M  END

$$$$
D02GOE
  -OEChem-10101305022D

311314  0     1  0  0  0  0  0999 V2000
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M  END

$$$$
D02GOH
  -OEChem-10101305032D

 66 66  0     0  0  0  0  0  0999 V2000
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 28 29  1  0  0  0  0
 28 65  1  0  0  0  0
M  END

$$$$
D02GPJ
  -OEChem-10101305032D

 38 42  0     0  0  0  0  0  0999 V2000
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    2.0702    3.4264    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    3.9996    4.5403    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0000    0.9093    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2371   -0.7807    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2256    1.9485    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9579   -1.1225    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9219   -2.4734    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3118   -2.9533    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2261   -2.1608    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7587   -4.0234    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7764   -3.5895    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 17  2  0  0  0  0
  2 18  2  0  0  0  0
  3 10  1  0  0  0  0
  3 16  1  0  0  0  0
  3 30  1  0  0  0  0
  4 17  1  0  0  0  0
  4 18  1  0  0  0  0
  4 32  1  0  0  0  0
  5 23  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 10  2  0  0  0  0
  7  9  1  0  0  0  0
  7 13  2  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 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 28  1  0  0  0  0
 11 29  1  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  1  0  0  0  0
 14 18  1  0  0  0  0
 15 16  2  0  0  0  0
 15 19  1  0  0  0  0
 16 20  1  0  0  0  0
 19 21  2  0  0  0  0
 19 31  1  0  0  0  0
 20 22  2  0  0  0  0
 20 33  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  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
M  END

$$$$
D02GRY
  -OEChem-10191521592D

 29 30  0     1  0  0  0  0  0999 V2000
    4.6942    0.2851    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4341    1.5452    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1622    2.5233    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6974    0.8760    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6942    0.2851    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.7431   -0.0239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6942   -0.7149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3852    1.2362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.6452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1942    1.8239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0032    1.2362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8282   -1.2149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5602   -1.2149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8282   -2.2149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5602   -2.2149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6942   -2.7149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9543    1.5452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2546   -0.4056    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0342   -0.5714    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1942    2.4439    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4149    1.1060    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5392    1.0601    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5851    0.1845    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2912   -0.9049    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0972   -0.9049    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2912   -2.5249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0972   -2.5249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6942   -3.3349    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7518    2.7149    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1 11  1  0  0  0  0
  2  8  2  0  0  0  0
  3 17  1  0  0  0  0
  3 29  1  0  0  0  0
  4 17  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
  6  9  1  0  0  0  0
  6 18  1  0  0  0  0
  6 19  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 21  1  0  0  0  0
  9 22  1  0  0  0  0
  9 23  1  0  0  0  0
 10 11  2  0  0  0  0
 10 20  1  0  0  0  0
 11 17  1  0  0  0  0
 12 14  1  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 16  2  0  0  0  0
 14 26  1  0  0  0  0
 15 16  1  0  0  0  0
 15 27  1  0  0  0  0
 16 28  1  0  0  0  0
M  END

$$$$
D02GSL
  -OEChem-10101305022D

 33 35  0     0  0  0  0  0  0999 V2000
    6.0010   -2.2379    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
   10.3991   -0.7654    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    9.5273   -2.2621    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.7621    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    1.7621    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    0.7621    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.5312   -1.2621    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    4.2690    1.7621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    0.2621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    2.2621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    0.7621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    0.2621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -0.7379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    0.2621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -0.7379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -1.2379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7610   -1.2726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7610    0.7967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6671   -0.7587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6671    0.2829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8796    1.6544    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4810    2.3447    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0044   -0.2129    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8015   -0.2129    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8015    2.7370    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0044    2.7370    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9264    0.8697    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3249    0.1795    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.0721    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.0479    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7538   -1.8926    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7538    1.4167    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2028    0.5950    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 16  1  0  0  0  0
  2  7  1  0  0  0  0
  3  7  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 10  1  0  0  0  0
  5 11  1  0  0  0  0
  5 29  1  0  0  0  0
  6 12  2  0  0  0  0
  6 14  1  0  0  0  0
  7 19  1  0  0  0  0
  8 10  1  0  0  0  0
  8 21  1  0  0  0  0
  8 22  1  0  0  0  0
  9 11  1  0  0  0  0
  9 23  1  0  0  0  0
  9 24  1  0  0  0  0
 10 25  1  0  0  0  0
 10 26  1  0  0  0  0
 11 27  1  0  0  0  0
 11 28  1  0  0  0  0
 12 13  1  0  0  0  0
 13 16  2  0  0  0  0
 13 30  1  0  0  0  0
 14 15  2  0  0  0  0
 14 18  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 17 19  2  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
 19 20  1  0  0  0  0
 20 33  1  0  0  0  0
M  CHG  2   2  -1   7   1
M  END

$$$$
D02GSX
  -OEChem-10101305032D

 33 36  0     0  0  0  0  0  0999 V2000
    4.6660    3.5337    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3073   -0.4102    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3009   -0.3906    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6931   -2.9836    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000    1.0337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9061    0.4991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660    0.5337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000    2.0337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321    1.0337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321    2.0337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7696   -1.2533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660    2.5337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.0129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9061    2.5684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.0545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4260    0.4991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2308   -2.1405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4260    2.5684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3321    1.0129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3321    2.0545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3127   -0.8342    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2775   -1.6304    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4643    0.7008    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9132    3.1883    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4643    2.3666    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4188   -0.1209    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6877   -2.5596    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7229   -1.7634    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4188    3.1883    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8678    0.7008    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8678    2.3666    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9791   -3.5337    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0737   -2.9563    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  2  0  0  0  0
  2  3  1  0  0  0  0
  2  6  1  0  0  0  0
  2 11  1  0  0  0  0
  3  7  2  0  0  0  0
  4 17  1  0  0  0  0
  4 32  1  0  0  0  0
  4 33  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5  8  2  0  0  0  0
  6 13  2  0  0  0  0
  7  9  1  0  0  0  0
  8 12  1  0  0  0  0
  8 14  1  0  0  0  0
  9 10  1  0  0  0  0
  9 16  2  0  0  0  0
 10 12  1  0  0  0  0
 10 18  2  0  0  0  0
 11 17  1  0  0  0  0
 11 21  1  0  0  0  0
 11 22  1  0  0  0  0
 13 15  1  0  0  0  0
 13 23  1  0  0  0  0
 14 15  2  0  0  0  0
 14 24  1  0  0  0  0
 15 25  1  0  0  0  0
 16 19  1  0  0  0  0
 16 26  1  0  0  0  0
 17 27  1  0  0  0  0
 17 28  1  0  0  0  0
 18 20  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

$$$$
D02GTZ
  -OEChem-10101305022D

 52 57  0     0  0  0  0  0  0999 V2000
    8.9802    2.5346    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6501   -1.9654    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9802   -0.4654    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0520   -0.4654    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1142    1.0346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2482    0.5346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1142    2.0346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8462    1.0346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9802    0.5346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8462    2.0346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5161   -0.4654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2482    2.5346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3821    1.0346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2482   -0.4654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5161    0.5346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3821   -0.9654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6501   -0.9654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7402    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7402    2.5693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9180   -1.9654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7841   -2.4654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7841   -0.4654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2482    3.5346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3821    2.0346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9180   -0.9654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6462    1.0138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6462    2.0554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0080   -2.4722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 27 45  1  0  0  0  0
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 30 48  1  0  0  0  0
 31 32  1  0  0  0  0
 31 49  1  0  0  0  0
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 33 34  2  0  0  0  0
 33 51  1  0  0  0  0
 34 52  1  0  0  0  0
M  END

$$$$
D02GZX
  -OEChem-10101305032D

 38 39  0     1  0  0  0  0  0999 V2000
    5.4641    3.1550    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -4.3450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.5981   -1.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END

$$$$
D02HAL
  -OEChem-10191523032D

 39 40  0     1  0  0  0  0  0999 V2000
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 17  4  1  1  0  0  0
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 18  5  1  1  0  0  0
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 11 25  2  0  0  0  0
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 23 34  1  0  0  0  0
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 24 36  1  0  0  0  0
M  END

$$$$
D02HCQ
  -OEChem-10101305022D

 43 44  0     1  0  0  0  0  0999 V2000
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 15  4  1  1  0  0  0
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 24 25  1  0  0  0  0
 24 41  1  0  0  0  0
M  END

$$$$
D02HDI
  -OEChem-10191521402D

 62 62  0     0  0  0  0  0  0999 V2000
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 24 25  2  0  0  0  0
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 25 62  1  0  0  0  0
M  END

$$$$
D02HEK
  -OEChem-10101305022D

 26 28  0     0  0  0  0  0  0999 V2000
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  6 11  2  0  0  0  0
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 10 14  1  0  0  0  0
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 16 24  1  0  0  0  0
 16 25  1  0  0  0  0
 16 26  1  0  0  0  0
M  END

$$$$
D02HGS
  -OEChem-04152109482D

 29 31  0     0  0  0  0  0  0999 V2000
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 10 21  1  0  0  0  0
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 17 19  2  0  0  0  0
 17 26  1  0  0  0  0
 18 19  1  0  0  0  0
 18 27  1  0  0  0  0
M  END

$$$$
D02HHW
  -OEChem-10191522022D

 62 66  0     1  0  0  0  0  0999 V2000
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   12.7936    4.0066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7734    0.8575    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3032    0.3575    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7734   -0.1425    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.5165    4.1846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0413    0.8575    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0000   -2.9106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4722    4.1685    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1633    3.4757    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   12.5355    3.1377    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1194    4.8124    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1413    5.1424    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1348    3.4620    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9232    0.3575    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.7702    2.9815    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.8800    3.6824    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.0187    4.5482    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.1529    4.6868    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1 32  1  0  0  0  0
  2 17  1  0  0  0  0
  2 18  1  0  0  0  0
 16  3  1  6  0  0  0
  3 44  1  0  0  0  0
  4 19  2  0  0  0  0
  5 30  1  0  0  0  0
  5 34  1  0  0  0  0
  6 14  1  0  0  0  0
  6 34  1  0  0  0  0
 17  7  1  1  0  0  0
  7 20  1  0  0  0  0
  7 21  1  0  0  0  0
 15  8  1  6  0  0  0
  8 42  1  0  0  0  0
  8 43  1  0  0  0  0
  9 19  1  0  0  0  0
  9 24  1  0  0  0  0
  9 46  1  0  0  0  0
 10 21  2  0  0  0  0
 10 22  1  0  0  0  0
 11 20  2  0  0  0  0
 11 25  1  0  0  0  0
 12 23  1  0  0  0  0
 12 26  1  0  0  0  0
 12 50  1  0  0  0  0
 13 23  1  0  0  0  0
 13 25  2  0  0  0  0
 14 36  2  0  0  0  0
 15 16  1  0  0  0  0
 15 18  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
 17 40  1  0  0  0  0
 18 19  1  1  0  0  0
 18 41  1  0  0  0  0
 20 22  1  0  0  0  0
 21 45  1  0  0  0  0
 22 23  2  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 51  1  0  0  0  0
 26 27  1  0  0  0  0
 26 52  1  0  0  0  0
 26 53  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 31  1  0  0  0  0
 29 32  2  0  0  0  0
 29 54  1  0  0  0  0
 30 55  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 33  1  0  0  0  0
 33 58  1  0  0  0  0
 34 35  2  0  0  0  0
 35 36  1  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
 37 61  1  0  0  0  0
 37 62  1  0  0  0  0
M  END

$$$$
D02HMN
  -OEChem-10101305032D

 25 27  0     0  0  0  0  0  0999 V2000
    8.7040   -0.8013    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.3374    0.8915    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.5274    0.8518    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0274   -0.6871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3364    0.2640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0274   -0.6871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7183    0.2640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3518    0.4963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7123   -1.4718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0547   -0.2724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3424   -1.4718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7328   -1.2631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7029    0.4963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3219   -1.2631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.2724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0321   -0.0608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5274    1.4718    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5365    1.0881    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5139   -2.0592    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5408   -2.0592    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1459   -1.7254    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5182    1.0881    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9088   -1.7254    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3940   -0.1412    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8427   -0.6511    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 16  1  0  0  0  0
  2 16  1  0  0  0  0
  3  5  1  0  0  0  0
  3  7  1  0  0  0  0
  3 17  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  4  9  1  0  0  0  0
  5  8  1  0  0  0  0
  6  7  1  0  0  0  0
  6 11  2  0  0  0  0
  7 13  2  0  0  0  0
  8 10  2  0  0  0  0
  8 18  1  0  0  0  0
  9 12  2  0  0  0  0
  9 19  1  0  0  0  0
 10 12  1  0  0  0  0
 10 16  1  0  0  0  0
 11 14  1  0  0  0  0
 11 20  1  0  0  0  0
 12 21  1  0  0  0  0
 13 15  1  0  0  0  0
 13 22  1  0  0  0  0
 14 15  2  0  0  0  0
 14 23  1  0  0  0  0
 15 24  1  0  0  0  0
 16 25  1  0  0  0  0
M  END

$$$$
D02HMZ
  -OEChem-10101305022D

 32 34  0     0  0  0  0  0  0999 V2000
    2.0000   -2.2352    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.7788    2.1012    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.4128    0.7352    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.4128    2.4672    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.0468    1.1012    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4782   -2.8933    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3147    0.1012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3147    1.1012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4487   -1.3988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4487   -0.3988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1808    1.6012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1808   -0.3988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4487    1.6012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3147   -1.8988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1808   -1.3988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5827   -1.8988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1808    2.6012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4487    2.6012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.5000   -3.1012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9128    1.6012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9118   -0.0888    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7177   -0.0888    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    5.3147   -2.5188    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.5402   -0.8856    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2478   -3.6676    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 20  1  0  0  0  0
  1 21  1  0  0  0  0
  2 22  1  0  0  0  0
  3 22  1  0  0  0  0
  4 22  1  0  0  0  0
  5 11  1  0  0  0  0
  5 22  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 10  2  0  0  0  0
  7 12  1  0  0  0  0
  8 11  1  0  0  0  0
  8 13  2  0  0  0  0
  9 10  1  0  0  0  0
  9 14  2  0  0  0  0
  9 16  1  0  0  0  0
 10 23  1  0  0  0  0
 11 17  2  0  0  0  0
 12 15  2  0  0  0  0
 12 24  1  0  0  0  0
 13 18  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 27  1  0  0  0  0
 16 20  2  0  0  0  0
 17 19  1  0  0  0  0
 17 28  1  0  0  0  0
 18 19  2  0  0  0  0
 18 29  1  0  0  0  0
 19 30  1  0  0  0  0
 20 31  1  0  0  0  0
 21 32  1  0  0  0  0
M  END

$$$$
D02HNE
  -OEChem-10101305022D

 26 27  0     0  0  0  0  0  0999 V2000
    2.8090    0.2103    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.7281   -0.7981    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.7981    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.5371   -0.2103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0371   -1.7492    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3461   -0.7981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0371   -1.7492    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7770   -0.4891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5691    0.4891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6180    0.7981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3090    1.7492    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3090    1.7492    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9519    0.2504    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1222    0.2504    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4306   -1.8780    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1019   -2.3657    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9125   -1.0503    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6561   -0.2612    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9723   -2.3657    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6435   -1.8780    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1574   -0.5107    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6907   -1.1030    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1887    0.5107    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6554    1.1030    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6734    2.2507    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9446    2.2507    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  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  8  1  0  0  0  0
  3 12  2  0  0  0  0
  4  6  1  0  0  0  0
  4 13  1  0  0  0  0
  4 14  1  0  0  0  0
  5  7  1  0  0  0  0
  5 15  1  0  0  0  0
  5 16  1  0  0  0  0
  6  7  1  0  0  0  0
  6 17  1  0  0  0  0
  6 18  1  0  0  0  0
  7 19  1  0  0  0  0
  7 20  1  0  0  0  0
  8  9  1  0  0  0  0
  8 21  1  0  0  0  0
  8 22  1  0  0  0  0
  9 10  1  0  0  0  0
  9 23  1  0  0  0  0
  9 24  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 11 25  1  0  0  0  0
 12 26  1  0  0  0  0
M  END

$$$$
D02HNM
  -OEChem-10111523222D

 28 28  0     1  0  0  0  0  0999 V2000
    4.2690   -3.4050    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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    5.1350    3.0950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1350    2.0950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1350    2.0950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    0.5950    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.5950    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.1350    1.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -0.4050    0.0000 C   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
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    2.8660   -2.2150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    5.6720    3.4050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4450    1.5581    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 15  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  8  1  0  0  0  0
  3 27  1  0  0  0  0
  4 28  1  0  0  0  0
  6 10  1  0  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 10  1  0  0  0  0
  7 16  1  0  0  0  0
  8 17  1  0  0  0  0
  8 18  1  0  0  0  0
  9 11  2  0  0  0  0
  9 12  1  0  0  0  0
 10 19  1  0  0  0  0
 10 20  1  0  0  0  0
 11 13  1  0  0  0  0
 11 21  1  0  0  0  0
 12 14  2  0  0  0  0
 12 22  1  0  0  0  0
 13 15  2  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
M  END

$$$$
D02HNQ
  -OEChem-10191521502D

 55 59  0     0  0  0  0  0  0999 V2000
    5.1350   -4.1276    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   11.2774    1.5676    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   11.5880    4.1276    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    1.3724    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -2.6276    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -4.1276    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8610    2.3724    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.8610    2.3724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4488    1.5634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4488    3.1814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3998    1.8724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3998    2.8724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2774    3.1771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3312    2.8724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3312    1.8724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651    3.3724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651    1.3724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991    1.8724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.8671    1.8724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.2690    0.3724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.2690   -1.6276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.1350   -3.1276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -3.1276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5795    1.8200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.7010    3.7478    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.9118    1.2534    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.7010    0.9970    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.9118    3.4914    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.5287    1.2659    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.0164    1.9372    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.0164    2.8076    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.5287    3.4788    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651    3.9924    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    8.0622    3.1824    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1 32  1  0  0  0  0
  2  7  1  0  0  0  0
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  9 11  1  0  0  0  0
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  9 37  1  0  0  0  0
 10 12  1  0  0  0  0
 10 35  1  0  0  0  0
 10 38  1  0  0  0  0
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 11 39  1  0  0  0  0
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 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
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 15 17  1  0  0  0  0
 16 19  2  0  0  0  0
 16 43  1  0  0  0  0
 17 18  2  0  0  0  0
 17 44  1  0  0  0  0
 18 19  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 23  1  0  0  0  0
 22 25  1  0  0  0  0
 22 26  2  0  0  0  0
 23 48  1  0  0  0  0
 24 27  2  0  0  0  0
 24 49  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 50  1  0  0  0  0
 27 51  1  0  0  0  0
 28 30  1  0  0  0  0
 28 52  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 33  1  0  0  0  0
 31 32  1  0  0  0  0
 31 54  1  0  0  0  0
M  END

$$$$
D02HOG
  -OEChem-10101305032D

 24 24  0     0  0  0  0  0  0999 V2000
    5.4641    1.1900    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.6900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.3100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    1.6900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9641    2.0560    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9641    0.3240    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.8100    0.0000 O   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
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    3.7320   -0.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.8100    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
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    2.8660   -0.3100    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
    6.0010   -2.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951   -2.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.9300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8862   -1.3469    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331   -1.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5062   -0.2731    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    2.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3441    2.0560    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  8  1  0  0  0  0
  3  9  1  0  0  0  0
  3 15  1  0  0  0  0
  4 23  1  0  0  0  0
  5 24  1  0  0  0  0
  7 14  2  0  0  0  0
  8  9  1  0  0  0  0
  8 10  2  0  0  0  0
  9 11  2  0  0  0  0
 10 12  1  0  0  0  0
 10 14  1  0  0  0  0
 11 13  1  0  0  0  0
 11 16  1  0  0  0  0
 12 13  2  0  0  0  0
 12 17  1  0  0  0  0
 13 18  1  0  0  0  0
 14 19  1  0  0  0  0
 15 20  1  0  0  0  0
 15 21  1  0  0  0  0
 15 22  1  0  0  0  0
M  END

$$$$
D02HOL
  -OEChem-10101305022D

 24 25  0     0  0  0  0  0  0999 V2000
    6.2619    0.3010    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.6783   -0.5037    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783    1.1057    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  1 11  1  0  0  0  0
  2  7  1  0  0  0  0
  2  9  1  0  0  0  0
  2 11  1  0  0  0  0
  3 10  1  0  0  0  0
  3 11  2  0  0  0  0
  4  9  2  0  0  0  0
  4 14  1  0  0  0  0
  5 13  1  0  0  0  0
  5 14  2  0  0  0  0
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  6 23  1  0  0  0  0
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  7  8  1  0  0  0  0
  7 15  1  0  0  0  0
  7 16  1  0  0  0  0
  8 12  1  0  0  0  0
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  9 10  1  0  0  0  0
 10 13  2  0  0  0  0
 12 19  1  0  0  0  0
 12 20  1  0  0  0  0
 12 21  1  0  0  0  0
 14 22  1  0  0  0  0
M  END

$$$$
D02HOP
  -OEChem-10101305022D

 31 33  0     0  0  0  0  0  0999 V2000
    9.5312    1.7568    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
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    3.4030   -1.7673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    0.2327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    1.2327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    0.2327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    1.2327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    1.7327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7610   -0.3020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.6671    1.2535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8015    0.7076    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.3249    0.3153    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9264   -0.3750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0044   -2.2423    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8015   -2.2423    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.5773    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.5427    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    7.7538   -0.9220    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7538    2.3873    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2028   -0.1002    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 17  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  2  9  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  3 26  1  0  0  0  0
  4  9  2  0  0  0  0
  4 11  1  0  0  0  0
  5  7  1  0  0  0  0
  5 18  1  0  0  0  0
  5 19  1  0  0  0  0
  6  8  1  0  0  0  0
  6 20  1  0  0  0  0
  6 21  1  0  0  0  0
  7 22  1  0  0  0  0
  7 23  1  0  0  0  0
  8 24  1  0  0  0  0
  8 25  1  0  0  0  0
  9 10  1  0  0  0  0
 10 13  2  0  0  0  0
 10 27  1  0  0  0  0
 11 12  2  0  0  0  0
 11 14  1  0  0  0  0
 12 13  1  0  0  0  0
 12 15  1  0  0  0  0
 13 28  1  0  0  0  0
 14 16  2  0  0  0  0
 14 29  1  0  0  0  0
 15 17  2  0  0  0  0
 15 30  1  0  0  0  0
 16 17  1  0  0  0  0
 16 31  1  0  0  0  0
M  END

$$$$
D02HPI
          07221001122D 1   1.00000     0.00000     0

 26 29  0     0  0            999 V2000
    2.9164   -0.7402    0.0000 C   0  0  0  0  0  0           0  0  0
    3.5287   -0.3852    0.0000 C   0  0  0  0  0  0           0  0  0
    3.5258    0.3287    0.0000 C   0  0  0  0  0  0           0  0  0
    2.9146    0.6795    0.0000 C   0  0  0  0  0  0           0  0  0
    2.3016   -0.3857    0.0000 C   0  0  0  0  0  0           0  0  0
    2.2988    0.3264    0.0000 C   0  0  0  0  0  0           0  0  0
    1.6208    0.5438    0.0000 N   0  0  0  0  0  0           0  0  0
    1.2045   -0.0339    0.0000 C   0  0  0  0  0  0           0  0  0
    1.6253   -0.6082    0.0000 N   0  0  0  0  0  0           0  0  0
    4.1431   -0.7376    0.0000 C   0  0  0  0  0  0           0  0  0
    4.1452   -1.4459    0.0000 N   0  0  0  0  0  0           0  0  0
    4.7555   -0.3816    0.0000 N   0  0  0  0  0  0           0  0  0
   -2.8973    0.9167    0.0000 C   0  0  0  0  0  0           0  0  0
   -2.8984    0.2060    0.0000 C   0  0  0  0  0  0           0  0  0
   -2.2836   -0.1485    0.0000 C   0  0  0  0  0  0           0  0  0
   -2.2854    1.2711    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.6742    0.9203    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.6696    0.2060    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.9888   -0.0103    0.0000 O   0  0  0  0  0  0           0  0  0
   -0.5726    0.5703    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.9963    1.1454    0.0000 C   0  0  0  0  0  0           0  0  0
   -3.5107    1.2709    0.0000 C   0  0  0  0  0  0           0  0  0
   -3.5106    1.9793    0.0000 N   0  0  0  0  0  0           0  0  0
   -4.1241    0.9168    0.0000 N   0  0  0  0  0  0           0  0  0
    0.1357    0.5748    0.0000 C   0  0  0  0  0  0           0  0  0
    0.4938   -0.0363    0.0000 C   0  0  0  0  0  0           0  0  0
 10 12  1  0     0  0
  5  6  2  0     0  0
  5  1  1  0     0  0
 13 14  2  0     0  0
 14 15  1  0     0  0
 15 18  2  0     0  0
  1  2  2  0     0  0
 17 16  2  0     0  0
 16 13  1  0     0  0
 17 18  1  0     0  0
  2  3  1  0     0  0
  6  7  1  0     0  0
  7  8  1  0     0  0
  8  9  2  0     0  0
 18 19  1  0     0  0
 19 20  1  0     0  0
 20 21  2  0     0  0
 21 17  1  0     0  0
  9  5  1  0     0  0
 13 22  1  0     0  0
 22 23  2  0     0  0
  2 10  1  0     0  0
 22 24  1  0     0  0
  3  4  2  0     0  0
 20 25  1  0     0  0
 10 11  2  0     0  0
 25 26  2  0     0  0
 26  8  1  0     0  0
  4  6  1  0     0  0
M  END

$$$$
D02HQK
  -OEChem-10101305022D

 33 34  0     0  0  0  0  0  0999 V2000
    2.0000   -1.6900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.6900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.1900    0.0000 N   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
    3.7320    1.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.3100    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   -0.1900    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
    2.8660    0.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.1900    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
    4.5981    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
    4.5981    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
    3.7320   -3.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9441   -2.2726    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3426   -1.5823    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -0.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -0.5000    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
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    2.3291    2.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    2.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291    4.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    4.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    4.9300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4220   -4.2269    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
    4.0420   -3.1531    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
  1 12  2  0  0  0  0
  2  3  1  0  0  0  0
  2 33  1  0  0  0  0
  3 12  1  0  0  0  0
  3 18  1  0  0  0  0
  4  6  1  0  0  0  0
  4  8  2  0  0  0  0
  4  9  1  0  0  0  0
  5  7  1  0  0  0  0
  5 10  2  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
  6 19  1  0  0  0  0
  6 20  1  0  0  0  0
  7 13  2  0  0  0  0
  7 14  1  0  0  0  0
  8 10  1  0  0  0  0
  8 21  1  0  0  0  0
  9 11  2  0  0  0  0
  9 22  1  0  0  0  0
 10 23  1  0  0  0  0
 11 24  1  0  0  0  0
 13 15  1  0  0  0  0
 13 25  1  0  0  0  0
 14 16  2  0  0  0  0
 14 26  1  0  0  0  0
 15 17  2  0  0  0  0
 15 27  1  0  0  0  0
 16 17  1  0  0  0  0
 16 28  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
M  END

$$$$
D02HQS
  -OEChem-10101305022D

 26 27  0     0  0  0  0  0  0999 V2000
    6.3301    1.2500    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.2500    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    4.2500    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -4.2500    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.2500    0.0000 O   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
    4.5981    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.2500    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
    2.8660   -1.7500    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
    3.7320    1.7500    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
    2.8660   -2.7500    0.0000 C   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
    3.7320    2.7500    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
    3.7320   -3.2500    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
    5.1350   -1.4400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951    1.4400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -3.0600    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
    5.1350   -3.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951    3.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  1  0  0  0  0
  2 11  1  0  0  0  0
  3 20  1  0  0  0  0
  4 19  1  0  0  0  0
  5  9  2  0  0  0  0
  6 10  2  0  0  0  0
  7  9  1  0  0  0  0
  7 11  2  0  0  0  0
  7 14  1  0  0  0  0
  8 10  1  0  0  0  0
  8 12  2  0  0  0  0
  8 13  1  0  0  0  0
  9 10  1  0  0  0  0
 11 15  1  0  0  0  0
 12 16  1  0  0  0  0
 13 17  2  0  0  0  0
 13 22  1  0  0  0  0
 14 18  2  0  0  0  0
 14 21  1  0  0  0  0
 15 19  2  0  0  0  0
 15 23  1  0  0  0  0
 16 20  2  0  0  0  0
 16 24  1  0  0  0  0
 17 20  1  0  0  0  0
 17 26  1  0  0  0  0
 18 19  1  0  0  0  0
 18 25  1  0  0  0  0
M  END

$$$$
D02HRB
  -OEChem-10101305022D

 38 41  0     0  0  0  0  0  0999 V2000
    8.0321   -1.5917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9721    0.6552    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0274   -2.2180    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5274   -0.6792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.6255    0.1391    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7123   -3.0028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3364   -1.2670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0274   -2.2180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7328   -2.7940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3518   -1.0347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7183   -1.2670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0547   -1.8034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3424   -3.0028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7029   -1.0347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.5438    2.7836    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5195    3.0028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1 12  2  0  0  0  0
  2 15  2  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  7  1  0  0  0  0
  4 11  1  0  0  0  0
  4 28  1  0  0  0  0
  5 15  1  0  0  0  0
  5 18  1  0  0  0  0
  5 33  1  0  0  0  0
  6  9  1  0  0  0  0
  6 24  1  0  0  0  0
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  7 10  2  0  0  0  0
  8 11  1  0  0  0  0
  8 13  2  0  0  0  0
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  9 26  1  0  0  0  0
  9 27  1  0  0  0  0
 10 12  1  0  0  0  0
 10 15  1  0  0  0  0
 11 14  2  0  0  0  0
 13 16  1  0  0  0  0
 13 29  1  0  0  0  0
 14 17  1  0  0  0  0
 14 30  1  0  0  0  0
 16 17  2  0  0  0  0
 16 31  1  0  0  0  0
 17 32  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 34  1  0  0  0  0
 20 22  2  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 23  1  0  0  0  0
 22 37  1  0  0  0  0
 23 38  1  0  0  0  0
M  END

$$$$
D02HSP
  -OEChem-10101305022D

 64 66  0     1  0  0  0  0  0999 V2000
    6.5862   -2.5674    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3074   -3.0286    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   10.2669    2.1350    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 31 59  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

$$$$
D02HSZ
  -OEChem-10101305032D

 41 43  0     0  0  0  0  0  0999 V2000
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 10 14  1  0  0  0  0
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 25 38  1  0  0  0  0
 25 39  1  0  0  0  0
 25 40  1  0  0  0  0
M  END

$$$$
D02HTG
  -OEChem-10101305022D

 22 23  0     0  0  0  0  0  0999 V2000
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  1 11  1  0  0  0  0
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  3  5  1  0  0  0  0
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 10 20  1  0  0  0  0
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 13 21  1  0  0  0  0
 14 22  1  0  0  0  0
M  END

$$$$
D02HVH
  -OEChem-10101305022D

 41 42  0     0  0  0  0  0  0999 V2000
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    3.2828    2.9576    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1995    3.7503    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4639    1.2350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3806    2.0277    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    1.7504    3.6673    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.1076   -1.1192    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2522    6.4023    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2106   -3.0061    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4090   -4.5922    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4090   -6.2122    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2149   -6.2122    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8120   -7.0222    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 13  1  0  0  0  0
  2 16  1  0  0  0  0
  3 12  2  0  0  0  0
  4 12  1  0  0  0  0
  4 13  1  0  0  0  0
  4 34  1  0  0  0  0
  5 13  2  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 22  1  0  0  0  0
  6 23  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 10  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 28  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 32  1  0  0  0  0
 11 33  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  2  0  0  0  0
 15 17  2  0  0  0  0
 15 18  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
 18 20  2  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 21  1  0  0  0  0
 20 40  1  0  0  0  0
 21 41  1  0  0  0  0
M  END

$$$$
D02HVL
  -OEChem-10101305022D

 28 28  0     0  0  0  0  0  0999 V2000
    2.0000    0.9050    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.9050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -3.5950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -2.0950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.0950    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
    4.5981    3.4050    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
    3.7320   -2.0950    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
    4.5981   -0.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.4050    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
    5.4641    3.9050    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
    4.8101    1.8224    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2087    2.5127    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3860    3.9876    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    3.1215   -1.9873    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.3291   -0.9050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -0.9050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    5.1350   -3.9050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  1  0  0  0  0
  2  6  1  0  0  0  0
  2  8  1  0  0  0  0
  3 15  1  0  0  0  0
  3 28  1  0  0  0  0
  4 15  2  0  0  0  0
  5  9  1  0  0  0  0
  5 10  2  0  0  0  0
  5 11  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 14  1  0  0  0  0
  7 18  1  0  0  0  0
  7 19  1  0  0  0  0
  8 12  2  0  0  0  0
  8 13  1  0  0  0  0
  9 15  1  0  0  0  0
  9 20  1  0  0  0  0
  9 21  1  0  0  0  0
 10 12  1  0  0  0  0
 10 22  1  0  0  0  0
 11 13  2  0  0  0  0
 11 23  1  0  0  0  0
 13 24  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
M  END

$$$$
D02HVT
  -OEChem-10101305032D

112112  0     1  0  0  0  0  0999 V2000
   10.6603   -6.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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    6.3301    0.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5263   -4.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603   -3.0000    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
    5.4641    5.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    6.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    4.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    8.0622   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.6603   -4.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 51105  1  0  0  0  0
 51106  1  0  0  0  0
 53 54  1  0  0  0  0
 54109  1  0  0  0  0
 54110  1  0  0  0  0
 54111  1  0  0  0  0
M  END

$$$$
D02HWL
  -OEChem-10191522322D

 87 86  0     1  0  0  0  0  0999 V2000
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 20 24  1  0  0  0  0
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 20 60  1  0  0  0  0
 21 25  1  0  0  0  0
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 22 26  1  0  0  0  0
 22 63  1  0  0  0  0
 22 64  1  0  0  0  0
 23 28  1  0  0  0  0
 23 65  1  0  0  0  0
 23 66  1  0  0  0  0
 24 27  1  0  0  0  0
 24 67  1  0  0  0  0
 24 68  1  0  0  0  0
 25 29  1  0  0  0  0
 25 69  1  0  0  0  0
 25 70  1  0  0  0  0
 26 30  1  0  0  0  0
 26 71  1  0  0  0  0
 26 72  1  0  0  0  0
 27 31  1  0  0  0  0
 27 73  1  0  0  0  0
 27 74  1  0  0  0  0
 28 32  1  0  0  0  0
 28 75  1  0  0  0  0
 28 76  1  0  0  0  0
 29 30  2  0  0  0  0
 29 77  1  0  0  0  0
 30 78  1  0  0  0  0
 31 79  1  0  0  0  0
 31 80  1  0  0  0  0
 31 81  1  0  0  0  0
 33 34  1  0  0  0  0
 33 35  1  0  0  0  0
 33 82  1  0  0  0  0
 34 83  1  0  0  0  0
 34 84  1  0  0  0  0
 35 85  1  0  0  0  0
 35 86  1  0  0  0  0
M  CHG  2   5  -1   9   1
M  END

$$$$
D02HWR
          11260900062D 1   1.00000     0.00000     0

 28 30  0     0  0            999 V2000
   -2.2458    0.1708    0.0000 C   0  0  0  0  0  0           0  0  0
   -2.2458   -0.5375    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.6338   -0.8917    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.6338    0.5250    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.0218    0.1708    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.0218   -0.5384    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.3473   -0.7576    0.0000 C   0  0  0  0  0  0           0  0  0
    0.0696   -0.1838    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.3473    0.3899    0.0000 N   0  0  0  0  0  0           0  0  0
   -1.6338    1.2333    0.0000 N   0  3  0  0  0  0           0  0  0
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   -2.2472    1.5875    0.0000 O   0  0  0  0  0  0           0  0  0
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    3.2559   -0.7975    0.0000 C   0  0  0  0  0  0           0  0  0
    2.8979   -0.1820    0.0000 C   0  0  0  0  0  0           0  0  0
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    4.3192   -1.4095    0.0000 C   0  0  0  0  0  0           0  0  0
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    6.0876    0.4331    0.0000 N   0  0  0  0  0  0           0  0  0
    5.0242    1.0451    0.0000 N   0  0  0  0  0  0           0  0  0
  8 13  1  0     0  0
 13 14  1  0     0  0
 13 15  2  0     0  0
 14 16  1  0     0  0
  1  2  1  0     0  0
 16 17  2  0     0  0
  1  4  2  0     0  0
 17 18  1  0     0  0
  6  7  1  0     0  0
 18 19  2  0     0  0
  7  8  2  0     0  0
 19 20  1  0     0  0
  8  9  1  0     0  0
 20 21  2  0     0  0
 21 16  1  0     0  0
  9  5  1  0     0  0
 19 22  1  0     0  0
  2  3  2  0     0  0
 22 23  1  0     0  0
  4 10  1  0     0  0
 22 24  2  0     0  0
  3  6  1  0     0  0
 24 25  1  0     0  0
 10 11  1  0     0  0
 25 26  1  0     0  0
  5  4  1  0     0  0
 26 27  2  0     0  0
 10 12  2  0     0  0
 26 28  1  0     0  0
  5  6  2  0     0  0
M  CHG  2  10   1  11  -1
M  END

$$$$
D02HXC
  -OEChem-10101305022D

 45 48  0     0  0  0  0  0  0999 V2000
    4.7195    4.6519    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -4.4552    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -5.4552    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2128    5.5218    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2261    3.7821    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -4.4552    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0000   -4.4552    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7484   -0.4206    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6086    0.0894    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8496    5.1452    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5970    3.1586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8660   -2.9552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4669    2.6653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8660   -1.9552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 28 40  1  0  0  0  0
 29 41  1  0  0  0  0
 30 42  1  0  0  0  0
M  END

$$$$
D02HYG
  -OEChem-10191521322D

 15 14  0     0  0  0  0  0  0999 V2000
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  2  4  1  0  0  0  0
  2 13  1  0  0  0  0
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  3  4  1  0  0  0  0
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  5 11  1  0  0  0  0
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  6 15  1  0  0  0  0
M  END

$$$$
D02HYT
  -OEChem-10101305022D

 40 42  0     0  0  0  0  0  0999 V2000
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 23 39  1  0  0  0  0
 23 40  1  0  0  0  0
M  END

$$$$
D02HYW
  -OEChem-10101305022D

 55 57  0     1  0  0  0  0  0999 V2000
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 25 46  1  0  0  0  0
 26 27  2  0  0  0  0
 26 47  1  0  0  0  0
 27 28  1  0  0  0  0
 27 29  1  0  0  0  0
 28 50  1  0  0  0  0
 28 51  1  0  0  0  0
 28 55  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
M  END

$$$$
D02HZG
  -OEChem-10101305032D

 27 27  0     0  0  0  0  0  0999 V2000
    2.0000   -1.0000    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.0000    0.0000 O   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
    4.5981    1.5000    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
    5.4641    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    1.5000    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
    2.8660   -1.5000    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   -2.5000    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
    3.7320   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3860    2.0826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9875    1.3923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8101   -0.0826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2087    0.6077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0841    3.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0201    0.9631    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    1.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6401    2.0369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    3.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8441    3.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -1.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -2.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -2.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  2  5  1  0  0  0  0
  2  8  1  0  0  0  0
  3  4  1  0  0  0  0
  3  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  5  1  0  0  0  0
  4 14  1  0  0  0  0
  4 15  1  0  0  0  0
  5 16  1  0  0  0  0
  5 17  1  0  0  0  0
  6 18  1  0  0  0  0
  6 22  1  0  0  0  0
  6 23  1  0  0  0  0
  7 19  1  0  0  0  0
  7 20  1  0  0  0  0
  7 21  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  2  0  0  0  0
  9 11  2  0  0  0  0
 10 12  1  0  0  0  0
 10 24  1  0  0  0  0
 11 13  1  0  0  0  0
 11 25  1  0  0  0  0
 12 13  2  0  0  0  0
 12 26  1  0  0  0  0
 13 27  1  0  0  0  0
M  END

$$$$
D02HZJ
  -OEChem-10101305022D

 44 47  0     0  0  0  0  0  0999 V2000
    4.5981   -0.2500    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
    7.1962   -1.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    0.2500    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   -1.2500    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
    8.9282   -1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    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  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
    9.7942   -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
    4.5981   -1.2500    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
    6.3301    2.7500    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
   10.6603   -1.7500    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
    2.8660   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.7500    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
    2.0000   -1.7500    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
    2.0000   -2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7932    0.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -2.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991    1.4400    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
    8.3913   -3.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942   -0.6300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991    3.0600    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
    9.7942   -3.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1972   -1.4400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    3.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.6300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -3.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1972   -3.0600    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
    2.8660   -3.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -3.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 16  2  0  0  0  0
  2  5  1  0  0  0  0
  2  7  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  8  1  0  0  0  0
  4 16  1  0  0  0  0
  4 29  1  0  0  0  0
  5  6  1  0  0  0  0
  5  9  2  0  0  0  0
  6 11  2  0  0  0  0
  6 12  1  0  0  0  0
  7 10  1  0  0  0  0
  8  9  1  0  0  0  0
  9 28  1  0  0  0  0
 10 13  2  0  0  0  0
 10 14  1  0  0  0  0
 11 17  1  0  0  0  0
 11 30  1  0  0  0  0
 12 18  2  0  0  0  0
 12 31  1  0  0  0  0
 13 19  1  0  0  0  0
 13 32  1  0  0  0  0
 14 20  2  0  0  0  0
 14 33  1  0  0  0  0
 15 16  1  0  0  0  0
 15 22  2  0  0  0  0
 15 23  1  0  0  0  0
 17 21  2  0  0  0  0
 17 34  1  0  0  0  0
 18 21  1  0  0  0  0
 18 35  1  0  0  0  0
 19 24  2  0  0  0  0
 19 36  1  0  0  0  0
 20 24  1  0  0  0  0
 20 37  1  0  0  0  0
 21 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
 24 41  1  0  0  0  0
 25 27  2  0  0  0  0
 25 42  1  0  0  0  0
 26 27  1  0  0  0  0
 26 43  1  0  0  0  0
 27 44  1  0  0  0  0
M  END

$$$$
D02IBM
  -OEChem-10111523372D

 57 59  0     1  0  0  0  0  0999 V2000
    3.4422    3.9238    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8530   -0.7672    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4403    1.7211    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9920    3.3942    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9212   -0.2495    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1800   -1.2154    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.4047   -2.4402    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1964    1.8412    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.6964    0.9752    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.7055    2.9412    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.9644    1.9752    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.8736    2.1823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1324    1.2164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1623    2.1001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9552    0.0093    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4212    3.0660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3871    3.3248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0942    2.6177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1459   -1.4743    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0601    2.8765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7672    2.1694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3706   -2.6990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7331    2.4282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0778   -1.9919    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6295   -3.6649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0437   -2.2507    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5954   -3.9238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3025   -3.2166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2441    2.4594    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2045    0.5978    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4856    3.7622    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1844    1.1542    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2823    1.9959    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6615    2.7649    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3445    0.6338    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5411    1.0300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7800    2.0460    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2164    1.4824    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9012   -0.6083    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3376   -0.0447    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9828    3.5044    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3596    0.1889    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5476    3.9237    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7416   -1.6539    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3562    2.0558    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5863    2.2621    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7981    3.4384    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5680    3.2321    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0292    1.6075    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2594    1.8138    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9663   -2.8786    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9173   -1.3930    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1911   -4.1034    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.0391    1.8816    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4821   -1.8123    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7559   -4.5226    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9014   -3.3771    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 19  2  0  0  0  0
  3 23  1  0  0  0  0
  3 54  1  0  0  0  0
  4 23  2  0  0  0  0
  5  6  1  0  0  0  0
  5 15  1  0  0  0  0
  5 42  1  0  0  0  0
  6 19  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 51  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 14  1  6  0  0  0
  8 29  1  0  0  0  0
  9 11  1  0  0  0  0
  9 15  1  6  0  0  0
  9 30  1  0  0  0  0
 10 12  1  0  0  0  0
 10 31  1  6  0  0  0
 11 13  1  0  0  0  0
 11 32  1  1  0  0  0
 12 13  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
 14 16  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 17  2  0  0  0  0
 16 41  1  0  0  0  0
 17 18  1  0  0  0  0
 17 43  1  0  0  0  0
 18 20  1  0  0  0  0
 18 45  1  0  0  0  0
 18 46  1  0  0  0  0
 20 21  1  0  0  0  0
 20 47  1  0  0  0  0
 20 48  1  0  0  0  0
 21 23  1  0  0  0  0
 21 49  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 27  2  0  0  0  0
 25 53  1  0  0  0  0
 26 28  2  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

$$$$
D02IBS
          10010900232D 1   1.00000     0.00000     0

 29 31  0     0  0            999 V2000
    2.2083   -1.3750    0.0000 N   0  0  3  0  0  0           0  0  0
    2.2083   -2.0833    0.0000 C   0  0  0  0  0  0           0  0  0
    2.8204   -2.4375    0.0000 C   0  0  0  0  0  0           0  0  0
    3.4324   -2.0833    0.0000 C   0  0  0  0  0  0           0  0  0
    3.4324   -1.3750    0.0000 C   0  0  0  0  0  0           0  0  0
    2.8204   -1.0208    0.0000 C   0  0  0  0  0  0           0  0  0
    2.8204   -0.3125    0.0000 O   0  0  0  0  0  0           0  0  0
    1.5947   -1.0211    0.0000 C   0  0  0  0  0  0           0  0  0
    0.9815   -1.3756    0.0000 C   0  0  0  0  0  0           0  0  0
    0.3697   -1.0178    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.2432   -1.3717    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.2432   -2.0808    0.0000 C   0  0  0  0  0  0           0  0  0
    0.3747   -2.4345    0.0000 C   0  0  0  0  0  0           0  0  0
    0.9851   -2.0786    0.0000 C   0  0  0  0  0  0           0  0  0
    4.0460   -1.0211    0.0000 C   0  0  0  0  0  0           0  0  0
    4.6592   -1.3756    0.0000 C   0  0  0  0  0  0           0  0  0
    5.2729   -1.0218    0.0000 C   0  0  0  0  0  0           0  0  0
    5.8861   -1.3762    0.0000 C   0  0  0  0  0  0           0  0  0
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    5.8858   -2.0846    0.0000 O   0  0  0  0  0  0           0  0  0
    6.4997   -1.0224    0.0000 O   0  0  0  0  0  0           0  0  0
    2.8204   -3.1458    0.0000 C   0  0  0  0  0  0           0  0  0
    3.4338   -3.5000    0.0000 C   0  0  0  0  0  0           0  0  0
    3.4310   -4.2093    0.0000 C   0  0  0  0  0  0           0  0  0
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    4.0425   -3.1463    0.0000 C   0  0  0  0  0  0           0  0  0
    4.0463   -0.3128    0.0000 O   0  0  0  0  0  0           0  0  0
  4  5  2  0     0  0
 13 14  2  0     0  0
 14  9  1  0     0  0
  5  6  1  0     0  0
  5 15  1  0     0  0
 15 16  1  0     0  0
  6  7  2  0     0  0
 16 17  2  0     0  0
  1  2  1  0     0  0
 17 18  1  0     0  0
  1  8  1  0     0  0
 17 19  1  0     0  0
 18 20  2  0     0  0
  8  9  1  0     0  0
 18 21  1  0     0  0
  3 22  1  0     0  0
  9 10  2  0     0  0
 22 23  1  0     0  0
  1  6  1  0     0  0
 23 24  2  0     0  0
 10 11  1  0     0  0
 24 25  1  0     0  0
  2  3  2  0     0  0
 25 26  2  0     0  0
 11 12  2  0     0  0
 26 27  1  0     0  0
  3  4  1  0     0  0
 27 28  2  0     0  0
 28 23  1  0     0  0
 12 13  1  0     0  0
 15 29  2  0     0  0
M  END

$$$$
D02ICX
  -OEChem-04152108432D

 41 42  0     1  0  0  0  0  0999 V2000
    2.0000    0.9806    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.9806    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.9806    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.5411    2.5684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9230    2.5684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2320    3.5194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2320    3.5194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.4806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.4806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.9806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.5194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.4806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.0194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.0194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.0194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.2690    1.2906    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8511    2.0314    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1075    2.8205    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3566    2.8205    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8385    3.6483    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    3.2969    4.1360    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    6.6401    1.0175    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    1.4631   -0.7094    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8660   -4.1394    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4860   -3.5194    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  2  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  8  1  0  0  0  0
  3  9  1  0  0  0  0
  3 19  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  7  1  0  0  0  0
  5 22  1  0  0  0  0
  5 23  1  0  0  0  0
  6  7  1  0  0  0  0
  6 24  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 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
 10 12  1  0  0  0  0
 10 30  1  0  0  0  0
 10 31  1  0  0  0  0
 11 13  2  0  0  0  0
 11 14  1  0  0  0  0
 12 32  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
 14 16  2  0  0  0  0
 14 36  1  0  0  0  0
 15 17  2  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 18  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
M  END

$$$$
D02IDM
  -OEChem-10101305022D

 33 34  0     1  0  0  0  0  0999 V2000
    9.5312    1.3168    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -0.7073    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -0.7073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -0.2073    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.1350   -0.2073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -0.2073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -0.7073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    0.7927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    0.7927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    1.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    0.7927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7610   -0.7420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7610    1.3273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6671    0.8135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6671   -0.2281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3991    0.8202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8705   -1.1823    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6675   -1.1823    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -0.8273    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.5981    1.1027    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    1.9127    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0230    0.7927    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.7830    0.7927    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7538   -1.3620    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.5369   -1.3273    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   10.0912    0.2820    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9372    0.5122    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7070    1.3583    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  4  1  0  0  0  0
  2 28  1  0  0  0  0
  2 29  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3 17  1  0  0  0  0
  3 18  1  0  0  0  0
  4 11  1  0  0  0  0
  4 19  1  0  0  0  0
  5  7  2  0  0  0  0
  5  9  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  2  0  0  0  0
  6 12  1  0  0  0  0
  7 20  1  0  0  0  0
  8 10  1  0  0  0  0
  8 13  1  0  0  0  0
  9 10  2  0  0  0  0
  9 21  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 25  1  0  0  0  0
 12 15  2  0  0  0  0
 12 26  1  0  0  0  0
 13 14  2  0  0  0  0
 13 27  1  0  0  0  0
 14 15  1  0  0  0  0
 15 30  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
M  END

$$$$
D02IDN
  -OEChem-10101305022D

 35 38  0     0  0  0  0  0  0999 V2000
    6.9006    0.4749    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9121   -2.5944    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5381    1.9744    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.7945   -0.0598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6605    0.4402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7945   -1.0598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5266   -0.0598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9945   -0.0390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6605   -1.5598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5266   -1.0598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9006   -1.5944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6445    1.4817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.1304    0.4644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4366    0.4471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.4446    1.4887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.4022    1.4710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.0635   -1.3698    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9699    0.1309    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5401    2.6295    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9827    1.7966    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8602    0.1631    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.6664    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5405    2.5944    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 11  2  0  0  0  0
  3 22  1  0  0  0  0
  3 34  1  0  0  0  0
  3 35  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  2  0  0  0  0
  5  7  1  0  0  0  0
  5 12  2  0  0  0  0
  6  9  1  0  0  0  0
  6 11  1  0  0  0  0
  7 10  1  0  0  0  0
  7 15  2  0  0  0  0
  8 13  2  0  0  0  0
  8 14  1  0  0  0  0
  9 10  2  0  0  0  0
  9 23  1  0  0  0  0
 10 24  1  0  0  0  0
 11 13  1  0  0  0  0
 12 16  1  0  0  0  0
 12 26  1  0  0  0  0
 13 25  1  0  0  0  0
 14 18  2  0  0  0  0
 14 19  1  0  0  0  0
 15 17  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
 18 20  1  0  0  0  0
 18 30  1  0  0  0  0
 19 21  2  0  0  0  0
 19 31  1  0  0  0  0
 20 22  2  0  0  0  0
 20 32  1  0  0  0  0
 21 22  1  0  0  0  0
 21 33  1  0  0  0  0
M  END

$$$$
D02IEO
  -OEChem-10191522212D

 54 57  0     1  0  0  0  0  0999 V2000
    3.7421    1.9838    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8819    0.4805    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0024    3.9772    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4140    0.4803    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    7.4021   -3.7099    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5320   -1.0612    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.3980   -0.5612    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.6220   -0.5544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6139    0.4872    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.2640   -1.0612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5320   -2.0612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5160    1.0080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3980   -2.5612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2640   -2.0612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2858    0.9702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8819   -2.8396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6220   -2.5681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 25 50  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
M  END

$$$$
D02IIN
  -OEChem-10191522502D

 64 70  0     1  0  0  0  0  0999 V2000
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 22 24  1  0  0  0  0
 22 57  1  0  0  0  0
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 32 63  1  0  0  0  0
 33 64  1  0  0  0  0
M  END

$$$$
D02IJB
  -OEChem-10101305032D

229237  0     1  0  0  0  0  0999 V2000
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122225  1  0  0  0  0
122226  1  0  0  0  0
M  END

$$$$
D02IJM
  -OEChem-10101305032D

 26 27  0     1  0  0  0  0  0999 V2000
    4.9860   -0.8343    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6200    0.5317    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5162    1.1898    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1200   -0.3343    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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  1  4  1  0  0  0  0
  1  8  1  0  0  0  0
  2  6  1  0  0  0  0
  2 25  1  0  0  0  0
  3 13  1  0  0  0  0
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  4  5  1  0  0  0  0
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  4  7  1  6  0  0  0
  5 10  2  0  0  0  0
  5 15  1  0  0  0  0
  6 16  1  0  0  0  0
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  7 18  1  0  0  0  0
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  8  9  2  0  0  0  0
  8 11  1  0  0  0  0
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  9 12  1  0  0  0  0
 10 21  1  0  0  0  0
 11 14  2  0  0  0  0
 11 22  1  0  0  0  0
 12 13  2  0  0  0  0
 12 23  1  0  0  0  0
 13 14  1  0  0  0  0
 14 24  1  0  0  0  0
M  END

$$$$
D02IJW
  -OEChem-10101305022D

 32 33  0     1  0  0  0  0  0999 V2000
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  1  3  1  0  0  0  0
  1  5  1  0  0  0  0
  1  7  1  0  0  0  0
  2 13  2  0  0  0  0
  2 14  1  0  0  0  0
  3  4  1  0  0  0  0
  3  8  1  6  0  0  0
  3 15  1  0  0  0  0
  4  6  1  0  0  0  0
  4 16  1  0  0  0  0
  4 17  1  0  0  0  0
  5  6  1  0  0  0  0
  5 18  1  0  0  0  0
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  7  9  1  0  0  0  0
  7 22  1  0  0  0  0
  7 23  1  0  0  0  0
  8 24  1  0  0  0  0
  8 25  1  0  0  0  0
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  9 10  1  0  0  0  0
  9 27  1  0  0  0  0
  9 28  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 11 13  1  0  0  0  0
 11 29  1  0  0  0  0
 12 14  2  0  0  0  0
 12 30  1  0  0  0  0
 13 31  1  0  0  0  0
 14 32  1  0  0  0  0
M  END

$$$$
D02IMK
  -OEChem-04152110292D

285286  0     1  0  0  0  0  0999 V2000
   12.3968    6.5950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.1288    4.0950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   17.8609    6.5950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   19.1244   -0.4050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.3923   -2.9050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   21.8564   -2.9050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9282   -2.9050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    5.4641   -2.9050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   16.8609    5.0950    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.6647    5.5950    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   19.5929    5.5950    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9327    5.0950    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   17.3923   -1.4050    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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M  END

$$$$
D02IMZ
  -OEChem-10101305022D

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 30 32  2  0  0  0  0
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 31 67  1  0  0  0  0
 32 33  1  0  0  0  0
 32 68  1  0  0  0  0
 33 69  1  0  0  0  0
M  END

$$$$
D02INF
  -OEChem-10191522182D

 68 70  0     1  0  0  0  0  0999 V2000
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   10.5088    2.9201    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1123    3.6130    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   10.0177   -0.0736    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    6.3619   -0.6722    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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 13 42  1  0  0  0  0
 14 18  2  0  0  0  0
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 17 43  1  0  0  0  0
 18 44  1  0  0  0  0
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 23 24  1  0  0  0  0
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 28 67  1  0  0  0  0
 28 68  1  0  0  0  0
M  END

$$$$
D02INJ
  -OEChem-10101305032D

 27 28  0     0  0  0  0  0  0999 V2000
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    4.7026    2.7898    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    4.5981    1.7953    0.0000 C   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
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  1 19  1  0  0  0  0
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  3 11  2  0  0  0  0
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 10 13  2  0  0  0  0
 10 23  1  0  0  0  0
 11 24  1  0  0  0  0
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 13 14  1  0  0  0  0
 13 26  1  0  0  0  0
 14 27  1  0  0  0  0
M  END

$$$$
D02IOC
  -OEChem-10121500122D

 59 61  0     0  0  0  0  0  0999 V2000
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M  END

$$$$
D02IPX
  -OEChem-10191523042D

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M  END

$$$$
D02IQG
  -OEChem-10101305022D

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 14  6  1  1  0  0  0
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  6 45  1  0  0  0  0
  7 29  1  0  0  0  0
  7 58  1  0  0  0  0
  7 59  1  0  0  0  0
  8  9  1  0  0  0  0
  8 15  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 12  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 17  2  0  0  0  0
 12 18  2  0  0  0  0
 13 14  1  0  0  0  0
 14 16  1  0  0  0  0
 14 36  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 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  2  0  0  0  0
 19 23  1  0  0  0  0
 20 21  2  0  0  0  0
 20 42  1  0  0  0  0
 21 43  1  0  0  0  0
 22 25  1  0  0  0  0
 22 27  1  0  0  0  0
 23 26  2  0  0  0  0
 23 28  1  0  0  0  0
 24 29  1  0  0  0  0
 24 46  1  0  0  0  0
 24 47  1  0  0  0  0
 25 30  2  0  0  0  0
 25 48  1  0  0  0  0
 26 30  1  0  0  0  0
 26 49  1  0  0  0  0
 27 50  1  0  0  0  0
 27 51  1  0  0  0  0
 27 52  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
 29 56  1  0  0  0  0
 29 57  1  0  0  0  0
M  END

$$$$
D02IQH
  -OEChem-10101305022D

 22 23  0     0  0  0  0  0  0999 V2000
    3.0000   -1.0173    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -2.0173    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.0173    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0000   -1.0173    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5301   -0.0415    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    7.3942   -0.5448    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8660    0.4827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8660    1.4827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -0.0173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7600   -0.0520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    1.9827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1340    0.4827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7600    2.0173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1340    1.4827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6660    0.4619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6660    1.5035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7528   -0.6720    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    2.6027    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5970    0.1727    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7528    2.6373    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5970    1.7927    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2018    1.8156    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  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
  5  6  3  0  0  0  0
  5 15  1  0  0  0  0
  7  8  2  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 13  1  0  0  0  0
  9 12  2  0  0  0  0
 10 15  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 16  2  0  0  0  0
 13 20  1  0  0  0  0
 14 21  1  0  0  0  0
 15 16  1  0  0  0  0
 16 22  1  0  0  0  0
M  CHG  2   2  -1   5   1
M  END

$$$$
D02IQP
  -OEChem-10101305022D

 27 28  0     0  0  0  0  0  0999 V2000
    4.6783   -0.4387    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7619    1.2320    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783    1.1708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.3660    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.7619   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7619   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2619   -1.3660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2619    0.3660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2619   -1.3660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2619    0.3660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.1340    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
    2.8660   -0.6340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.1340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3445   -0.2879    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6542    0.1106    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1793   -0.7121    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8695   -1.1106    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6793   -1.5781    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3695   -1.9766    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2619   -1.9860    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8819   -1.3660    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2619   -0.7460    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.2540    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -0.4440    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    1.1760    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  8  2  0  0  0  0
  3 10  2  0  0  0  0
  3 12  1  0  0  0  0
  4 12  1  0  0  0  0
  4 15  2  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 16  1  0  0  0  0
  5 17  1  0  0  0  0
  6  8  1  0  0  0  0
  6 18  1  0  0  0  0
  6 19  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
  9 22  1  0  0  0  0
  9 23  1  0  0  0  0
  9 24  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  2  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 27  1  0  0  0  0
M  END

$$$$
D02IRC
  -OEChem-10101305022D

 31 31  0     1  0  0  0  0  0999 V2000
    5.4641   -0.4050    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    3.5950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    2.0950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    2.5950    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.4050    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    1.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    2.0950    0.0000 C   0  0  3  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   -0.9050    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
    7.1962    2.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -2.4050    0.0000 C   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
    5.4641   -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   -1.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5422    0.5124    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9407    1.2027    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7932    1.7850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2520    1.1776    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8535    0.4873    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3860   -0.3224    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9875   -1.0127    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    3.2150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9272    2.2850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -2.0950    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951   -3.7150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -3.7150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -4.5250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    3.9050    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 11  1  0  0  0  0
  2 31  1  0  0  0  0
  3 11  2  0  0  0  0
  4  7  1  0  0  0  0
  4 25  1  0  0  0  0
  4 26  1  0  0  0  0
  5 17  3  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6 18  1  0  0  0  0
  6 19  1  0  0  0  0
  7 11  1  0  0  0  0
  7 20  1  0  0  0  0
  8 21  1  0  0  0  0
  8 22  1  0  0  0  0
  9 10  1  0  0  0  0
  9 23  1  0  0  0  0
  9 24  1  0  0  0  0
 10 12  1  0  0  0  0
 10 13  2  0  0  0  0
 12 14  2  0  0  0  0
 12 17  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 16  2  0  0  0  0
 15 29  1  0  0  0  0
 16 30  1  0  0  0  0
M  END

$$$$
D02ITS
  -OEChem-10191522012D

 57 59  0     1  0  0  0  0  0999 V2000
   10.1755   -3.6307    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.5133    0.0300    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8191    0.3901    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5896    2.3975    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1249    0.7503    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9845    0.9571    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.6755    1.9081    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.1435   -0.3301    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.6298    1.0082    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.0877    2.7172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6755    1.9081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3665    0.9571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1755    0.3693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9781    1.6773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7212    1.0082    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.0270    1.3683    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.4154    0.6481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6723    1.3172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4944    3.6307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0932    2.6126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1755   -0.6307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2839    2.0374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9356    0.6481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3094   -1.1307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0415   -1.1307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3328    1.7284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3094   -2.1307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0415   -2.1307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6787    1.3172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1755   -2.6307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0945   -0.6391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8377    0.0300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7043    2.7820    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4666    2.0590    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6870    2.2247    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1316    0.8166    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4878    0.9534    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2865    0.0416    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8012    1.9236    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0284    3.2292    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4766    2.5478    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1580    1.9960    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0608    3.3785    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7466    4.1971    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9280    3.8829    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7724    2.4191    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9928    2.5848    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7725   -0.8207    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5784   -0.8207    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9236   -0.1616    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2294    0.1986    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7725   -2.4407    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5784   -2.4407    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.5498    1.9236    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.2234   -1.2456    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.4273   -0.1616    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.2060    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 30  1  0  0  0  0
 15  2  1  1  0  0  0
  2 50  1  0  0  0  0
 16  3  1  1  0  0  0
  3 51  1  0  0  0  0
  4 26  1  0  0  0  0
  4 57  1  0  0  0  0
  5 26  2  0  0  0  0
  6  7  1  0  0  0  0
  6 13  1  0  0  0  0
  6 23  1  0  0  0  0
  7 11  2  0  0  0  0
  8 23  2  0  0  0  0
  8 31  1  0  0  0  0
  9 29  2  0  0  0  0
  9 32  1  0  0  0  0
 10 11  1  0  0  0  0
 10 19  1  0  0  0  0
 10 20  1  0  0  0  0
 10 33  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 17  1  0  0  0  0
 13 21  1  0  0  0  0
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 16 22  1  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 39  1  0  0  0  0
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 19 45  1  0  0  0  0
 20 40  1  0  0  0  0
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 21 24  2  0  0  0  0
 21 25  1  0  0  0  0
 22 26  1  0  0  0  0
 22 46  1  0  0  0  0
 22 47  1  0  0  0  0
 23 29  1  0  0  0  0
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 24 48  1  0  0  0  0
 25 28  2  0  0  0  0
 25 49  1  0  0  0  0
 27 30  2  0  0  0  0
 27 52  1  0  0  0  0
 28 30  1  0  0  0  0
 28 53  1  0  0  0  0
 29 54  1  0  0  0  0
 31 32  2  0  0  0  0
 31 55  1  0  0  0  0
 32 56  1  0  0  0  0
M  END

$$$$
D02IUX
  -OEChem-10191522222D

 87 87  0     1  0  0  0  0  0999 V2000
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 31 70  1  0  0  0  0
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 35 40  1  0  0  0  0
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 35 78  1  0  0  0  0
 36 38  1  0  0  0  0
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 37 80  1  0  0  0  0
 38 41  2  0  0  0  0
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 39 83  1  0  0  0  0
 40 84  1  0  0  0  0
 40 85  1  0  0  0  0
 40 86  1  0  0  0  0
M  END

$$$$
D02IVJ
  -OEChem-10101305022D

 23 22  0     0  0  0  0  0  0999 V2000
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  1 23  1  0  0  0  0
  2  7  1  0  0  0  0
  2 13  1  0  0  0  0
  3 12  1  0  0  0  0
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  5 22  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  2  0  0  0  0
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  7 14  1  0  0  0  0
  7 15  1  0  0  0  0
  8 10  1  0  0  0  0
  8 16  1  0  0  0  0
  9 11  2  0  0  0  0
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 10 12  2  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
M  END

$$$$
D02IVR
  -OEChem-10191522322D

 68 69  0     1  0  0  0  0  0999 V2000
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 10  1  1  1  0  0  0
  1 50  1  0  0  0  0
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 23  5  1  6  0  0  0
  5 63  1  0  0  0  0
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  7 11  1  1  0  0  0
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  7 31  1  0  0  0  0
  8 10  1  0  0  0  0
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  8 32  1  0  0  0  0
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  9 17  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
 11 17  1  0  0  0  0
 11 35  1  0  0  0  0
 11 36  1  0  0  0  0
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 12 37  1  0  0  0  0
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 13 39  1  0  0  0  0
 13 40  1  0  0  0  0
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 16 22  1  0  0  0  0
 16 43  1  0  0  0  0
 18 46  1  0  0  0  0
 18 47  1  0  0  0  0
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 20 21  2  0  0  0  0
 20 48  1  0  0  0  0
 21 23  1  0  0  0  0
 21 49  1  0  0  0  0
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 23 51  1  0  0  0  0
 24 25  1  0  0  0  0
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 24 53  1  0  0  0  0
 25 26  1  0  0  0  0
 25 27  1  6  0  0  0
 25 54  1  0  0  0  0
 26 28  1  0  0  0  0
 26 55  1  0  0  0  0
 26 56  1  0  0  0  0
 27 57  1  0  0  0  0
 27 58  1  0  0  0  0
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 28 29  1  0  0  0  0
 28 60  1  0  0  0  0
 28 61  1  0  0  0  0
 29 30  1  0  0  0  0
 29 64  1  0  0  0  0
 29 65  1  0  0  0  0
 30 66  1  0  0  0  0
 30 67  1  0  0  0  0
 30 68  1  0  0  0  0
M  END

$$$$
D02IVU
  -OEChem-10101305022D

 65 69  0     1  0  0  0  0  0999 V2000
    9.4878    1.5372    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.5422    0.2064    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2968   -1.0682    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3328    1.8034    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    5.5081   -0.2410    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    2.0000    0.7658    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.9979    0.6539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4878    1.5256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5079   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.5948   -0.1136    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.5761    1.5043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.1068   -1.1602    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4980   -1.8561    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6540    1.8484    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8101    1.8484    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5173   -1.9026    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1306    2.2408    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3335    2.2408    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2131   -2.2763    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0113   -2.2794    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100    1.3028    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    1.0758    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1 22  1  0  0  0  0
  1 25  1  0  0  0  0
  2 27  1  0  0  0  0
  2 29  1  0  0  0  0
 27  3  1  1  0  0  0
  3 65  1  0  0  0  0
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  5  6  1  0  0  0  0
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  5  8  1  0  0  0  0
  5  9  1  0  0  0  0
  6  7  1  0  0  0  0
  6 11  1  0  0  0  0
  6 16  1  1  0  0  0
  7 30  1  0  0  0  0
  7 31  1  0  0  0  0
  8 10  1  0  0  0  0
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  8 32  1  1  0  0  0
  9 15  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 17  1  0  0  0  0
 10 18  1  6  0  0  0
 11 14  1  0  0  0  0
 11 35  1  0  0  0  0
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 13 15  1  0  0  0  0
 13 19  1  1  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 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 20  1  0  0  0  0
 17 47  1  0  0  0  0
 17 48  1  0  0  0  0
 18 49  1  0  0  0  0
 18 50  1  0  0  0  0
 18 51  1  0  0  0  0
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 19 53  1  0  0  0  0
 19 54  1  0  0  0  0
 20 21  1  0  0  0  0
 20 55  1  0  0  0  0
 20 56  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  2  0  0  0  0
 22 57  1  0  0  0  0
 22 58  1  0  0  0  0
 23 24  1  0  0  0  0
 23 59  1  0  0  0  0
 24 25  1  0  0  0  0
 24 60  1  0  0  0  0
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 25 26  1  1  0  0  0
 25 62  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  2  0  0  0  0
 27 63  1  0  0  0  0
 28 29  1  0  0  0  0
 28 64  1  0  0  0  0
M  END

$$$$
D02IWH
  -OEChem-04152110212D

260261  0     1  0  0  0  0  0999 V2000
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M  END

$$$$
D02IXC
  -OEChem-10101305022D

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M  END

$$$$
D02IYE
  -OEChem-10101305022D

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M  END

$$$$
D02IYN
  -OEChem-10101305032D

 75 78  0     1  0  0  0  0  0999 V2000
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   10.2769    0.9320    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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   11.9004    1.7138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5239    0.9320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3014   -0.0429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   16.5966   -4.4768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.8385    0.4936    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   10.7898   -1.3692    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1884   -2.0594    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8803    0.7000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7295   -3.2868    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.1325   -0.8568    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   14.5354   -1.6668    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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 10  8  1  1  0  0  0
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  8 54  1  0  0  0  0
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  9 32  1  0  0  0  0
  9 60  1  0  0  0  0
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 10 43  1  0  0  0  0
 11 12  1  0  0  0  0
 11 44  1  0  0  0  0
 11 45  1  0  0  0  0
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 13 14  1  0  0  0  0
 13 48  1  0  0  0  0
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 14 51  1  0  0  0  0
 16 17  1  0  0  0  0
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 16 53  1  0  0  0  0
 17 19  2  0  0  0  0
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 20 23  2  0  0  0  0
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 22 57  1  0  0  0  0
 23 24  1  0  0  0  0
 23 58  1  0  0  0  0
 24 26  1  0  0  0  0
 25 27  1  0  0  0  0
 25 59  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 31  1  0  0  0  0
 28 36  1  0  0  0  0
 28 61  1  0  0  0  0
 29 37  2  0  0  0  0
 29 62  1  0  0  0  0
 30 34  1  0  0  0  0
 30 63  1  0  0  0  0
 31 35  2  0  0  0  0
 31 64  1  0  0  0  0
 32 39  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 41  1  0  0  0  0
 35 65  1  0  0  0  0
 36 40  2  0  0  0  0
 36 66  1  0  0  0  0
 37 40  1  0  0  0  0
 37 67  1  0  0  0  0
 38 42  1  0  0  0  0
 38 68  1  0  0  0  0
 38 69  1  0  0  0  0
 39 70  1  0  0  0  0
 39 71  1  0  0  0  0
 39 72  1  0  0  0  0
 40 73  1  0  0  0  0
 41 74  1  0  0  0  0
M  END

$$$$
D02JCM
  -OEChem-10191522272D

 48 51  0     1  0  0  0  0  0999 V2000
    7.6726    1.6702    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1346    2.1746    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4164    3.9324    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3972    2.8482    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4103    0.4123    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.3925    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4103   -1.1972    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.6075    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.8925    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7210    1.3628    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    2.0000   -2.8925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7320    0.1075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1 10  1  0  0  0  0
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 11  2  1  6  0  0  0
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 12  3  1  6  0  0  0
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 10  5  1  1  0  0  0
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 16 32  1  0  0  0  0
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 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 24 44  1  0  0  0  0
 25 48  1  0  0  0  0
M  END

$$$$
D02JEZ
  -OEChem-10101305032D

 18 19  0     0  0  0  0  0  0999 V2000
    6.0290   -1.0347    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
    7.7991   -1.0241    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
    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
    6.0290    1.0347    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
    6.9350    0.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9350   -0.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  5  1  0  0  0  0
  1 12  1  0  0  0  0
  2  9  1  0  0  0  0
  2 18  1  0  0  0  0
  3 12  2  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  4  8  1  0  0  0  0
  5  7  1  0  0  0  0
  6 10  2  0  0  0  0
  6 13  1  0  0  0  0
  7  9  2  0  0  0  0
  7 14  1  0  0  0  0
  8 11  2  0  0  0  0
  8 15  1  0  0  0  0
  9 10  1  0  0  0  0
 10 16  1  0  0  0  0
 11 12  1  0  0  0  0
 11 17  1  0  0  0  0
M  END

$$$$
D02JFD
  -OEChem-10191522412D

 49 51  0     0  0  0  0  0  0999 V2000
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  3  5  2  0  0  0  0
  3  6  2  0  0  0  0
  3 10  1  0  0  0  0
  3 18  1  0  0  0  0
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 28 47  1  0  0  0  0
 28 48  1  0  0  0  0
 28 49  1  0  0  0  0
M  END

$$$$
D02JGZ
  -OEChem-10101305022D

160164  0     1  0  0  0  0  0999 V2000
    7.5300    3.0378    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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 74110  1  0  0  0  0
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 80116  1  0  0  0  0
 81 86  1  0  0  0  0
 81117  1  0  0  0  0
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 82118  1  0  0  0  0
 83119  1  0  0  0  0
 83120  1  0  0  0  0
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 86123  1  0  0  0  0
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 88125  1  0  0  0  0
 89 94  1  1  0  0  0
 89126  1  0  0  0  0
 90127  1  0  0  0  0
 92128  1  0  0  0  0
 92129  1  0  0  0  0
 94130  1  0  0  0  0
 94131  1  0  0  0  0
 95132  1  0  0  0  0
 95133  1  0  0  0  0
 95134  1  0  0  0  0
 96135  1  0  0  0  0
 96136  1  0  0  0  0
 96137  1  0  0  0  0
 97138  1  0  0  0  0
 97139  1  0  0  0  0
 97140  1  0  0  0  0
 98143  1  0  0  0  0
 98144  1  0  0  0  0
 98145  1  0  0  0  0
 99146  1  0  0  0  0
 99147  1  0  0  0  0
 99148  1  0  0  0  0
100149  1  0  0  0  0
100150  1  0  0  0  0
100151  1  0  0  0  0
M  END

$$$$
D02JIL
  -OEChem-10101305022D

 31 33  0     0  0  0  0  0  0999 V2000
    6.2619   -0.6970    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7619   -1.5630    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    9.2619   -2.4291    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783    1.8398    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2619    1.0350    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783    0.2303    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.7619   -1.5630    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    3.7320    1.5350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.5350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2619    1.0350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7619    0.1690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    2.0350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.0350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7619    0.1690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2619   -0.6970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.5350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.5350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2619    1.0350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2619   -0.6970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2619    1.0350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7619    0.1690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8709    2.4291    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5719    1.5720    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    2.6550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    1.4631    1.8450    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    9.5719    1.5720    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3819    0.1690    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
  3  7  2  0  0  0  0
  4  8  1  0  0  0  0
  4 10  1  0  0  0  0
  4 22  1  0  0  0  0
  5 10  1  0  0  0  0
  5 14  1  0  0  0  0
  5 23  1  0  0  0  0
  6  9  1  0  0  0  0
  6 10  2  0  0  0  0
  7 19  1  0  0  0  0
  8  9  1  0  0  0  0
  8 12  2  0  0  0  0
  9 13  2  0  0  0  0
 11 14  1  0  0  0  0
 11 15  2  0  0  0  0
 11 18  1  0  0  0  0
 12 16  1  0  0  0  0
 12 24  1  0  0  0  0
 13 17  1  0  0  0  0
 13 25  1  0  0  0  0
 15 19  1  0  0  0  0
 15 26  1  0  0  0  0
 16 17  2  0  0  0  0
 16 27  1  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 21  2  0  0  0  0
 20 21  1  0  0  0  0
 20 30  1  0  0  0  0
 21 31  1  0  0  0  0
M  CHG  2   2  -1   7   1
M  END

$$$$
D02JJU
  -OEChem-04152110232D

 32 35  0     0  0  0  0  0  0999 V2000
    4.7871    0.8528    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9570    2.4718    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6200   -2.4823    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5918   -0.5411    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.5609    0.9477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.5609    1.9477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.6200   -0.7503    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.1200   -1.6163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0930    1.9685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1200    0.1158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0930    0.9268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.6200   -0.7503    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4269   -0.1723    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.4300   -2.1532    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8100    0.6527    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6287    0.6148    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.7503    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4952    2.1639    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.4823    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 17  1  0  0  0  0
  2 31  1  0  0  0  0
  3 20  1  0  0  0  0
  3 32  1  0  0  0  0
  4  9  2  0  0  0  0
  4 12  1  0  0  0  0
  5  8  2  0  0  0  0
  5  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  6 14  1  0  0  0  0
  7 11  1  0  0  0  0
  7 15  1  0  0  0  0
  8 22  1  0  0  0  0
 10 11  2  0  0  0  0
 10 23  1  0  0  0  0
 11 24  1  0  0  0  0
 12 13  2  0  0  0  0
 12 16  1  0  0  0  0
 13 18  1  0  0  0  0
 14 19  2  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 20  2  0  0  0  0
 16 27  1  0  0  0  0
 17 19  1  0  0  0  0
 18 21  2  0  0  0  0
 18 28  1  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
M  END

$$$$
D02JJX
  -OEChem-10191522502D

 38 39  0     1  0  0  0  0  0999 V2000
    2.0000   -2.1550    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -4.1550    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -5.1550    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.1550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    2.3450    0.0000 O   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
    9.7942    3.3450    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
    7.1962    3.8450    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    3.3450    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.1962    1.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.3450    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
    5.4641    0.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.9282    3.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.6592    3.5350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    9.4651    5.1550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 21  1  0  0  0  0
  2 24  1  0  0  0  0
  3 25  1  0  0  0  0
  4 14  1  0  0  0  0
  4 20  1  0  0  0  0
  5 12  2  0  0  0  0
  6 17  1  0  0  0  0
  6 38  1  0  0  0  0
  7 17  2  0  0  0  0
  8 12  1  0  0  0  0
  8 13  1  0  0  0  0
  8 29  1  0  0  0  0
 11  9  1  6  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 12  1  0  0  0  0
 10 26  1  0  0  0  0
 10 27  1  0  0  0  0
 11 17  1  0  0  0  0
 11 28  1  0  0  0  0
 13 15  2  0  0  0  0
 13 16  1  0  0  0  0
 14 18  2  0  0  0  0
 14 19  1  0  0  0  0
 15 18  1  0  0  0  0
 15 30  1  0  0  0  0
 16 19  2  0  0  0  0
 16 31  1  0  0  0  0
 18 32  1  0  0  0  0
 19 33  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  2  0  0  0  0
 21 23  2  0  0  0  0
 22 24  1  0  0  0  0
 22 36  1  0  0  0  0
 23 25  1  0  0  0  0
 23 37  1  0  0  0  0
 24 25  2  0  0  0  0
M  END

$$$$
D02JMR
  -OEChem-10101305022D

 53 57  0     1  0  0  0  0  0999 V2000
    2.0000   -0.1497    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   11.7100    0.8919    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.0559   -0.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.0597    1.9756    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6622    3.3934    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4414   -0.6734    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9857   -0.8687    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.9857   -2.4782    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.1734   -0.6734    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.3074   -2.1734    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.1734   -3.6734    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7684   -2.3714    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.2479    0.3892    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.2963    0.0818    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   13.2497    1.3892    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.2991    1.6999    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.9918    2.6514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0395   -1.1734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5693   -1.6734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0395   -2.1734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1734   -2.6734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3074   -1.1734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7093   -0.6734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8433   -1.1734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5754   -1.1734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9355   -0.7683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2677   -1.5126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7402   -2.1622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6249    0.1822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2892   -1.3064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6464    0.3884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9785   -0.3559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8008    0.6697    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.7340   -0.3573    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.1537    2.0017    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.6869    1.7979    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.6109    3.1407    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4438    2.3613    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.6228    0.0512    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.6257    1.7224    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.1893   -1.6734    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.4716    3.9834    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1079   -0.1985    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3108   -0.1985    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    7.9739   -1.6484    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    9.6365   -3.9834    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7104   -3.9834    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8751   -1.7679    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4537    0.9778    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 32  1  0  0  0  0
  2 14  1  0  0  0  0
  2 16  1  0  0  0  0
 13  3  1  1  0  0  0
  3 39  1  0  0  0  0
 15  4  1  1  0  0  0
  4 40  1  0  0  0  0
  5 17  1  0  0  0  0
  5 42  1  0  0  0  0
  6 22  1  0  0  0  0
  6 25  1  0  0  0  0
 14  7  1  6  0  0  0
  7 18  1  0  0  0  0
  7 19  1  0  0  0  0
  8 19  2  0  0  0  0
  8 20  1  0  0  0  0
  9 18  1  0  0  0  0
  9 22  2  0  0  0  0
 10 21  2  0  0  0  0
 10 22  1  0  0  0  0
 11 21  1  0  0  0  0
 11 48  1  0  0  0  0
 11 49  1  0  0  0  0
 12 27  1  0  0  0  0
 12 28  1  0  0  0  0
 12 50  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
 14 34  1  0  0  0  0
 15 16  1  0  0  0  0
 15 35  1  0  0  0  0
 16 17  1  6  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 20  2  0  0  0  0
 19 41  1  0  0  0  0
 20 21  1  0  0  0  0
 23 24  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 28  2  0  0  0  0
 25 45  1  0  0  0  0
 25 46  1  0  0  0  0
 26 27  2  0  0  0  0
 26 29  1  0  0  0  0
 27 30  1  0  0  0  0
 28 47  1  0  0  0  0
 29 31  2  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 32  1  0  0  0  0
 31 53  1  0  0  0  0
M  END

$$$$
D02JOZ
  -OEChem-10101305022D

 33 35  0     0  0  0  0  0  0999 V2000
    6.0010   -2.2379    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   10.3991   -0.7654    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    9.5273   -2.2621    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.7621    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    1.7621    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    0.7621    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.5312   -1.2621    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    4.2690    1.7621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    0.2621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    2.2621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    0.7621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    0.2621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -0.7379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    0.2621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0010   -1.2379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7610   -1.2726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.3249    0.1795    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.0721    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    7.7538   -1.8926    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7538    1.4167    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2028    0.5950    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 16  1  0  0  0  0
  2  7  1  0  0  0  0
  3  7  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 10  1  0  0  0  0
  5 11  1  0  0  0  0
  5 29  1  0  0  0  0
  6 12  2  0  0  0  0
  6 14  1  0  0  0  0
  7 19  1  0  0  0  0
  8 10  1  0  0  0  0
  8 21  1  0  0  0  0
  8 22  1  0  0  0  0
  9 11  1  0  0  0  0
  9 23  1  0  0  0  0
  9 24  1  0  0  0  0
 10 25  1  0  0  0  0
 10 26  1  0  0  0  0
 11 27  1  0  0  0  0
 11 28  1  0  0  0  0
 12 13  1  0  0  0  0
 13 16  2  0  0  0  0
 13 30  1  0  0  0  0
 14 15  2  0  0  0  0
 14 18  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 17 19  2  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
 19 20  1  0  0  0  0
 20 33  1  0  0  0  0
M  CHG  2   2  -1   7   1
M  END

$$$$
D02JPD
  -OEChem-10101305022D

 54 58  0     0  0  0  0  0  0999 V2000
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    4.6783   -3.6307    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    5.9674   -0.8645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.2781    0.0861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783   -2.0212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.3259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.9209    1.7809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.3259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.2531    2.5252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.8259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0000   -2.3259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.3259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7619   -3.6920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.2619   -2.8259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9174    4.0138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.6112    1.2438    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    6.8250   -0.2060    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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M  END

$$$$
D02JQP
  -OEChem-10101305022D

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M  END

$$$$
D02JRB
  -OEChem-10101305022D

 43 46  0     1  0  0  0  0  0999 V2000
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 21 40  1  0  0  0  0
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 22 41  1  0  0  0  0
M  END

$$$$
D02JRK
  -OEChem-10101305022D

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  8 29  1  0  0  0  0
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 15 38  1  0  0  0  0
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 16 18  1  0  0  0  0
 16 40  1  0  0  0  0
 16 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 20  2  0  0  0  0
 19 21  1  0  0  0  0
 20 22  1  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 24  2  0  0  0  0
 22 47  1  0  0  0  0
 23 24  1  0  0  0  0
 23 48  1  0  0  0  0
 24 49  1  0  0  0  0
M  END

$$$$
D02JUJ
  -OEChem-10101305022D

 32 34  0     0  0  0  0  0  0999 V2000
   10.3972    1.7568    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    0.2327    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -1.7673    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    0.2327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    1.2327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    0.2327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0010    1.2327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -0.2673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.0688   -0.1002    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9572    0.7220    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8033    0.9522    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1 13  1  0  0  0  0
  1 19  1  0  0  0  0
  2 17  1  0  0  0  0
  2 32  1  0  0  0  0
  3 16  2  0  0  0  0
  3 18  1  0  0  0  0
  4  5  2  0  0  0  0
  4  7  1  0  0  0  0
  4 12  1  0  0  0  0
  5  8  1  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 10  1  0  0  0  0
  7 20  1  0  0  0  0
  8  9  2  0  0  0  0
  8 21  1  0  0  0  0
  9 22  1  0  0  0  0
 10 15  2  0  0  0  0
 10 16  1  0  0  0  0
 11 13  2  0  0  0  0
 11 23  1  0  0  0  0
 12 14  2  0  0  0  0
 12 24  1  0  0  0  0
 13 14  1  0  0  0  0
 14 25  1  0  0  0  0
 15 17  1  0  0  0  0
 15 26  1  0  0  0  0
 16 27  1  0  0  0  0
 17 18  2  0  0  0  0
 18 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
M  END

$$$$
D02JUP
  -OEChem-10101305022D

 36 38  0     1  0  0  0  0  0999 V2000
    5.3548    3.2126    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.4026    0.7111    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7485   -0.3808    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7523    1.7948    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8660   -0.8542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8660   -3.8542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9889   -0.0990    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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  1 13  1  0  0  0  0
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 10  3  1  1  0  0  0
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 11  4  1  1  0  0  0
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  9  5  1  6  0  0  0
  5 14  1  0  0  0  0
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  6 14  2  0  0  0  0
  6 20  1  0  0  0  0
  7 18  1  0  0  0  0
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  8 18  1  0  0  0  0
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 10 11  1  0  0  0  0
 10 22  1  0  0  0  0
 11 12  1  0  0  0  0
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 12 13  1  6  0  0  0
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 13 25  1  0  0  0  0
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 14 16  1  0  0  0  0
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 17 30  1  0  0  0  0
 19 31  1  0  0  0  0
 19 32  1  0  0  0  0
 19 33  1  0  0  0  0
 20 34  1  0  0  0  0
M  END

$$$$
D02JVA
  -OEChem-10101305022D

132136  0     1  0  0  0  0  0999 V2000
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   14.6512   -1.2496    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.0797    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   14.6512    2.0596    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.1002   -0.4279    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   12.5693    7.2150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4955    7.2150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.4354    5.7150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.8984    4.7850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 32  2  0  0  0  0
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 20129  1  0  0  0  0
 20130  1  0  0  0  0
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 31 45  1  0  0  0  0
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 35 38  1  0  0  0  0
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 36 44  1  0  0  0  0
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 38 43  1  0  0  0  0
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 40 47  1  0  0  0  0
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 47102  1  0  0  0  0
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 49 58  2  0  0  0  0
 50104  1  0  0  0  0
 50105  1  0  0  0  0
 51106  1  0  0  0  0
 51107  1  0  0  0  0
 53 56  1  0  0  0  0
 53109  1  0  0  0  0
 54 60  2  0  0  0  0
 54110  1  0  0  0  0
 55 61  1  0  0  0  0
 55111  1  0  0  0  0
 56 59  1  0  0  0  0
 56 63  2  0  0  0  0
 57112  1  0  0  0  0
 57113  1  0  0  0  0
 57114  1  0  0  0  0
 58 62  1  0  0  0  0
 58115  1  0  0  0  0
 59 60  1  0  0  0  0
 59 64  2  0  0  0  0
 60116  1  0  0  0  0
 61 62  2  0  0  0  0
 61117  1  0  0  0  0
 62118  1  0  0  0  0
 63 65  1  0  0  0  0
 63119  1  0  0  0  0
 64 66  1  0  0  0  0
 64122  1  0  0  0  0
 65 66  2  0  0  0  0
 65123  1  0  0  0  0
 66124  1  0  0  0  0
M  END

$$$$
D02JVG
  -OEChem-10101305022D

 30 30  0     1  0  0  0  0  0999 V2000
    2.8660   -2.1550    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    3.3450    0.0000 N   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  3  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
    4.5981    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
    3.7320    0.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.6550    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
    2.0000   -2.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6540    2.4276    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2554    1.7373    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    2.6550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2881    1.3081    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    1.5350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9081    2.3819    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
    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
    3.1951    3.6550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -0.9650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -0.9650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7880   -2.0724    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3894   -2.7627    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3800   -3.6550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -4.2750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6200   -3.6550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  1 12  1  0  0  0  0
  2  4  1  0  0  0  0
  2 22  1  0  0  0  0
  2 23  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3 14  1  0  0  0  0
  3 15  1  0  0  0  0
  4  6  1  0  0  0  0
  4 16  1  0  0  0  0
  5  7  2  0  0  0  0
  5  8  1  0  0  0  0
  6 17  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
  7 20  1  0  0  0  0
  8 11  2  0  0  0  0
  8 21  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 10 24  1  0  0  0  0
 11 25  1  0  0  0  0
 12 13  1  0  0  0  0
 12 26  1  0  0  0  0
 12 27  1  0  0  0  0
 13 28  1  0  0  0  0
 13 29  1  0  0  0  0
 13 30  1  0  0  0  0
M  END

$$$$
D02JVI
  -OEChem-10101305022D

 41 43  0     0  0  0  0  0  0999 V2000
    4.6783    2.0368    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7619    2.0981    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783    0.4273    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.2619   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2619   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7619    0.3660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7619   -1.3660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7619    0.3660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7619   -1.3660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2619    1.2320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2619    1.2320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2619   -2.2320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2619   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.7320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.7321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2619   -2.2320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2619   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7619   -1.3660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0000    1.7320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.7321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6793   -0.7121    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3695   -1.1106    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8445   -0.2879    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1542    0.1106    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    6.1793    0.1540    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9519   -2.7690    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9519    0.0369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.5719   -2.7690    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.5719    0.0369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.3819   -1.3660    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 14  1  0  0  0  0
  2 10  2  0  0  0  0
  3 11  2  0  0  0  0
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  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4 23  1  0  0  0  0
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  6  8  1  0  0  0  0
  6 27  1  0  0  0  0
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  7  9  1  0  0  0  0
  7 29  1  0  0  0  0
  7 30  1  0  0  0  0
  8 10  1  0  0  0  0
  8 31  1  0  0  0  0
  8 32  1  0  0  0  0
  9 12  2  0  0  0  0
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 10 11  1  0  0  0  0
 12 16  1  0  0  0  0
 12 33  1  0  0  0  0
 13 17  2  0  0  0  0
 13 34  1  0  0  0  0
 14 15  1  0  0  0  0
 14 19  2  0  0  0  0
 15 20  2  0  0  0  0
 16 18  2  0  0  0  0
 16 35  1  0  0  0  0
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 17 36  1  0  0  0  0
 18 37  1  0  0  0  0
 19 21  1  0  0  0  0
 19 38  1  0  0  0  0
 20 22  1  0  0  0  0
 20 39  1  0  0  0  0
 21 22  2  0  0  0  0
 21 40  1  0  0  0  0
 22 41  1  0  0  0  0
M  END

$$$$
D02JWD
  -OEChem-10191521292D

 53 52  0     1  0  0  0  0  0999 V2000
    9.7942    2.0950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.9050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.4050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    5.4641    0.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2 53  1  0  0  0  0
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  4  5  1  0  0  0  0
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  4 22  1  0  0  0  0
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  5  7  1  0  0  0  0
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  6  8  1  0  0  0  0
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  7 29  1  0  0  0  0
  8 15  1  0  0  0  0
  8 30  1  0  0  0  0
  8 31  1  0  0  0  0
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  9 32  1  0  0  0  0
  9 33  1  0  0  0  0
 10 13  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
 11 36  1  0  0  0  0
 11 37  1  0  0  0  0
 12 16  1  0  0  0  0
 12 38  1  0  0  0  0
 12 39  1  0  0  0  0
 13 17  1  0  0  0  0
 13 40  1  0  0  0  0
 14 18  1  0  0  0  0
 14 41  1  0  0  0  0
 14 42  1  0  0  0  0
 15 21  1  0  0  0  0
 15 43  1  0  0  0  0
 15 44  1  0  0  0  0
 16 19  2  0  0  0  0
 16 45  1  0  0  0  0
 17 20  2  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
 18 49  1  0  0  0  0
 19 20  1  0  0  0  0
 19 50  1  0  0  0  0
 20 51  1  0  0  0  0
M  END

$$$$
D02JWY
  -OEChem-10101305032D

 28 28  0     0  0  0  0  0  0999 V2000
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 13 22  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
M  END

$$$$
D02JXK
  -OEChem-10101305022D

105108  0     1  0  0  0  0  0999 V2000
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 42102  1  0  0  0  0
 43103  1  0  0  0  0
M  END

$$$$
D02JXQ
  -OEChem-10191521342D

 76 79  0     1  0  0  0  0  0999 V2000
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 30 71  1  0  0  0  0
 30 72  1  0  0  0  0
 30 73  1  0  0  0  0
M  END

$$$$
D02KDH
  -OEChem-10101305022D

 26 26  0     0  0  0  0  0  0999 V2000
    6.3301    0.8450    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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 15 26  1  0  0  0  0
M  END

$$$$
D02KGZ
  -OEChem-10101305022D

 29 30  0     0  0  0  0  0  0999 V2000
    6.0010    2.7927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    1.2927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    2.7927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -0.2073    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -2.2073    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    1.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    1.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    2.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    0.7927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -0.7073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.7927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -1.7073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7610    0.7580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    2.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7610    2.8273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6671    1.2718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6671    2.3135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    0.1727    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1909   -0.1247    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7924   -0.8150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8059   -0.5173    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6150   -2.2899    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0135   -1.5997    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7538    0.1380    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7538    3.4473    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.5369   -2.8273    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.8973    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
  1 14  1  0  0  0  0
  2 11  2  0  0  0  0
  3 14  2  0  0  0  0
  4 10  1  0  0  0  0
  4 11  1  0  0  0  0
  4 21  1  0  0  0  0
  5 12  1  0  0  0  0
  5 28  1  0  0  0  0
  5 29  1  0  0  0  0
  6  8  1  0  0  0  0
  6  9  1  0  0  0  0
  6 13  2  0  0  0  0
  7  9  2  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
  9 18  1  0  0  0  0
 10 12  1  0  0  0  0
 10 19  1  0  0  0  0
 10 20  1  0  0  0  0
 12 22  1  0  0  0  0
 12 23  1  0  0  0  0
 13 16  1  0  0  0  0
 13 24  1  0  0  0  0
 15 17  1  0  0  0  0
 15 25  1  0  0  0  0
 16 17  2  0  0  0  0
 16 26  1  0  0  0  0
 17 27  1  0  0  0  0
M  END

$$$$
D02KHF
  -OEChem-10101305022D

 29 30  0     0  0  0  0  0  0999 V2000
    7.1962    0.2500    0.0000 N   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
    2.8660   -0.2500    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
    2.0000   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.2500    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
    4.5981   -0.2500    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
    6.3301    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    1.7500    0.0000 C   0  0  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
    8.0622    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.1300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2646    0.2249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4675    0.2249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9441   -2.3326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3426   -1.6423    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7880   -0.1674    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3894   -0.8577    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4675   -2.7250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2646   -2.7250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3894   -1.6423    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7880   -2.3326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7932    2.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    2.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991    0.4400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991    2.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
  1 13  2  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  8  1  0  0  0  0
  2 15  1  0  0  0  0
  3  5  1  0  0  0  0
  3 16  1  0  0  0  0
  3 17  1  0  0  0  0
  4  6  1  0  0  0  0
  4 18  1  0  0  0  0
  4 19  1  0  0  0  0
  5  7  1  0  0  0  0
  5 20  1  0  0  0  0
  5 21  1  0  0  0  0
  6  7  1  0  0  0  0
  6 22  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  9  3  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 11 26  1  0  0  0  0
 12 14  2  0  0  0  0
 12 27  1  0  0  0  0
 13 14  1  0  0  0  0
 13 28  1  0  0  0  0
 14 29  1  0  0  0  0
M  END

$$$$
D02KIM
  -OEChem-10191521572D

 56 60  0     1  0  0  0  0  0999 V2000
    2.8660   -3.0085    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.2030    5.1425    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.9915    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0690    5.6425    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3369    4.6425    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7030    4.2764    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.5085    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.0085    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.0085    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -7.0085    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4396    3.2938    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.1808    2.3279    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.7030    6.0085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2715    2.5350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0127    1.5691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8366    2.4860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6456    1.0848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7030    7.0085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8369    6.5085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.4915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.0085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.5085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.5085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.0085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.5085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -3.0085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.5085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -3.5085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -4.5085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -4.5085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -5.0085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -6.0085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9608    1.5069    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6596    4.1149    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2646    5.5701    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8628    2.3486    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4836    3.1176    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8006    0.9865    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6040    1.3826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7343    3.0975    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2169    2.4671    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3079    0.5648    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1064    0.6699    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4384    6.9834    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4384    6.0336    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3135    7.1162    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4909    7.5911    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2121    1.8292    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9081   -0.5454    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0010   -4.8185    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 27  1  0  0  0  0
  2  4  2  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  2 13  1  0  0  0  0
  3 20  1  0  0  0  0
  3 21  1  0  0  0  0
  6 11  1  0  0  0  0
  6 12  1  0  0  0  0
  7 21  2  0  0  0  0
  7 25  1  0  0  0  0
  8 23  1  0  0  0  0
  8 25  2  0  0  0  0
  9 23  1  0  0  0  0
  9 26  1  0  0  0  0
  9 53  1  0  0  0  0
 10 32  3  0  0  0  0
 11 14  1  0  0  0  0
 11 16  1  0  0  0  0
 11 34  1  6  0  0  0
 12 15  1  0  0  0  0
 12 17  1  0  0  0  0
 12 33  1  6  0  0  0
 13 18  1  0  0  0  0
 13 19  1  0  0  0  0
 13 35  1  0  0  0  0
 14 15  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 20  1  0  0  0  0
 16 40  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
 17 43  1  0  0  0  0
 18 19  1  0  0  0  0
 18 46  1  0  0  0  0
 18 47  1  0  0  0  0
 19 44  1  0  0  0  0
 19 45  1  0  0  0  0
 20 48  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
 24 49  1  0  0  0  0
 24 50  1  0  0  0  0
 24 51  1  0  0  0  0
 25 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
 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 32  1  0  0  0  0
M  END

$$$$
D02KIS
  -OEChem-10101305032D

 24 25  0     1  0  0  0  0  0999 V2000
    2.8660    0.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.5000    0.0000 C   0  0  2  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    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
    2.0000   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4920   -1.0347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4920    1.0347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981   -0.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981    0.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -0.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3335   -1.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1306   -1.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1306    1.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3335    1.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291    0.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -0.4631    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -1.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   -1.5369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4848   -1.6546    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4848    1.6546    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9338   -0.8329    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9338    0.8329    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 17  1  0  0  0  0
  2  3  1  0  0  0  0
  2  7  1  6  0  0  0
  2 12  1  0  0  0  0
  3  4  1  0  0  0  0
  3 13  1  0  0  0  0
  3 14  1  0  0  0  0
  4  6  1  0  0  0  0
  4  8  2  0  0  0  0
  5  6  1  0  0  0  0
  5 15  1  0  0  0  0
  5 16  1  0  0  0  0
  6  9  2  0  0  0  0
  7 18  1  0  0  0  0
  7 19  1  0  0  0  0
  7 20  1  0  0  0  0
  8 10  1  0  0  0  0
  8 21  1  0  0  0  0
  9 11  1  0  0  0  0
  9 22  1  0  0  0  0
 10 11  2  0  0  0  0
 10 23  1  0  0  0  0
 11 24  1  0  0  0  0
M  END

$$$$
D02KJI
  -OEChem-10101305022D

 19 19  0     0  0  0  0  0  0999 V2000
    5.4641    2.0950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 10 16  1  0  0  0  0
M  END

$$$$
D02KKL
  -OEChem-10101305022D

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 21 33  1  0  0  0  0
M  END

$$$$
D02KKU
  -OEChem-10101305022D

 79 83  0     1  0  0  0  0  0999 V2000
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 33 74  1  0  0  0  0
 33 75  1  0  0  0  0
M  END

$$$$
D02KLE
  -OEChem-02041520382D

106112  0     1  0  0  0  0  0999 V2000
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M  END

$$$$
D02KLU
  -OEChem-10101305032D

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 14 22  1  0  0  0  0
M  END

$$$$
D02KNP
  -OEChem-10191522202D

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M  END

$$$$
D02KPV
  -OEChem-10101305022D

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M  END

$$$$
D02KSN
  -OEChem-04152122342D

 45 48  0     0  0  0  0  0  0999 V2000
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 18 35  1  0  0  0  0
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 25 42  1  0  0  0  0
 26 43  1  0  0  0  0
 26 44  1  0  0  0  0
 26 45  1  0  0  0  0
M  END

$$$$
D02KVB
  -OEChem-10191521372D

 26 26  0     0  0  0  0  0  0999 V2000
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 10 12  2  0  0  0  0
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 15 18  1  0  0  0  0
M  END

$$$$
D02KVR
  -OEChem-10191522182D

 64 69  0     0  0  0  0  0  0999 V2000
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 36 64  1  0  0  0  0
M  END

$$$$
D02KXU
  -OEChem-10101305022D

 36 38  0     1  0  0  0  0  0999 V2000
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   10.4203    0.2606    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
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  2  8  2  0  0  0  0
  3 15  1  0  0  0  0
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  4 21  1  0  0  0  0
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  5 23  1  0  0  0  0
  6 10  2  0  0  0  0
  6 11  1  0  0  0  0
  7  8  1  0  0  0  0
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  7 12  1  0  0  0  0
  9 13  1  0  0  0  0
 10 16  1  0  0  0  0
 10 24  1  0  0  0  0
 11 17  2  0  0  0  0
 11 25  1  0  0  0  0
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 12 26  1  0  0  0  0
 13 15  2  0  0  0  0
 13 27  1  0  0  0  0
 14 16  2  0  0  0  0
 14 17  1  0  0  0  0
 14 19  1  0  0  0  0
 15 18  1  0  0  0  0
 16 28  1  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
 19 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

$$$$
D02KXX
  -OEChem-10101305032D

 30 31  0     0  0  0  0  0  0999 V2000
    2.8660   -4.2500    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.2500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.7320    1.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7320    1.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8660   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.5981    2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.2690   -3.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 19  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  2  0  0  0  0
  2  6  1  0  0  0  0
  2  7  1  0  0  0  0
  5  8  2  0  0  0  0
  6  8  1  0  0  0  0
  6 20  1  0  0  0  0
  6 21  1  0  0  0  0
  7 10  2  0  0  0  0
  7 11  1  0  0  0  0
  8  9  1  0  0  0  0
  9 12  2  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 15  2  0  0  0  0
 11 23  1  0  0  0  0
 12 17  1  0  0  0  0
 12 24  1  0  0  0  0
 13 18  2  0  0  0  0
 13 25  1  0  0  0  0
 14 16  2  0  0  0  0
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 15 16  1  0  0  0  0
 15 27  1  0  0  0  0
 16 28  1  0  0  0  0
 17 19  2  0  0  0  0
 17 29  1  0  0  0  0
 18 19  1  0  0  0  0
 18 30  1  0  0  0  0
M  END

$$$$
D02KYP
  -OEChem-02061503562D

 15 16  0     0  0  0  0  0  0999 V2000
    5.4460    1.1064    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.6064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0000    0.3936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.4631   -0.9164    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    0.7036    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  2  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  6  2  0  0  0  0
  3  5  1  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  7  2  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 13  1  0  0  0  0
  8  9  2  0  0  0  0
  8 14  1  0  0  0  0
  9 15  1  0  0  0  0
M  END

$$$$
D02KZD
  -OEChem-10191522252D

 45 49  0     1  0  0  0  0  0999 V2000
    2.0000   -0.9743    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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    8.6830   -2.9081    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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    6.8478    1.3782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 26 28  1  0  0  0  0
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 27 29  2  0  0  0  0
 27 44  1  0  0  0  0
 28 30  2  0  0  0  0
 29 30  1  0  0  0  0
 29 45  1  0  0  0  0
M  END

$$$$
D02LCC
  -OEChem-04152109482D

 35 37  0     0  0  0  0  0  0999 V2000
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 19 33  1  0  0  0  0
M  END

$$$$
D02LCH
  -OEChem-10101305022D

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M  END

$$$$
D02LCT
  -OEChem-04152110462D

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   13.1608   -2.3292    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
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  2 12  1  0  0  0  0
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 19  5  1  6  0  0  0
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 10 13  1  0  0  0  0
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 10 32  1  1  0  0  0
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 17 18  1  0  0  0  0
 17 22  1  1  0  0  0
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 18 43  1  0  0  0  0
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 20 45  1  0  0  0  0
 20 46  1  0  0  0  0
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 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 24  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 26  1  0  0  0  0
 25 27  1  0  0  0  0
 25 56  1  0  0  0  0
 26 28  2  0  0  0  0
 26 57  1  0  0  0  0
 27 29  2  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 30  1  0  0  0  0
M  END

$$$$
D02LDY
  -OEChem-10101305022D

 32 34  0     0  0  0  0  0  0999 V2000
    3.4030    0.9400    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   10.4114   -0.2553    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4114   -1.8647    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9030    1.8060    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9030    0.0740    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    1.4400    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    0.4400    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331   -0.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -0.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651   -0.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991   -0.0600    0.0000 C   0  0  0  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
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   10.9950   -1.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.1962   -1.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    7.4040    1.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.5981   -0.3700    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
   11.4558   -1.4747    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4558   -0.6453    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    2.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.7500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -0.1800    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  7  1  0  0  0  0
  2 10  1  0  0  0  0
  2 20  1  0  0  0  0
  3 12  1  0  0  0  0
  3 20  1  0  0  0  0
  6 17  1  0  0  0  0
  6 30  1  0  0  0  0
  7 31  1  0  0  0  0
  7 32  1  0  0  0  0
  8  9  1  0  0  0  0
  8 11  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 11  1  0  0  0  0
 10 12  2  0  0  0  0
 11 21  1  0  0  0  0
 12 16  1  0  0  0  0
 13 16  2  0  0  0  0
 13 22  1  0  0  0  0
 14 18  1  0  0  0  0
 14 23  1  0  0  0  0
 15 19  2  0  0  0  0
 15 24  1  0  0  0  0
 16 25  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 18 26  1  0  0  0  0
 19 27  1  0  0  0  0
 20 28  1  0  0  0  0
 20 29  1  0  0  0  0
M  END

$$$$
D02LFU
  -OEChem-10101305032D

 44 47  0     1  0  0  0  0  0999 V2000
    4.9889    1.4076    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.9394    1.0970    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0384    1.7183    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6318   -3.7977    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783    0.4571    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9889   -2.1029    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
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    4.6783   -1.1524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3211   -2.8472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2781   -3.2596    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6103   -4.0039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.8476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7320    0.1524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.3476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.6524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2996    2.3581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.8476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.1524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2781    2.5644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6318    3.1024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.1135    4.8485    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  5  1  0  0  0  0
  1 17  1  0  0  0  0
  4  9  1  0  0  0  0
  4 11  1  0  0  0  0
  4 34  1  0  0  0  0
  5 13  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 25  1  0  0  0  0
  7 10  1  0  0  0  0
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  8 12  1  0  0  0  0
  8 13  2  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 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
 12 15  2  0  0  0  0
 13 35  1  0  0  0  0
 14 16  2  0  0  0  0
 15 18  1  0  0  0  0
 15 36  1  0  0  0  0
 16 19  1  0  0  0  0
 16 37  1  0  0  0  0
 17 20  2  0  0  0  0
 17 21  1  0  0  0  0
 18 19  2  0  0  0  0
 18 38  1  0  0  0  0
 19 39  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
 22 42  1  0  0  0  0
 23 24  1  0  0  0  0
 23 43  1  0  0  0  0
 24 44  1  0  0  0  0
M  END

$$$$
D02LHQ
  -OEChem-10101305032D

 23 23  0     0  0  0  0  0  0999 V2000
    2.5369   -0.1550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -3.1550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    2.8450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    2.8450    0.0000 O   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
    4.2690   -0.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    1.3450    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   -1.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -1.6550    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
    5.1350    2.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0569    1.4276    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6584    0.7373    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3471    0.7624    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7456    1.4527    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6720   -0.3450    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.9650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6720   -1.9650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.4650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8059   -3.4650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    3.4650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
  1 21  1  0  0  0  0
  2 12  1  0  0  0  0
  2 22  1  0  0  0  0
  3 13  1  0  0  0  0
  3 23  1  0  0  0  0
  4 13  2  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 14  1  0  0  0  0
  5 15  1  0  0  0  0
  6  8  2  0  0  0  0
  6  9  1  0  0  0  0
  7 13  1  0  0  0  0
  7 16  1  0  0  0  0
  7 17  1  0  0  0  0
  8 10  1  0  0  0  0
  9 11  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 12  1  0  0  0  0
 11 20  1  0  0  0  0
M  END

$$$$
D02LIR
  -OEChem-10191521552D

 42 45  0     0  0  0  0  0  0999 V2000
   10.5993   -2.7565    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    9.5346    0.5399    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.8978    1.2939    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3053   -0.1414    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9383    1.8066    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    7.1138   -1.9978    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8101   -1.0540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6191   -0.4662    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0010   -0.4662    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3101    0.4849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3101    0.4849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4218   -1.0526    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9856   -0.6984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6251    1.2696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2827    0.0702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6046    1.0609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1154   -1.4156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0669   -1.1083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8089   -1.7787    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2765   -0.1305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 27 40  1  0  0  0  0
 27 41  1  0  0  0  0
 27 42  1  0  0  0  0
M  END

$$$$
D02LLU
  -OEChem-10101305022D

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 19 30  1  0  0  0  0
 20 31  1  0  0  0  0
M  END

$$$$
D02LMJ
  BIDD-NUS20110812001D

104105  0     1  0            999 V2000
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 91 73  2  0     0  0
 92 74  2  0     0  0
 93 80  1  0     0  0
 94 78  1  0     0  0
 95 79  1  0     0  0
 96 81  1  0     0  0
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 99 92  1  0     0  0
100 89  2  0     0  0
101 90  2  0     0  0
102 91  1  0     0  0
103100  1  0     0  0
104101  1  0     0  0
104102  2  0     0  0
103 99  2  0     0  0
M  ENDM  END

$$$$
D02LML
  -OEChem-10101305022D

 40 42  0     0  0  0  0  0  0999 V2000
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    4.3660    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6340   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    0.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6340    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  1 12  1  0  0  0  0
  1 22  1  0  0  0  0
  2  3  1  0  0  0  0
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  3 11  1  0  0  0  0
  4  7  2  0  0  0  0
  4 10  1  0  0  0  0
  5  6  2  0  0  0  0
  5  9  1  0  0  0  0
  6 15  1  0  0  0  0
  6 23  1  0  0  0  0
  7 14  1  0  0  0  0
  7 24  1  0  0  0  0
  8 13  1  0  0  0  0
  8 25  1  0  0  0  0
  9 18  2  0  0  0  0
  9 26  1  0  0  0  0
 10 17  2  0  0  0  0
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 13 19  2  0  0  0  0
 13 32  1  0  0  0  0
 14 20  2  0  0  0  0
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 17 20  1  0  0  0  0
 17 36  1  0  0  0  0
 18 21  1  0  0  0  0
 18 37  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
M  END

$$$$
D02LMR
          02051001022D 1   1.00000     0.00000     0

 48 53  0     1  0            999 V2000
    4.6697   -1.9286    0.0000 F   0  0  0  0  0  0           0  0  0
    4.6739   -1.2078    0.0000 F   0  0  0  0  0  0           0  0  0
    4.0500   -1.5667    0.0000 C   0  0  3  0  0  0           0  0  0
    3.2125   -1.0833    0.0000 C   0  0  1  0  0  0           0  0  0
    1.8167   -0.9959    0.0000 C   0  0  1  0  0  0           0  0  0
    2.8626   -1.6459    0.0000 C   0  0  1  0  0  0           0  0  0
    2.1584   -1.6584    0.0000 C   0  0  1  0  0  0           0  0  0
    2.8751   -0.4500    0.0000 O   0  0  0  0  0  0           0  0  0
    2.1751   -0.4500    0.0000 C   0  0  2  0  0  0           0  0  0
    1.1125   -1.0084    0.0000 O   0  0  0  0  0  0           0  0  0
    1.1417    0.1875    0.0000 O   0  0  0  0  0  0           0  0  0
    1.8417    0.1917    0.0000 C   0  0  0  0  0  0           0  0  0
    1.7917   -2.2542    0.0000 O   0  0  0  0  0  0           0  0  0
    3.8667   -0.7500    0.0000 O   0  0  0  0  0  0           0  0  0
    4.0495   -2.2875    0.0000 C   0  0  0  0  0  0           0  0  0
    4.6710   -2.6463    0.0000 N   0  0  0  0  0  0           0  0  0
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    4.6792   -3.3417    0.0000 C   0  0  1  0  0  0           0  0  0
    5.2959   -3.6917    0.0000 C   0  0  0  0  0  0           0  0  0
    5.2959   -4.4042    0.0000 C   0  0  0  0  0  0           0  0  0
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 15 16  1  0     0  0
  3  2  1  0     0  0
  5  9  1  0     0  0
  6  4  1  0     0  0
  7  6  1  0     0  0
  8  4  1  0     0  0
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  5 10  1  6     0  0
 11 12  1  0     0  0
  9 12  1  1     0  0
  7 13  1  1     0  0
  4 14  1  6     0  0
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  4  3  1  0     0  0
 18 17  1  0     0  0
 19 18  1  0     0  0
 20 22  1  0     0  0
 21 17  1  0     0  0
 22 21  1  0     0  0
 18 16  1  6     0  0
 22 23  1  1     0  0
 24 21  1  0     0  0
 25 20  2  0     0  0
 26 19  2  0     0  0
 27 31  2  0     0  0
 28 29  1  0     0  0
 29 17  1  0     0  0
 30 34  2  0     0  0
 31 35  1  0     0  0
 32 26  1  0     0  0
 33 25  1  0     0  0
 34 23  1  0     0  0
 35 23  2  0     0  0
 36 33  1  0     0  0
 37 32  1  0     0  0
 38 37  1  0     0  0
 39 24  2  0     0  0
 40 27  1  0     0  0
 41 30  1  0     0  0
 42 31  1  0     0  0
 43 41  1  0     0  0
 44 42  1  0     0  0
 21 45  1  6     0  0
 17 46  1  1     0  0
 24 28  1  0     0  0
 20 19  1  0     0  0
 30 27  1  0     0  0
 32 33  2  0     0  0
 38 36  1  0     0  0
  1  3  1  0     0  0
 15 47  2  0     0  0
  3 15  1  0     0  0
  6 48  1  6     0  0
M  END

$$$$
D02LQG
  -OEChem-10101305022D

 40 42  0     1  0  0  0  0  0999 V2000
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    4.9764   -2.5435    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5690    2.2955    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
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    4.7026    0.5051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8787   -0.4119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1375    0.5541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.9895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 10 28  1  0  0  0  0
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 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
M  END

$$$$
D02LTS
  -OEChem-10191522302D

 62 64  0     1  0  0  0  0  0999 V2000
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 32 59  1  0  0  0  0
 32 60  1  0  0  0  0
 32 61  1  0  0  0  0
M  END

$$$$
D02LTV
  -OEChem-10101305022D

 39 42  0     1  0  0  0  0  0999 V2000
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 23 24  1  0  0  0  0
 23 38  1  0  0  0  0
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M  END

$$$$
D02LUF
  -OEChem-10101305022D

 52 55  0     1  0  0  0  0  0999 V2000
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M  END

$$$$
D02LWB
  -OEChem-10101305032D

 26 28  0     0  0  0  0  0  0999 V2000
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 15 26  1  0  0  0  0
M  END

$$$$
D02LWF
  -OEChem-10101305022D

205207  0     1  0  0  0  0  0999 V2000
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108198  1  0  0  0  0
108199  1  0  0  0  0
M  END

$$$$
D02LWX
  -OEChem-10101305022D

 26 28  0     0  0  0  0  0  0999 V2000
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 15 25  1  0  0  0  0
M  CHG  1   3   1
M  END

$$$$
D02LXI
  -OEChem-04152110412D

 55 57  0     1  0  0  0  0  0999 V2000
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   10.3608    5.1607    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   12.2383    3.0754    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -5.2339    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 24  1  0  0  0  0
  2 21  1  0  0  0  0
  2 27  1  0  0  0  0
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  3 23  1  0  0  0  0
  4  9  1  0  0  0  0
  4 11  1  0  0  0  0
  5 23  2  0  0  0  0
  6 32  1  0  0  0  0
  6 55  1  0  0  0  0
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 14 20  1  0  0  0  0
 14 21  1  0  0  0  0
 15 24  1  0  0  0  0
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 16 19  1  0  0  0  0
 16 34  1  0  0  0  0
 17 20  2  0  0  0  0
 17 35  1  0  0  0  0
 18 26  1  0  0  0  0
 19 36  1  0  0  0  0
 20 37  1  0  0  0  0
 21 38  1  0  0  0  0
 21 39  1  0  0  0  0
 22 41  1  0  0  0  0
 22 42  1  0  0  0  0
 22 43  1  0  0  0  0
 24 28  2  0  0  0  0
 25 29  1  0  0  0  0
 25 44  1  0  0  0  0
 26 45  1  0  0  0  0
 26 46  1  0  0  0  0
 26 47  1  0  0  0  0
 27 31  1  0  0  0  0
 27 48  1  0  0  0  0
 27 49  1  0  0  0  0
 28 30  1  0  0  0  0
 28 50  1  0  0  0  0
 29 30  2  0  0  0  0
 29 51  1  0  0  0  0
 30 54  1  0  0  0  0
 31 32  1  0  0  0  0
 31 52  1  0  0  0  0
 31 53  1  0  0  0  0
M  END

$$$$
D02LXJ
  -OEChem-10101305032D

 36 37  0     0  0  0  0  0  0999 V2000
    9.7942    2.1900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    2.1900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -1.3100    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   -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
    5.4641   -1.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282   -1.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -2.8100    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
    8.9282   -2.3100    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
    8.0622    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
    3.7320   -2.3100    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
    2.0000   -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
    2.0000   -2.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    1.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7287   -0.3351    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9316   -0.3351    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6592   -2.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.9300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    8.0622   -3.4300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651   -2.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5252    0.5000    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
    4.2690   -2.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -1.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.4300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651    0.3800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -2.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942    2.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 20  1  0  0  0  0
  1 36  1  0  0  0  0
  2 20  2  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3  6  2  0  0  0  0
  4  7  1  0  0  0  0
  4 21  1  0  0  0  0
  4 22  1  0  0  0  0
  5  8  2  0  0  0  0
  5 13  1  0  0  0  0
  6  9  1  0  0  0  0
  6 23  1  0  0  0  0
  7 10  2  0  0  0  0
  7 24  1  0  0  0  0
  8 11  1  0  0  0  0
  8 25  1  0  0  0  0
  9 11  2  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
 11 28  1  0  0  0  0
 12 14  2  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  1  0  0  0  0
 14 30  1  0  0  0  0
 15 18  2  0  0  0  0
 15 31  1  0  0  0  0
 16 20  1  0  0  0  0
 16 34  1  0  0  0  0
 17 19  2  0  0  0  0
 17 32  1  0  0  0  0
 18 19  1  0  0  0  0
 18 33  1  0  0  0  0
 19 35  1  0  0  0  0
M  END

$$$$
D02LZL
  -OEChem-10101305022D

 39 40  0     0  0  0  0  0  0999 V2000
    3.7891    3.8184    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0981    4.7694    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.7694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.2694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.2694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -4.2694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -4.2694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -4.7694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.7694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.2694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.2694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.7306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.7306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.2306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    3.2306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4071    3.8184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0981    4.7694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -2.4594    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7880   -2.6868    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3426   -3.3771    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9441   -2.6868    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3894   -3.3771    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9441   -4.8520    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3426   -4.1618    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3894   -4.1618    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7880   -4.8520    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4675   -5.2444    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2646   -5.2444    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6540   -1.1868    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2554   -1.8771    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9441   -1.8520    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3426   -1.1618    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5200    2.3132    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1215    1.6229    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8101    1.6480    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2087    2.3382    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1994    3.6268    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9967    3.6268    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7336    5.2710    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 15  1  0  0  0  0
  1 17  1  0  0  0  0
  1 37  1  0  0  0  0
  2 16  1  0  0  0  0
  2 17  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
  3 18  1  0  0  0  0
  4  6  1  0  0  0  0
  4 19  1  0  0  0  0
  4 22  1  0  0  0  0
  5  7  1  0  0  0  0
  5 20  1  0  0  0  0
  5 21  1  0  0  0  0
  6  8  1  0  0  0  0
  6 25  1  0  0  0  0
  6 26  1  0  0  0  0
  7  8  1  0  0  0  0
  7 23  1  0  0  0  0
  7 24  1  0  0  0  0
  8 27  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 12  3  0  0  0  0
 12 13  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 15  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 38  1  0  0  0  0
 17 39  1  0  0  0  0
M  END

$$$$
D02MAK
  -OEChem-10101305032D

 23 24  0     0  0  0  0  0  0999 V2000
    6.3580   -1.2247    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.1900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.3100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1282   -1.2142    0.0000 O   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
    3.7320    0.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.6900    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   -0.6900    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
    6.3580    0.8447    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
    7.2641    0.3308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641   -0.7108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.4300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3509    1.4646    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7998    0.6429    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4860    1.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    2.4300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2460    1.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1 14  1  0  0  0  0
  2  9  1  0  0  0  0
  2 23  1  0  0  0  0
  3 12  2  0  0  0  0
  4 14  2  0  0  0  0
  5  7  1  0  0  0  0
  5  8  2  0  0  0  0
  5 11  1  0  0  0  0
  6  8  1  0  0  0  0
  6  9  2  0  0  0  0
  6 12  1  0  0  0  0
  7 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 13  2  0  0  0  0
 11 18  1  0  0  0  0
 12 15  1  0  0  0  0
 13 14  1  0  0  0  0
 13 19  1  0  0  0  0
 15 20  1  0  0  0  0
 15 21  1  0  0  0  0
 15 22  1  0  0  0  0
M  END

$$$$
D02MBV
  -OEChem-10191521192D

 51 54  0     0  0  0  0  0  0999 V2000
   10.8656   -1.0357    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
    4.5204   -1.3874    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.2524   -4.3874    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.5714    2.8739    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5823    2.6649    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1701    1.8559    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2524   -0.3875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4434    0.2003    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4067    4.2829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4013    4.3874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    3.3694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9890    3.5784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5878    2.5604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1646    1.9604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7524    1.1514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7524    1.1514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0614    0.2003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0125   -0.1087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3402    1.9604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2524   -1.3874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2204   -1.0868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7556    0.5604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3864   -1.8874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1184   -1.8874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1714   -1.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 20 23  2  0  0  0  0
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 21 45  1  0  0  0  0
 22 26  2  0  0  0  0
 22 46  1  0  0  0  0
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 25 48  1  0  0  0  0
 26 29  1  0  0  0  0
 26 49  1  0  0  0  0
 27 30  2  0  0  0  0
 27 50  1  0  0  0  0
 28 30  1  0  0  0  0
 28 51  1  0  0  0  0
M  ISO  1   1 123
M  END

$$$$
D02MBW
  -OEChem-10101305032D

 21 21  0     1  0  0  0  0  0999 V2000
    3.7208    0.7397    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.4182    0.5088    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4608   -0.5204    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7240    0.1487    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.9809   -0.5204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0298   -0.2114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5161    1.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6751   -0.1603    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7208    0.7397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4118   -0.2114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1344    0.3403    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0000   -0.1056    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3318   -1.1269    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  9  2  0  0  0  0
  3  7  1  0  0  0  0
  3 11  2  0  0  0  0
  4 11  1  0  0  0  0
  4 20  1  0  0  0  0
  4 21  1  0  0  0  0
  5  6  1  0  0  0  0
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  5 12  1  0  0  0  0
  6  7  1  0  0  0  0
  6 13  1  0  0  0  0
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  7 10  2  0  0  0  0
  8 15  1  0  0  0  0
  8 16  1  0  0  0  0
  8 17  1  0  0  0  0
  9 18  1  0  0  0  0
 10 19  1  0  0  0  0
M  END

$$$$
D02MDC
  -OEChem-10191522072D

 58 60  0     1  0  0  0  0  0999 V2000
    8.9282    1.5000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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    6.3301    0.0000    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
    8.0622    1.0000    0.0000 N   0  0  3  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
    8.9282   -1.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.5000    0.0000 N   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
    9.7942    2.0000    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
    8.0622    0.0000    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
   10.6603    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942    3.0000    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
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    6.3301    3.0000    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
    8.9282   -0.5000    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
   10.6603    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5263    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7320    2.5000    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
    8.0622   -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
    2.0000    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.1996    0.5251    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9966    0.5251    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8535    2.3923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   12.0632    1.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651   -0.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0403    0.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603   -0.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2803    0.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
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  1 11  1  0  0  0  0
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 16 21  2  0  0  0  0
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 17 24  1  0  0  0  0
 17 39  1  0  0  0  0
 18 27  1  0  0  0  0
 18 28  2  0  0  0  0
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 22 45  1  0  0  0  0
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 23 48  1  0  0  0  0
 24 25  2  0  0  0  0
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 25 50  1  0  0  0  0
 26 29  1  0  0  0  0
 26 51  1  0  0  0  0
 27 30  2  0  0  0  0
 27 52  1  0  0  0  0
 28 53  1  0  0  0  0
 30 31  1  0  0  0  0
 30 54  1  0  0  0  0
 31 55  1  0  0  0  0
 32 56  1  0  0  0  0
 32 57  1  0  0  0  0
 32 58  1  0  0  0  0
M  END

$$$$
D02MEX
  -OEChem-10191521552D

 58 60  0     1  0  0  0  0  0999 V2000
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  1 30  1  0  0  0  0
 10  2  1  6  0  0  0
  2 48  1  0  0  0  0
 15  3  1  6  0  0  0
  3 53  1  0  0  0  0
  4 27  1  0  0  0  0
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  9 35  1  0  0  0  0
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 17 40  1  0  0  0  0
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 18 24  1  0  0  0  0
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 19 44  1  0  0  0  0
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 21 49  1  0  0  0  0
 22 26  2  0  0  0  0
 22 50  1  0  0  0  0
 23 28  1  0  0  0  0
 23 51  1  0  0  0  0
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 25 30  2  0  0  0  0
 25 54  1  0  0  0  0
 26 30  1  0  0  0  0
 26 55  1  0  0  0  0
 28 31  2  0  0  0  0
 28 56  1  0  0  0  0
 29 31  1  0  0  0  0
 29 57  1  0  0  0  0
 31 58  1  0  0  0  0
M  CHG  1   4  -1
M  END

$$$$
D02MFQ
  -OEChem-10101305022D

 26 26  0     0  0  0  0  0  0999 V2000
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  1  9  1  0  0  0  0
  1 10  2  0  0  0  0
  2 10  1  0  0  0  0
  2 25  1  0  0  0  0
  2 26  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3 11  1  0  0  0  0
  3 12  1  0  0  0  0
  4  6  1  0  0  0  0
  4 13  1  0  0  0  0
  4 14  1  0  0  0  0
  5  7  1  0  0  0  0
  5 15  1  0  0  0  0
  5 16  1  0  0  0  0
  6  8  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 19  1  0  0  0  0
  7 20  1  0  0  0  0
  8 10  1  0  0  0  0
  8 21  1  0  0  0  0
  8 22  1  0  0  0  0
  9 23  1  0  0  0  0
  9 24  1  0  0  0  0
M  END

$$$$
D02MFX
  -OEChem-10101305022D

127130  0     1  0  0  0  0  0999 V2000
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 59115  1  0  0  0  0
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 60116  1  0  0  0  0
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 63120  1  0  0  0  0
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 65121  1  0  0  0  0
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 67 69  1  0  0  0  0
 67123  1  0  0  0  0
 69124  1  0  0  0  0
M  END

$$$$
D02MIH
  -OEChem-10101305022D

 33 34  0     0  0  0  0  0  0999 V2000
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  3 11  1  0  0  0  0
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  5  9  1  0  0  0  0
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 19 32  1  0  0  0  0
 20 21  2  0  0  0  0
 21 33  1  0  0  0  0
M  END

$$$$
D02MIN
  -OEChem-10101305022D

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 39 43  2  0  0  0  0
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 40 41  1  0  0  0  0
 41 45  1  0  0  0  0
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 43 44  1  0  0  0  0
 43 86  1  0  0  0  0
 44 87  1  0  0  0  0
 45 46  1  0  0  0  0
 45 88  1  0  0  0  0
 45 89  1  0  0  0  0
M  END

$$$$
D02MJE
  -OEChem-10191522302D

 42 45  0     1  0  0  0  0  0999 V2000
    6.6615    1.9512    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.2937   -0.5580    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2211   -0.0376    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    6.4027    0.9852    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.9622   -1.0035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9844    0.8111    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   11.7942   -1.7623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2302   -2.0035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8505    1.3111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7302   -1.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0530   -0.7964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0185    1.0699    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.6730   -0.1947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0000    1.1673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0028   -1.6222    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8735    1.6538    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5821   -2.3449    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.3855   -1.9487    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6932   -2.3135    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   10.4322    1.5256    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   12.6443   -0.9828    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.2651   -0.2138    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0819   -1.5978    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
  2 14  1  0  0  0  0
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  8 12  1  0  0  0  0
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  9 11  1  0  0  0  0
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 10 30  1  0  0  0  0
 10 31  1  0  0  0  0
 11 32  1  0  0  0  0
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 13 14  1  0  0  0  0
 15 16  1  0  0  0  0
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 21 40  1  0  0  0  0
 22 23  1  0  0  0  0
 22 41  1  0  0  0  0
 23 42  1  0  0  0  0
M  END

$$$$
D02MJN
  -OEChem-10101305032D

 29 30  0     0  0  0  0  0  0999 V2000
    4.5981    0.0600    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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    4.5981    1.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  1  3  2  0  0  0  0
  1  7  1  0  0  0  0
  1  8  1  0  0  0  0
  4 12  1  0  0  0  0
  4 28  1  0  0  0  0
  4 29  1  0  0  0  0
  5 19  3  0  0  0  0
  6 20  3  0  0  0  0
  7  9  1  0  0  0  0
  7 10  2  0  0  0  0
  8 11  1  0  0  0  0
  8 13  2  0  0  0  0
  9 12  2  0  0  0  0
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 10 14  1  0  0  0  0
 10 21  1  0  0  0  0
 11 16  2  0  0  0  0
 11 22  1  0  0  0  0
 12 15  1  0  0  0  0
 13 17  1  0  0  0  0
 13 23  1  0  0  0  0
 14 15  2  0  0  0  0
 14 24  1  0  0  0  0
 15 25  1  0  0  0  0
 16 18  1  0  0  0  0
 16 20  1  0  0  0  0
 17 18  2  0  0  0  0
 17 26  1  0  0  0  0
 18 27  1  0  0  0  0
M  END

$$$$
D02MKP
  -OEChem-10101305022D

236238  0     1  0  0  0  0  0999 V2000
   17.4337    2.3402    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.0309    2.5853    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.3426    1.2983    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.0505    5.9253    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.7953    5.7405    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.4142   -0.9999    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1972    3.2405    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   25.0114   -0.7548    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   25.3947   -4.3399    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.7084    6.8650    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991    5.7405    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   28.9919   -4.0948    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   27.6238   -0.3360    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   31.0028   -7.0875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   15.3816    7.9783    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   29.3752   -7.6799    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   26.4620   -9.8044    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    3.4030    7.7405    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   17.7345    4.0459    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   19.4033    1.9929    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   18.3773    4.8120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.7606    1.2268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3170    5.1540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.0765    3.1062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9292    4.2405    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.5873    3.3008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   20.3882    1.8192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.2300    2.5348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4077    5.1592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.1026    0.2871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.7757    1.4005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.3838   -1.3472    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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   20.0830    4.5112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7953    4.7405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3578    1.4719    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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M  END

$$$$
D02MKW
  -OEChem-04152122312D

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M  END

$$$$
D02MLI
  -OEChem-10191522312D

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 20 56  1  0  0  0  0
 21 25  1  0  0  0  0
 21 59  1  0  0  0  0
 21 60  1  0  0  0  0
 22 26  1  0  0  0  0
 22 57  1  0  0  0  0
 22 58  1  0  0  0  0
 23 27  1  0  0  0  0
 23 61  1  0  0  0  0
 23 62  1  0  0  0  0
 24 63  1  0  0  0  0
 24 64  1  0  0  0  0
 24 65  1  0  0  0  0
 25 68  1  0  0  0  0
 25 69  1  0  0  0  0
 26 66  1  0  0  0  0
 26 67  1  0  0  0  0
 27 29  1  0  0  0  0
 27 30  2  0  0  0  0
 28 31  2  0  0  0  0
 28 32  1  0  0  0  0
 29 33  2  0  0  0  0
 29 70  1  0  0  0  0
 30 71  1  0  0  0  0
 31 34  1  0  0  0  0
 31 72  1  0  0  0  0
 32 35  2  0  0  0  0
 32 73  1  0  0  0  0
 33 36  1  0  0  0  0
 33 74  1  0  0  0  0
 34 37  2  0  0  0  0
 35 37  1  0  0  0  0
 35 75  1  0  0  0  0
 38 76  1  0  0  0  0
 38 77  1  0  0  0  0
 38 78  1  0  0  0  0
M  END

$$$$
D02MME
  -OEChem-10101305022D

 25 25  0     1  0  0  0  0  0999 V2000
    4.5981    2.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.5000    0.0000 C   0  0  2  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
    2.0000    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   -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
    2.0000   -2.0000    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
    3.7320    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
    2.8660    1.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100    1.5369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    1.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900    0.4631    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   -0.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2881   -0.0369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    0.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9081    1.0369    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
    4.2690   -2.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951    2.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  2  0  0  0  0
  3  2  1  6  0  0  0
  2  8  1  0  0  0  0
  2 11  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3 13  1  0  0  0  0
  4  6  2  0  0  0  0
  4  7  1  0  0  0  0
  5 14  1  0  0  0  0
  5 15  1  0  0  0  0
  5 16  1  0  0  0  0
  6  9  1  0  0  0  0
  6 17  1  0  0  0  0
  7 10  2  0  0  0  0
  7 18  1  0  0  0  0
  8 19  1  0  0  0  0
  8 20  1  0  0  0  0
  8 21  1  0  0  0  0
  9 12  2  0  0  0  0
  9 22  1  0  0  0  0
 10 12  1  0  0  0  0
 10 23  1  0  0  0  0
 11 24  1  0  0  0  0
 12 25  1  0  0  0  0
M  END

$$$$
D02MMS
  -OEChem-10101305022D

 39 39  0     1  0  0  0  0  0999 V2000
    2.8660   -3.5000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.0000    0.0000 C   0  0  3  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
    4.5981    0.5000    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
    2.8660   -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    3.5000    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   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    4.0000    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
    3.7320   -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
    2.0000   -4.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4682    1.4250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6540    1.0826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2554    0.3923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1996    0.0251    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9966    0.0251    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951    2.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8101    1.9174    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2087    2.6077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7741    0.4631    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    1.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1541    1.5369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3860    4.0826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9875    3.3923    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   -0.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7741    3.4631    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    4.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1541    4.5369    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
    4.2690   -2.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -3.4631    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -4.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   -4.5369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 15  1  0  0  0  0
  1 16  1  0  0  0  0
  2  3  1  0  0  0  0
  2  6  1  0  0  0  0
  2 22  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3 17  1  0  0  0  0
  4  7  1  0  0  0  0
  4 18  1  0  0  0  0
  4 19  1  0  0  0  0
  5  8  1  0  0  0  0
  5 20  1  0  0  0  0
  5 21  1  0  0  0  0
  6  9  1  0  0  0  0
  6 23  1  0  0  0  0
  6 24  1  0  0  0  0
  7 10  2  0  0  0  0
  7 11  1  0  0  0  0
  8 25  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 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
 11 14  2  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
 12 34  1  0  0  0  0
 13 15  2  0  0  0  0
 13 35  1  0  0  0  0
 14 15  1  0  0  0  0
 14 36  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
M  END

$$$$
D02MMY
  -OEChem-10101305032D

 38 41  0     0  0  0  0  0  0999 V2000
    2.8602    3.0715    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6635    4.1313    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5948   -4.6346    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8506   -1.5654    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7166   -0.0654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5827   -0.5654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7006    0.9761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5827   -1.5654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5986    1.5039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7166   -2.0654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4927   -0.0586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8506   -0.5654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5007    0.9830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7487    1.4967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6070    2.5888    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4927   -2.0722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7319    2.5816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6674    3.1313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7006   -3.1069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5007   -3.1138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5986   -3.6347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.5616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5276    4.6346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0260   -0.3747    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3137   -0.2554    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0388    1.2910    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2178    1.1764    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3137   -1.8754    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1451    2.8968    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0260   -1.7560    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1601   -3.4107    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0388   -3.4218    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6838    3.0949    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4667    2.2454    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3162    2.0283    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8397    4.0989    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0633    4.9467    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2155    5.1704    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 17  1  0  0  0  0
  1 22  1  0  0  0  0
  2 18  1  0  0  0  0
  2 23  1  0  0  0  0
  3 21  2  0  0  0  0
  4 10  1  0  0  0  0
  4 12  1  0  0  0  0
  4 28  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  2  0  0  0  0
  6 11  1  0  0  0  0
  7  9  1  0  0  0  0
  7 14  2  0  0  0  0
  8 10  1  0  0  0  0
  8 16  1  0  0  0  0
  9 13  1  0  0  0  0
  9 15  2  0  0  0  0
 10 19  2  0  0  0  0
 11 13  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
 14 17  1  0  0  0  0
 14 27  1  0  0  0  0
 15 18  1  0  0  0  0
 15 29  1  0  0  0  0
 16 20  2  0  0  0  0
 16 30  1  0  0  0  0
 17 18  2  0  0  0  0
 19 21  1  0  0  0  0
 19 31  1  0  0  0  0
 20 21  1  0  0  0  0
 20 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
 23 36  1  0  0  0  0
 23 37  1  0  0  0  0
 23 38  1  0  0  0  0
M  END

$$$$
D02MNM
  -OEChem-10191521522D

 63 64  0     1  0  0  0  0  0999 V2000
    8.0622   -5.1900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -5.1900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.8100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -1.6900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -3.1900    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.8100    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    2.8100    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.5263   -3.1900    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.1900    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -3.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282   -3.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -3.6900    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.7942   -3.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    2.3100    0.0000 C   0  0  1  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   -3.6900    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
    5.4641    1.3100    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
    3.7320    4.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.6900    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
    5.4641   -0.6900    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
    4.5981   -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
    3.7320   -1.6900    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
    2.8660    5.8100    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
    8.4607   -2.7151    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6636   -2.7151    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5297   -4.1650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3267   -4.1650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6592   -4.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1928   -2.7151    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3957   -2.7151    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9875    2.9177    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3860    2.2274    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    2.9300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8101    4.3926    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7932   -3.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2617   -4.1650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0588   -4.1650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   12.0632   -3.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5263   -2.5700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1 18  1  0  0  0  0
  1 60  1  0  0  0  0
  2 18  2  0  0  0  0
  3 19  2  0  0  0  0
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 12  5  1  1  0  0  0
  5 20  1  0  0  0  0
  5 45  1  0  0  0  0
  6 19  1  0  0  0  0
  6 23  1  0  0  0  0
  6 48  1  0  0  0  0
 15  7  1  6  0  0  0
  7 50  1  0  0  0  0
  7 51  1  0  0  0  0
  8 17  1  0  0  0  0
  8 56  1  0  0  0  0
  8 57  1  0  0  0  0
  9 25  1  0  0  0  0
  9 62  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 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 18  1  0  0  0  0
 12 37  1  0  0  0  0
 13 17  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 16  1  0  0  0  0
 14 40  1  0  0  0  0
 14 41  1  0  0  0  0
 15 19  1  0  0  0  0
 15 42  1  0  0  0  0
 16 21  1  0  0  0  0
 16 43  1  0  0  0  0
 16 44  1  0  0  0  0
 17 46  1  0  0  0  0
 17 47  1  0  0  0  0
 20 22  1  0  0  0  0
 21 27  2  0  0  0  0
 21 28  1  0  0  0  0
 22 24  2  0  0  0  0
 22 26  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  2  0  0  0  0
 24 49  1  0  0  0  0
 25 29  1  0  0  0  0
 26 29  2  0  0  0  0
 26 52  1  0  0  0  0
 27 30  1  0  0  0  0
 27 53  1  0  0  0  0
 28 31  2  0  0  0  0
 28 54  1  0  0  0  0
 29 55  1  0  0  0  0
 30 32  2  0  0  0  0
 30 58  1  0  0  0  0
 31 32  1  0  0  0  0
 31 59  1  0  0  0  0
 32 61  1  0  0  0  0
M  END

$$$$
D02MOV
  -OEChem-10101305022D

 28 30  0     0  0  0  0  0  0999 V2000
    8.9942    0.4585    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.5173    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.5173    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.9827    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    2.4827    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.9827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.4827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    1.9827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.0173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2241    0.4480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2241    2.5173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1301    0.9619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1301    2.0035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.5173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.5981    1.9827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.0173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.5173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.0173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -0.8273    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2169   -0.1720    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2169    3.1373    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6659    2.3156    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.1027    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -2.3273    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0611    2.2927    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.1373    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -2.3273    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  1  0  0  0  0
  2 17  1  0  0  0  0
  3  7  1  0  0  0  0
  3  9  1  0  0  0  0
  3 20  1  0  0  0  0
  4  7  2  0  0  0  0
  4 16  1  0  0  0  0
  5  8  1  0  0  0  0
  5 16  2  0  0  0  0
  6  7  1  0  0  0  0
  6  8  2  0  0  0  0
  6 10  1  0  0  0  0
  8 11  1  0  0  0  0
  9 14  2  0  0  0  0
  9 15  1  0  0  0  0
 10 12  2  0  0  0  0
 10 21  1  0  0  0  0
 11 13  2  0  0  0  0
 11 22  1  0  0  0  0
 12 13  1  0  0  0  0
 13 23  1  0  0  0  0
 14 17  1  0  0  0  0
 14 24  1  0  0  0  0
 15 18  2  0  0  0  0
 15 25  1  0  0  0  0
 16 26  1  0  0  0  0
 17 19  2  0  0  0  0
 18 19  1  0  0  0  0
 18 27  1  0  0  0  0
 19 28  1  0  0  0  0
M  END

$$$$
D02MPG
  -OEChem-10101305022D

 34 36  0     0  0  0  0  0  0999 V2000
    2.0000   -2.2500    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    9.7942   -1.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    2.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -0.7500    0.0000 N   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
    8.0622   -1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    0.7500    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
    6.3301    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.7500    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   -0.2500    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
    2.8660   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8660   -1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3267    0.2249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5297    0.2249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    7.8501   -2.3326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4048   -0.8577    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0063   -0.1674    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5297   -2.7250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3267   -2.7250    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
    4.9272    1.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -2.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -0.4400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 20  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 12  1  0  0  0  0
  4 13  2  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 10  1  0  0  0  0
  6  8  1  0  0  0  0
  6 21  1  0  0  0  0
  6 22  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 27  1  0  0  0  0
  9 28  1  0  0  0  0
 10 11  2  0  0  0  0
 11 13  1  0  0  0  0
 11 29  1  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
 14 30  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
 16 31  1  0  0  0  0
 17 19  2  0  0  0  0
 17 32  1  0  0  0  0
 18 20  2  0  0  0  0
 18 33  1  0  0  0  0
 19 20  1  0  0  0  0
 19 34  1  0  0  0  0
M  END

$$$$
D02MPP
  -OEChem-10101305032D

 20 20  0     0  0  0  0  0  0999 V2000
    2.0000   -1.5600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.9400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.9400    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8660   -1.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7320   -1.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0000   -2.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0000   -3.1800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    5.1350    1.6300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1 11  1  0  0  0  0
  2 10  2  0  0  0  0
  3 10  1  0  0  0  0
  3 19  1  0  0  0  0
  3 20  1  0  0  0  0
  4  6  2  0  0  0  0
  4  7  1  0  0  0  0
  4 10  1  0  0  0  0
  5  6  1  0  0  0  0
  5  8  2  0  0  0  0
  6 12  1  0  0  0  0
  7  9  2  0  0  0  0
  7 13  1  0  0  0  0
  8  9  1  0  0  0  0
  8 14  1  0  0  0  0
  9 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

$$$$
D02MPZ
  -OEChem-10101305022D

120124  0     1  0  0  0  0  0999 V2000
    7.7023    0.0600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1042   -2.4400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5683    0.5600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7023    2.0600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5683    1.5600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9702    2.0600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.2382   -0.9400    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.3004    1.5600    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   10.3004   -4.4400    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   10.8004    6.0988    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   10.3004    0.5600    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    4.2382    0.0600    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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M  END

$$$$
D02MQL
  -OEChem-04152110542D

 47 50  0     0  0  0  0  0  0999 V2000
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M  END

$$$$
D02MQM
  -OEChem-10101305032D

 38 38  0     0  0  0  0  0  0999 V2000
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 18 37  1  0  0  0  0
 19 38  1  0  0  0  0
M  END

$$$$
D02MQT
  -OEChem-10101305022D

 61 65  0     1  0  0  0  0  0999 V2000
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 27 55  1  0  0  0  0
 29 56  1  0  0  0  0
 29 57  1  0  0  0  0
 29 58  1  0  0  0  0
 30 59  1  0  0  0  0
 30 60  1  0  0  0  0
 30 61  1  0  0  0  0
M  END

$$$$
D02MUO
  -OEChem-10101305032D

 44 48  0     0  0  0  0  0  0999 V2000
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 28 30  1  0  0  0  0
 28 42  1  0  0  0  0
 29 31  1  0  0  0  0
 29 41  1  0  0  0  0
M  END

$$$$
D02MVR
  -OEChem-10101305022D

 29 31  0     0  0  0  0  0  0999 V2000
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  1  6  1  0  0  0  0
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  1 23  1  0  0  0  0
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  2 25  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3  9  2  0  0  0  0
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  4 16  1  0  0  0  0
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  5 11  2  0  0  0  0
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 10 13  2  0  0  0  0
 11 24  1  0  0  0  0
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 13 15  1  0  0  0  0
 13 27  1  0  0  0  0
 14 15  2  0  0  0  0
 14 28  1  0  0  0  0
 15 29  1  0  0  0  0
M  END

$$$$
D02MXT
  -OEChem-10191523012D

 74 78  0     0  0  0  0  0  0999 V2000
   11.0769   -0.4524    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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   12.8089    0.5476    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 30 35  2  0  0  0  0
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 45 73  1  0  0  0  0
 45 74  1  0  0  0  0
M  END

$$$$
D02MYV
  -OEChem-10191522132D

 41 43  0     1  0  0  0  0  0999 V2000
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 13 33  1  0  0  0  0
 13 34  1  0  0  0  0
 14 17  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 17  1  0  0  0  0
 16 18  2  0  0  0  0
 17 19  2  0  0  0  0
 18 20  1  0  0  0  0
 18 38  1  0  0  0  0
 19 21  1  0  0  0  0
 20 21  2  0  0  0  0
 22 23  1  0  0  0  0
 22 39  1  0  0  0  0
 22 40  1  0  0  0  0
M  END

$$$$
D02MZN
  -OEChem-10101305022D

 63 66  0     1  0  0  0  0  0999 V2000
    9.1857    2.1128    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4586   -1.3745    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5357   -2.1948    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9586   -0.5085    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.9288    0.8575    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.9288   -0.1425    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.0628   -0.6425    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.8750    1.1623    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.8750   -0.4472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4586    0.3575    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.1968   -0.1425    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.0628    1.3575    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9586   -0.5085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3433   -2.2406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.4037   -1.6981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4586   -1.3745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4586    0.3575    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4586   -1.3745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4586    0.3575    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0188   -0.9877    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8022   -1.0618    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4875    1.2585    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    9.8449    1.1147    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9329    0.2825    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4613    1.8325    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6643    1.8325    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9847    1.4401    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5862    0.7499    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2969   -2.2644    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6880   -1.5685    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5488    1.8575    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9288    2.4775    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3088    1.8575    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0413    0.5696    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3510    0.9681    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7835   -2.6877    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5818   -2.6846    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7924    2.2406    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.3457   -2.8606    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8787   -0.2970    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8760   -1.5866    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.5663   -1.9851    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.5663    0.9681    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8760    0.5696    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.8827    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.4586   -1.9945    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.0786   -1.3745    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.4586   -0.7545    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.4586   -0.2625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.0786    0.3575    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.4586    0.9775    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  8  1  1  1  0  0  0
  1 49  1  0  0  0  0
  2 21  2  0  0  0  0
  3 24  1  0  0  0  0
  3 57  1  0  0  0  0
  4 21  1  0  0  0  0
  4 25  1  0  0  0  0
  4 26  1  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  5 12  1  0  0  0  0
  5 15  1  1  0  0  0
  6  7  1  0  0  0  0
  6  9  1  0  0  0  0
  6 29  1  0  0  0  0
  7 11  1  0  0  0  0
  7 14  1  0  0  0  0
  7 30  1  0  0  0  0
  8 10  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 17  1  0  0  0  0
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 11 13  1  0  0  0  0
 11 16  1  0  0  0  0
 11 35  1  0  0  0  0
 12 13  1  0  0  0  0
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 13 38  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 42  1  0  0  0  0
 15 43  1  0  0  0  0
 15 44  1  0  0  0  0
 16 19  2  0  0  0  0
 16 20  1  0  0  0  0
 17 21  1  0  0  0  0
 17 45  1  0  0  0  0
 17 46  1  0  0  0  0
 18 19  1  0  0  0  0
 18 47  1  0  0  0  0
 18 48  1  0  0  0  0
 19 22  1  0  0  0  0
 20 23  2  0  0  0  0
 20 50  1  0  0  0  0
 22 24  2  0  0  0  0
 22 51  1  0  0  0  0
 23 24  1  0  0  0  0
 23 52  1  0  0  0  0
 25 27  1  0  0  0  0
 25 53  1  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
 26 56  1  0  0  0  0
 27 58  1  0  0  0  0
 27 59  1  0  0  0  0
 27 60  1  0  0  0  0
 28 61  1  0  0  0  0
 28 62  1  0  0  0  0
 28 63  1  0  0  0  0
M  END

$$$$
D02MZZ
  -OEChem-10101305032D

 31 32  0     0  0  0  0  0  0999 V2000
    4.5981    0.3100    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.5981    0.3100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5981    0.3100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.6900    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.1900    0.0000 N   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
    4.5981   -0.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.1900    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
    5.4641   -1.1900    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   -2.1900    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
    3.7320    2.8100    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    3.3100    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
    2.8660   -0.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951    1.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -0.8800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    3.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0201    0.7731    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    1.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6401    1.8469    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951    3.1200    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
    4.5981    3.9300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -3.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -2.3800    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  7  1  0  0  0  0
  4 13  1  0  0  0  0
  4 30  1  0  0  0  0
  4 31  1  0  0  0  0
  5 19  3  0  0  0  0
  6  8  1  0  0  0  0
  6 10  2  0  0  0  0
  7  9  1  0  0  0  0
  7 11  2  0  0  0  0
  8 12  2  0  0  0  0
  8 14  1  0  0  0  0
  9 13  2  0  0  0  0
  9 19  1  0  0  0  0
 10 15  1  0  0  0  0
 10 20  1  0  0  0  0
 11 16  1  0  0  0  0
 11 21  1  0  0  0  0
 12 17  1  0  0  0  0
 12 22  1  0  0  0  0
 13 18  1  0  0  0  0
 14 23  1  0  0  0  0
 14 24  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 27  1  0  0  0  0
 17 28  1  0  0  0  0
 18 29  1  0  0  0  0
M  END

$$$$
D02NAF
  BIDD-NUS20110812001D

 42 46  0     1  0            999 V2000
   10.4240   -8.1436    0.0000 C   0  0  0  0  0  0           0  0  0
   10.8370   -6.8710    0.0000 C   0  0  2  0  0  0           0  0  0
   10.1711   -7.3583    0.0000 C   0  0  0  0  0  0           0  0  0
   10.0131   -6.8710    0.0000 C   0  0  0  0  0  0           0  0  0
   11.0186   -6.0649    0.0000 N   0  0  0  0  0  0           0  0  0
   11.8134   -5.8762    0.0000 C   0  0  0  0  0  0           0  0  0
   11.8103   -5.0535    0.0000 C   0  0  1  0  0  0           0  0  0
   10.9986   -4.8708    0.0000 N   0  0  0  0  0  0           0  0  0
   10.8090   -4.0727    0.0000 C   0  0  0  0  0  0           0  0  0
    9.0042   -5.0597    0.0000 C   0  0  0  0  0  0           0  0  0
    9.0116   -5.8819    0.0000 C   0  0  1  0  0  0           0  0  0
    9.8240   -6.0581    0.0000 N   0  0  0  0  0  0           0  0  0
    9.4995   -7.5179    0.0000 O   0  0  0  0  0  0           0  0  0
   11.3209   -3.4242    0.0000 O   0  0  0  0  0  0           0  0  0
   12.4543   -4.5363    0.0000 C   0  0  0  0  0  0           0  0  0
   12.4625   -6.3872    0.0000 O   0  0  0  0  0  0           0  0  0
   13.1755   -4.9392    0.0000 C   0  0  0  0  0  0           0  0  0
   13.8849   -4.5161    0.0000 C   0  0  0  0  0  0           0  0  0
   14.6062   -4.9190    0.0000 C   0  0  0  0  0  0           0  0  0
   15.3156   -4.4959    0.0000 C   0  0  0  0  0  0           0  0  0
   16.0369   -4.8988    0.0000 S   0  0  0  0  0  0           0  0  0
   16.7463   -4.4757    0.0000 S   0  0  0  0  0  0           0  0  0
   17.4676   -4.8786    0.0000 C   0  0  0  0  0  0           0  0  0
   17.4744   -5.7051    0.0000 N   0  0  0  0  0  0           0  0  0
   18.1947   -6.1080    0.0000 C   0  0  0  0  0  0           0  0  0
   18.9052   -5.6847    0.0000 C   0  0  0  0  0  0           0  0  0
   18.8909   -4.8545    0.0000 C   0  0  0  0  0  0           0  0  0
   18.1699   -4.4554    0.0000 C   0  0  0  0  0  0           0  0  0
    8.3708   -6.4033    0.0000 C   0  0  0  0  0  0           0  0  0
   10.4471   -3.3878    0.0000 H   0  0  0  0  0  0           0  0  0
   11.5072   -7.3583    0.0000 C   0  0  0  0  0  0           0  0  0
   11.2502   -8.1423    0.0000 C   0  0  0  0  0  0           0  0  0
   11.8000   -8.7547    0.0000 C   0  0  0  0  0  0           0  0  0
   12.6070   -8.5845    0.0000 C   0  0  0  0  0  0           0  0  0
   12.8612   -7.7964    0.0000 C   0  0  0  0  0  0           0  0  0
   12.3097   -7.1873    0.0000 C   0  0  0  0  0  0           0  0  0
    9.7919   -4.8746    0.0000 N   0  0  3  0  0  0           0  0  0
   10.0383   -4.1054    0.0000 C   0  0  2  0  0  0           0  0  0
    9.3829   -3.6334    0.0000 C   0  0  0  0  0  0           0  0  0
    8.7313   -4.1109    0.0000 C   0  0  0  0  0  0           0  0  0
    8.9843   -4.8779    0.0000 C   0  0  0  0  0  0           0  0  0
    8.2025   -4.8397    0.0000 O   0  0  0  0  0  0           0  0  0
  5  6  1  0     0  0
 19 20  1  0     0  0
  6  7  1  0     0  0
 20 21  1  0     0  0
  7  8  1  0     0  0
 21 22  1  0     0  0
  8  9  1  0     0  0
 22 23  1  0     0  0
  9 38  1  0     0  0
 23 24  2  0     0  0
 37 10  1  0     0  0
 24 25  1  0     0  0
 10 11  1  0     0  0
 25 26  2  0     0  0
 11 12  1  0     0  0
 26 27  1  0     0  0
 12  4  1  0     0  0
 27 28  2  0     0  0
 28 23  1  0     0  0
  3  1  1  0     0  0
 11 29  1  1     0  0
  4 13  2  0     0  0
 38 30  1  1     0  0
  1 32  1  0     0  0
  9 14  2  0     0  0
 31 32  2  0     0  0
 32 33  1  0     0  0
  7 15  1  1     0  0
 33 34  2  0     0  0
  2 31  1  1     0  0
 34 35  1  0     0  0
  6 16  2  0     0  0
 35 36  2  0     0  0
 36 31  1  0     0  0
 37 38  1  0     0  0
  2  3  1  0     0  0
 15 17  1  0     0  0
  4  2  1  0     0  0
 17 18  1  0     0  0
  2  5  1  0     0  0
 38 39  1  0     0  0
 39 40  1  0     0  0
 40 41  1  0     0  0
 41 37  1  0     0  0
 18 19  1  0     0  0
 10 42  2  0     0  0
M  ENDM  END

$$$$
D02NAG
  -OEChem-10101305032D

 29 31  0     0  0  0  0  0  0999 V2000
    2.0000   -2.0591    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    8.4798    0.3643    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5443   -1.8638    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1279   -1.0591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.5591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5443   -0.2544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  5  7  2  0  0  0  0
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  6 10  2  0  0  0  0
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  8 11  2  0  0  0  0
  8 22  1  0  0  0  0
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 10 13  1  0  0  0  0
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 13 15  2  0  0  0  0
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 14 26  1  0  0  0  0
 15 27  1  0  0  0  0
 16 17  1  0  0  0  0
 16 28  1  0  0  0  0
 17 29  1  0  0  0  0
M  END

$$$$
D02NAW
  BIDD-NUS20110812001D

 36 40  0  0  0  0  0  0  0  0999 V2000
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   23.8458  -10.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   25.2756   -9.7322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   21.6997  -10.1360    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   21.6979   -8.4830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.4133   -8.8922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  8  9  1  0  0  0  0 
 17 18  1  0  0  0  0 
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 18 19  2  0  0  0  0 
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 10  7  1  0  0  0  0 
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 22 23  2  0  0  0  0 
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 23 24  1  0  0  0  0 
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 25 26  1  0  0  0  0 
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 27 22  1  0  0  0  0 
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 27 28  1  0  0  0  0 
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 15 30  1  0  0  0  0 
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 30 31  1  0  0  0  0 
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 31 32  1  0  0  0  0 
 14 15  1  0  0  0  0 
 31 33  2  0  0  0  0 
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 32 34  1  0  0  0  0 
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 32 35  1  0  0  0  0 
 16 17  2  0  0  0  0 
 32 36  1  0  0  0  0 
M  ENDM  END

$$$$
D02NBB
  -OEChem-10101305022D

 37 40  0     0  0  0  0  0  0999 V2000
    3.4600    3.2249    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9487   -3.6378    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
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  1 18  1  0  0  0  0
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  2  9  1  0  0  0  0
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  8 37  1  0  0  0  0
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 10 13  1  0  0  0  0
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 11 12  1  0  0  0  0
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 14 28  1  0  0  0  0
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 16 29  1  0  0  0  0
 17 21  2  0  0  0  0
 17 30  1  0  0  0  0
 18 23  2  0  0  0  0
 20 22  2  0  0  0  0
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 23 24  1  0  0  0  0
 23 33  1  0  0  0  0
 24 25  2  0  0  0  0
 24 34  1  0  0  0  0
 25 35  1  0  0  0  0
M  CHG  2   2  -1   9   1
M  END

$$$$
D02NCO
  -OEChem-10111523232D

 84 88  0     1  0  0  0  0  0999 V2000
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M  END

$$$$
D02NCW
  -OEChem-10101305022D

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M  END

$$$$
D02NCY
  -OEChem-10101305022D

 24 25  0     0  0  0  0  0  0999 V2000
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  1 16  1  0  0  0  0
  2 12  2  0  0  0  0
  3 13  2  0  0  0  0
  4  7  1  0  0  0  0
  4  8  1  0  0  0  0
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  6 12  1  0  0  0  0
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  6 22  1  0  0  0  0
  7  9  2  0  0  0  0
  8 10  2  0  0  0  0
  8 11  1  0  0  0  0
  9 13  1  0  0  0  0
  9 19  1  0  0  0  0
 10 14  1  0  0  0  0
 10 20  1  0  0  0  0
 11 15  2  0  0  0  0
 11 21  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
M  END

$$$$
D02NED
  -OEChem-10101305022D

 45 48  0     0  0  0  0  0  0999 V2000
    6.3290    0.8456    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8591   -0.1303    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.5806    0.8802    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9702   -3.0983    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8718    2.9001    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    5.4629   -0.6544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1950   -1.6544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5690   -2.1891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.9638   -3.0787    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3290   -0.1544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6629   -1.6752    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.3412    2.2754    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8905    4.5200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   10.3972   -0.4382    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 14  2  0  0  0  0
  2 23  1  0  0  0  0
  2 45  1  0  0  0  0
  3  7  1  0  0  0  0
  3  9  1  0  0  0  0
  3 13  1  0  0  0  0
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  7  8  1  0  0  0  0
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  8 14  1  0  0  0  0
  9 12  2  0  0  0  0
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 10 15  1  0  0  0  0
 11 16  1  0  0  0  0
 12 14  1  0  0  0  0
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 13 21  1  0  0  0  0
 15 16  2  0  0  0  0
 15 26  1  0  0  0  0
 16 27  1  0  0  0  0
 17 20  1  0  0  0  0
 17 29  1  0  0  0  0
 17 30  1  0  0  0  0
 18 22  2  0  0  0  0
 18 31  1  0  0  0  0
 19 23  2  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
 21 35  1  0  0  0  0
 21 36  1  0  0  0  0
 21 37  1  0  0  0  0
 22 23  1  0  0  0  0
 22 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 42  1  0  0  0  0
 25 43  1  0  0  0  0
 25 44  1  0  0  0  0
M  END

$$$$
D02NGU
  -OEChem-10191522122D

 33 34  0     0  0  0  0  0  0999 V2000
    4.2690    0.4827    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.2690    0.4827    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2690    0.4827    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -0.5173    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -2.5173    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.9350    3.0035    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    1.4827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    1.9827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -1.0173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    2.9827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -2.0173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    1.9827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0290    1.4480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.5369   -3.5173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.1569   -3.5173    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  4  1  0  0  0  0
  1  7  1  0  0  0  0
  4  9  1  0  0  0  0
  4 21  1  0  0  0  0
  5 11  1  0  0  0  0
  5 18  1  0  0  0  0
  5 29  1  0  0  0  0
  6 16  2  0  0  0  0
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  7 12  2  0  0  0  0
  8 10  2  0  0  0  0
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 10 13  1  0  0  0  0
 10 16  1  0  0  0  0
 11 22  1  0  0  0  0
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 13 15  2  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 27  1  0  0  0  0
 16 28  1  0  0  0  0
 17 30  1  0  0  0  0
 18 31  1  0  0  0  0
 18 32  1  0  0  0  0
 18 33  1  0  0  0  0
M  END

$$$$
D02NHS
  -OEChem-10101305022D

 56 58  0     0  0  0  0  0  0999 V2000
    3.7320    0.4050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8660    6.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1 14  2  0  0  0  0
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  3  9  1  0  0  0  0
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 13 14  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
 17 22  2  0  0  0  0
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 18 21  2  0  0  0  0
 18 24  1  0  0  0  0
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 20 44  1  0  0  0  0
 21 26  1  0  0  0  0
 22 27  1  0  0  0  0
 22 45  1  0  0  0  0
 23 28  2  0  0  0  0
 23 46  1  0  0  0  0
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 25 29  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 30  2  0  0  0  0
 27 52  1  0  0  0  0
 28 30  1  0  0  0  0
 28 53  1  0  0  0  0
 30 54  1  0  0  0  0
M  END

$$$$
D02NHZ
  -OEChem-10101305022D

 34 36  0     0  0  0  0  0  0999 V2000
    2.8660   -1.7673    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1 17  1  0  0  0  0
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 10 14  2  0  0  0  0
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 12 24  1  0  0  0  0
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 16 28  1  0  0  0  0
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 18 31  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
M  END

$$$$
D02NJV
  -OEChem-10101305022D

176182  0     1  0  0  0  0  0999 V2000
    4.9538    1.7168    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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 90173  1  0  0  0  0
 91 92  1  0  0  0  0
 91174  1  0  0  0  0
 92175  1  0  0  0  0
M  END

$$$$
D02NKD
  -OEChem-10101305022D

 38 41  0     0  0  0  0  0  0999 V2000
    3.7320   -3.7500    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2241    0.2153    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.7500    0.0000 N   0  3  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
    6.3301    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    1.7500    0.0000 C   0  0  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
    5.4641   -0.7500    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
    3.7320    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  5  1  0  0  0  0
  2  5  2  0  0  0  0
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 24 37  1  0  0  0  0
 25 38  1  0  0  0  0
M  CHG  2   1  -1   5   1
M  END

$$$$
D02NKV
  -OEChem-10101305032D

 39 42  0     0  0  0  0  0  0999 V2000
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M  END

$$$$
D02NMK
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 71147  1  0  0  0  0
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 80158  1  0  0  0  0
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 81159  1  0  0  0  0
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 82160  1  0  0  0  0
 83 84  1  0  0  0  0
 83161  1  0  0  0  0
 84162  1  0  0  0  0
M  END

$$$$
D02NMN
  -OEChem-10191521502D

 40 43  0     0  0  0  0  0  0999 V2000
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    6.9863    3.5516    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6720    2.6750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    7.9237    0.6289    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9331    2.5970    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6087    1.4137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.2997    2.3647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9177    2.3647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2937    0.6289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.6040    2.0400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.3142    0.8376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.2420    1.9595    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
  1 11  1  0  0  0  0
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  3 23  1  0  0  0  0
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 10 13  1  0  0  0  0
 12 16  1  0  0  0  0
 14 18  2  0  0  0  0
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 17 30  1  0  0  0  0
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 18 31  1  0  0  0  0
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 19 32  1  0  0  0  0
 20 24  1  0  0  0  0
 20 33  1  0  0  0  0
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 21 23  2  0  0  0  0
 21 35  1  0  0  0  0
 22 23  1  0  0  0  0
 22 36  1  0  0  0  0
 24 26  3  0  0  0  0
 25 37  1  0  0  0  0
 25 38  1  0  0  0  0
 25 39  1  0  0  0  0
 26 40  1  0  0  0  0
M  END

$$$$
D02NMY
  -OEChem-10101305022D

 31 33  0     0  0  0  0  0  0999 V2000
    9.5312    1.7568    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
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  1 17  1  0  0  0  0
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 15 17  2  0  0  0  0
 15 30  1  0  0  0  0
 16 17  1  0  0  0  0
 16 31  1  0  0  0  0
M  END

$$$$
D02NNS
  -OEChem-10101305032D

 58 61  0     1  0  0  0  0  0999 V2000
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 15 42  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  6  0  0  0
 18 43  1  0  0  0  0
 19 44  1  0  0  0  0
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 20 48  1  0  0  0  0
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 22 23  1  0  0  0  0
 22 49  1  0  0  0  0
 22 50  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
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 25 26  1  0  0  0  0
 25 27  2  0  0  0  0
 26 29  2  0  0  0  0
 27 28  1  0  0  0  0
 27 57  1  0  0  0  0
 28 30  2  0  0  0  0
 29 30  1  0  0  0  0
 29 58  1  0  0  0  0
M  END

$$$$
D02NNT
  -OEChem-10191521522D

 41 43  0     1  0  0  0  0  0999 V2000
    9.7942    2.4239    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.0761    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.4239    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    0.4239    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942    0.4239    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.5761    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.2942   -2.1149    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.9852   -1.1639    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    2.9239    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    7.1962    0.9239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.3804   -3.2884    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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 10  3  1  6  0  0  0
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 23 37  1  0  0  0  0
 25 39  1  0  0  0  0
 25 40  1  0  0  0  0
 25 41  1  0  0  0  0
M  END

$$$$
D02NNU
  -OEChem-10191521542D

 39 43  0     1  0  0  0  0  0999 V2000
    8.2073   -4.2689    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.1332    2.0672    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.7702    4.2689    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1603    0.1283    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7702    2.1996    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.5631   -0.6225    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    5.1186    0.4337    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    4.6641    2.7343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 25 39  1  0  0  0  0
M  END

$$$$
D02NQB
  -OEChem-10191522192D

 53 54  0     1  0  0  0  0  0999 V2000
    2.5369   -0.6900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 10 12  1  1  0  0  0
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 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 52  1  0  0  0  0
M  END

$$$$
D02NQK
  -OEChem-10101305032D

 27 28  0     0  0  0  0  0  0999 V2000
    6.3301    0.8450    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.1550    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.3301    0.8450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3301    0.8450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.1550    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.6550    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    6.3301    1.8450    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
    6.3301   -0.1550    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
    3.7320   -0.6550    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
    7.1962   -0.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -2.1550    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
    2.8660   -2.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.6550    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
    7.7331   -0.3450    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9272   -1.9650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -2.7750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.4650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    2.1550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7932    2.1550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.7750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -0.3450    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -1.9650    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
  1  7  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
  5  6  1  0  0  0  0
  6 11  1  0  0  0  0
  6 16  2  0  0  0  0
  7 23  1  0  0  0  0
  7 24  1  0  0  0  0
  8 13  2  0  0  0  0
  8 14  1  0  0  0  0
  9 10  2  0  0  0  0
  9 13  1  0  0  0  0
 10 12  1  0  0  0  0
 11 15  2  0  0  0  0
 12 14  2  0  0  0  0
 12 20  1  0  0  0  0
 13 19  1  0  0  0  0
 14 21  1  0  0  0  0
 15 17  1  0  0  0  0
 15 22  1  0  0  0  0
 16 18  1  0  0  0  0
 16 25  1  0  0  0  0
 17 18  2  0  0  0  0
 17 26  1  0  0  0  0
 18 27  1  0  0  0  0
M  CHG  2   5  -1   6   1
M  END

$$$$
D02NRI
  -OEChem-10101305022D

 45 48  0     0  0  0  0  0  0999 V2000
    6.3582    0.1005    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5022    2.1690    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8687    1.0048    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1418   -0.1752    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8550    1.6338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8609    1.6312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5545    0.6855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1640    0.6827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5453    0.4538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5241    2.3769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1421    0.4748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1793    2.4107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8113    1.2180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2482   -0.5011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8459    1.2173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1650    2.2024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4487   -0.5207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8334    1.0171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2727   -0.7211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4659   -0.7451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1629    0.0290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9755   -1.6759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.8960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6538   -2.4107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1961    1.7448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7564    2.9518    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9983    2.7055    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3772    2.9983    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2775   -1.1204    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8631   -0.5797    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7515    2.6644    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0285   -0.9766    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2429    1.4826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8521   -0.2656    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6552   -1.3355    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8636   -1.2912    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1982   -2.8313    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0744   -2.8663    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1094   -1.9902    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3952   -2.0324    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1364   -2.5008    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6549    2.1618    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7791    2.2035    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7373    1.3277    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3357   -0.7641    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 10  1  0  0  0  0
  2 13  1  0  0  0  0
  3 15  1  0  0  0  0
  3 25  1  0  0  0  0
  4 21  1  0  0  0  0
  4 45  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  7  2  0  0  0  0
  6 12  1  0  0  0  0
  7  9  1  0  0  0  0
  8 11  1  0  0  0  0
  9 14  1  0  0  0  0
  9 15  2  0  0  0  0
 10 26  1  0  0  0  0
 10 27  1  0  0  0  0
 11 13  2  0  0  0  0
 11 17  1  0  0  0  0
 12 16  2  0  0  0  0
 12 28  1  0  0  0  0
 13 18  1  0  0  0  0
 14 19  1  0  0  0  0
 14 29  1  0  0  0  0
 14 30  1  0  0  0  0
 15 16  1  0  0  0  0
 16 31  1  0  0  0  0
 17 20  2  0  0  0  0
 17 32  1  0  0  0  0
 18 21  2  0  0  0  0
 18 33  1  0  0  0  0
 19 22  2  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
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
 23 36  1  0  0  0  0
 23 40  1  0  0  0  0
 23 41  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 42  1  0  0  0  0
 25 43  1  0  0  0  0
 25 44  1  0  0  0  0
M  END

$$$$
D02NRP
  -OEChem-04152122322D

 70 72  0     1  0  0  0  0  0999 V2000
    8.5991    0.8217    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
    6.0010   -3.6783    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
    7.7331   -0.6783    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
    6.8671   -2.1783    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
    4.2690   -7.6783    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   10.4357    3.8162    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9084    3.0536    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4526    1.4368    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -4.6783    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651    1.3217    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -4.6783    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -6.6783    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -6.6783    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2383    5.6422    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -3.6783    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    0.3217    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.0408    7.6783    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0991    1.6877    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -2.6783    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0991   -0.0443    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0010   -3.6783    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0010   -3.6783    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331   -1.6783    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7331   -0.6783    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3671   -1.3123    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7331   -0.6783    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3671   -3.0443    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6395    6.6602    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.4138    4.0241    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   11.9138    3.1581    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.2447    2.4150    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.3312    2.8217    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.8206    4.9377    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    9.4651    2.3217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -6.1783    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.2328    5.7467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8151    5.0422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -6.6783    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.4030   -5.1783    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.1350   -6.1783    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.1350   -5.1783    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   13.2218    5.9558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -4.6783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6341    6.7648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8789    4.6847    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.2515    3.6781    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8436    2.2545    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8112    3.1594    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.1850    4.4361    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2531    2.9043    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8546    2.2140    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -5.8683    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8059   -6.9883    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.1795    4.5406    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   11.2751    7.1618    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.8384    6.0206    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -7.2983    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -7.2983    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.3683    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4791    1.6877    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3110   -4.2152    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0431   -1.2152    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7471   -1.3123    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
  1 16  1  0  0  0  0
  1 18  1  0  0  0  0
  1 20  2  0  0  0  0
  2 11  1  0  0  0  0
  2 19  1  0  0  0  0
  2 21  1  0  0  0  0
  2 22  2  0  0  0  0
  3 16  1  0  0  0  0
  3 23  1  0  0  0  0
  3 24  1  0  0  0  0
  3 26  2  0  0  0  0
  4 19  1  0  0  0  0
  4 23  1  0  0  0  0
  4 25  1  0  0  0  0
  4 27  2  0  0  0  0
 38  5  1  1  0  0  0
  6 29  1  0  0  0  0
  6 32  1  0  0  0  0
 30  7  1  6  0  0  0
  7 57  1  0  0  0  0
 31  8  1  6  0  0  0
  8 58  1  0  0  0  0
  9 39  1  0  0  0  0
  9 41  1  0  0  0  0
 10 34  1  0  0  0  0
 41 11  1  6  0  0  0
 35 12  1  6  0  0  0
 12 64  1  0  0  0  0
 40 13  1  6  0  0  0
 13 65  1  0  0  0  0
 14 36  2  0  0  0  0
 15 43  1  0  0  0  0
 15 66  1  0  0  0  0
 17 44  2  0  0  0  0
 18 67  1  0  0  0  0
 21 68  1  0  0  0  0
 24 69  1  0  0  0  0
 25 70  1  0  0  0  0
 28 36  1  0  0  0  0
 28 44  1  0  0  0  0
 28 62  1  0  0  0  0
 29 30  1  0  0  0  0
 29 33  1  0  0  0  0
 29 45  1  6  0  0  0
 30 31  1  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
 32 34  1  1  0  0  0
 32 48  1  0  0  0  0
 33 36  1  0  0  0  0
 33 37  1  0  0  0  0
 33 49  1  0  0  0  0
 34 50  1  0  0  0  0
 34 51  1  0  0  0  0
 35 38  1  0  0  0  0
 35 39  1  0  0  0  0
 35 52  1  0  0  0  0
 37 42  2  0  0  0  0
 37 54  1  0  0  0  0
 38 40  1  0  0  0  0
 38 53  1  0  0  0  0
 39 43  1  1  0  0  0
 39 55  1  0  0  0  0
 40 41  1  0  0  0  0
 40 56  1  0  0  0  0
 41 59  1  0  0  0  0
 42 44  1  0  0  0  0
 42 63  1  0  0  0  0
 43 60  1  0  0  0  0
 43 61  1  0  0  0  0
M  END

$$$$
D02NRY
  -OEChem-10101305032D

 24 25  0     0  0  0  0  0  0999 V2000
    6.0875    2.8080    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.6920    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.6920    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5116    0.2853    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.8080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.3080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.1920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.3080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.3080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.8080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.3080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.8080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7026    1.6865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6808    1.8944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1808    1.0284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -0.9980    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -2.6180    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   -0.2711    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -0.4980    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -1.3449    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -2.6180    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.4280    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2419    2.1014    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7974    0.9636    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 14  1  0  0  0  0
  2  7  2  0  0  0  0
  3  4  1  0  0  0  0
  3  7  1  0  0  0  0
  3 13  1  0  0  0  0
  4 15  2  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5  8  2  0  0  0  0
  6  9  2  0  0  0  0
  6 10  1  0  0  0  0
  8 11  1  0  0  0  0
  8 16  1  0  0  0  0
  9 12  1  0  0  0  0
  9 17  1  0  0  0  0
 10 18  1  0  0  0  0
 10 19  1  0  0  0  0
 10 20  1  0  0  0  0
 11 12  2  0  0  0  0
 11 21  1  0  0  0  0
 12 22  1  0  0  0  0
 13 14  2  0  0  0  0
 13 23  1  0  0  0  0
 14 15  1  0  0  0  0
 15 24  1  0  0  0  0
M  END

$$$$
D02NSY
  -OEChem-10191521422D

 67 71  0     1  0  0  0  0  0999 V2000
    5.3364    3.2772    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3934   -3.8106    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6613    2.1894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3934    2.1894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6613    1.1894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3934    1.1894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7183    3.2772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.3934   -0.8106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7029    3.0450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2300   -4.8051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.3424    5.0130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.8922   -2.4768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3569   -0.8295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1001   -1.4986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0040    2.0818    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4493    2.7720    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0040    1.2971    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.3153   -0.8932    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6338    4.3572    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9626    4.8449    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1579   -3.1914    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0040   -0.9182    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6054   -0.2280    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6100   -4.8051    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1652   -5.4217    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    8.0165   -5.6027    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   11.3529   -2.8916    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4858   -0.2231    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.6897   -1.3070    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1 14  1  0  0  0  0
  2 23  2  0  0  0  0
  3  9  1  0  0  0  0
  3 10  1  0  0  0  0
  3 13  1  0  0  0  0
  4 15  1  0  0  0  0
  4 20  1  0  0  0  0
  4 24  1  0  0  0  0
  5 22  1  0  0  0  0
  5 23  1  0  0  0  0
  5 61  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 34  1  0  0  0  0
  7 35  1  0  0  0  0
  8 10  1  0  0  0  0
  8 33  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  1  0  0  0  0
 11 17  2  0  0  0  0
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 12 21  2  0  0  0  0
 13 16  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 18  1  0  0  0  0
 15 23  1  6  0  0  0
 15 45  1  0  0  0  0
 16 22  1  0  0  0  0
 16 46  1  0  0  0  0
 16 47  1  0  0  0  0
 17 25  1  0  0  0  0
 17 50  1  0  0  0  0
 18 19  1  0  0  0  0
 18 48  1  0  0  0  0
 18 49  1  0  0  0  0
 19 20  1  0  0  0  0
 19 51  1  0  0  0  0
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 20 53  1  0  0  0  0
 20 54  1  0  0  0  0
 21 26  1  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
 24 27  1  0  0  0  0
 24 58  1  0  0  0  0
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 25 26  2  0  0  0  0
 25 60  1  0  0  0  0
 26 62  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 63  1  0  0  0  0
 29 31  2  0  0  0  0
 29 64  1  0  0  0  0
 30 32  2  0  0  0  0
 30 65  1  0  0  0  0
 31 32  1  0  0  0  0
 31 66  1  0  0  0  0
 32 67  1  0  0  0  0
M  END

$$$$
D02NUR
  -OEChem-10101305022D

 34 34  0     1  0  0  0  0  0999 V2000
    5.4641   -2.9330    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.9330    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.5670    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.5670    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    2.0670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.5670    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.3301    2.5670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9641    2.9330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9641    1.2010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.0670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.0670    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
    2.8660   -1.4330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.4330    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
    3.7320   -2.9330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0611    1.8770    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1 15  1  0  0  0  0
  2 16  1  0  0  0  0
  3 10  2  0  0  0  0
  4  5  1  0  0  0  0
  4  6  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  9  1  0  0  0  0
  6 10  1  0  0  0  0
  6 11  1  0  0  0  0
  6 19  1  0  0  0  0
  7 20  1  0  0  0  0
  7 21  1  0  0  0  0
  7 22  1  0  0  0  0
  8 23  1  0  0  0  0
  8 24  1  0  0  0  0
  8 25  1  0  0  0  0
  9 26  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
 11 29  1  0  0  0  0
 11 30  1  0  0  0  0
 11 31  1  0  0  0  0
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 12 14  1  0  0  0  0
 13 16  1  0  0  0  0
 13 32  1  0  0  0  0
 14 15  2  0  0  0  0
 14 33  1  0  0  0  0
 15 17  1  0  0  0  0
 16 17  2  0  0  0  0
 17 34  1  0  0  0  0
M  END

$$$$
D02NVY
  BIDD-NUS20110812001D

 42 46  0     1  0            999 V2000
   -2.6238   -7.3348    0.0000 C   0  0  3  0  0  0           0  0  0
   -2.8422   -8.1306    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.7995   -7.2965    0.0000 C   0  0  0  0  0  0           0  0  0
   -3.4469   -7.3348    0.0000 C   0  0  0  0  0  0           0  0  0
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   -1.6485   -6.3411    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.6516   -5.5191    0.0000 C   0  0  1  0  0  0           0  0  0
   -2.4624   -5.3367    0.0000 N   0  0  0  0  0  0           0  0  0
   -2.6518   -4.5394    0.0000 C   0  0  0  0  0  0           0  0  0
   -4.4547   -5.5254    0.0000 C   0  0  0  0  0  0           0  0  0
   -4.4474   -6.3467    0.0000 C   0  0  1  0  0  0           0  0  0
   -3.6358   -6.5228    0.0000 N   0  0  0  0  0  0           0  0  0
   -3.9601   -7.9810    0.0000 O   0  0  0  0  0  0           0  0  0
   -2.1405   -3.8917    0.0000 O   0  0  0  0  0  0           0  0  0
   -1.0083   -5.0025    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.0001   -6.8515    0.0000 O   0  0  0  0  0  0           0  0  0
   -0.2879   -5.4050    0.0000 C   0  0  0  0  0  0           0  0  0
    0.4209   -4.9824    0.0000 C   0  0  0  0  0  0           0  0  0
    1.1413   -5.3848    0.0000 C   0  0  0  0  0  0           0  0  0
    1.8501   -4.9622    0.0000 C   0  0  0  0  0  0           0  0  0
    2.5705   -5.3647    0.0000 S   0  0  0  0  0  0           0  0  0
    3.2793   -4.9420    0.0000 S   0  0  0  0  0  0           0  0  0
    3.9997   -5.3445    0.0000 C   0  0  0  0  0  0           0  0  0
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 31 32  2  0     0  0
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 33 34  2  0     0  0
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 40 41  1  0     0  0
 41 37  1  0     0  0
 18 19  1  0     0  0
 10 42  2  0     0  0
M  ENDM  END

$$$$
D02NWF
  -OEChem-10101305022D

 38 41  0     0  0  0  0  0  0999 V2000
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 22 37  1  0  0  0  0
 23 38  1  0  0  0  0
M  END

$$$$
D02NWL
  -OEChem-10191521192D

 70 72  0     0  0  0  0  0  0999 V2000
    2.0000   -4.8450    0.0000 I  -2  0  0  0  0  0  0  0  0  0  0  0
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 29 30  1  0  0  0  0
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 33 34  2  0  0  0  0
 33 35  1  0  0  0  0
 35 68  1  0  0  0  0
M  ISO  1   1 125
M  END

$$$$
D02NWS
  -OEChem-10101305022D

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    3.5200    1.5226    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1215    0.8323    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
    4.2690   -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
    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
    4.0611    2.7500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    3.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  2  0  0  0  0
  2  3  1  0  0  0  0
  2 26  1  0  0  0  0
  3 10  1  0  0  0  0
  3 25  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4 14  1  0  0  0  0
  4 15  1  0  0  0  0
  5  7  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 18  1  0  0  0  0
  6 19  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  8 11  1  0  0  0  0
  8 20  1  0  0  0  0
  9 12  2  0  0  0  0
  9 21  1  0  0  0  0
 11 13  2  0  0  0  0
 11 22  1  0  0  0  0
 12 13  1  0  0  0  0
 12 23  1  0  0  0  0
 13 24  1  0  0  0  0
M  END

$$$$
D02NXQ
          05061001002D 1   1.00000     0.00000     0

 29 28  0     0  0            999 V2000
    3.7692   -2.6917    0.0000 O   0  0  0  0  0  0           0  0  0
    3.7743   -2.0126    0.0000 N   0  0  3  0  0  0           0  0  0
    4.1182   -1.4388    0.0000 C   0  0  0  0  0  0           0  0  0
    4.6983   -1.1054    0.0000 O   0  0  0  0  0  0           0  0  0
    2.3407   -1.2473    0.0000 C   0  0  0  0  0  0           0  0  0
    2.5201   -1.9569    0.0000 C   0  0  0  0  0  0           0  0  0
    3.5321   -1.1032    0.0000 N   0  0  3  0  0  0           0  0  0
    3.2461   -0.4481    0.0000 C   0  0  0  0  0  0           0  0  0
    2.8705   -1.4239    0.0000 C   0  0  3  0  0  0           0  0  0
    3.2408   -1.7007    0.0000 C   0  0  3  0  0  0           0  0  0
    1.6198   -1.2634    0.0000 N   0  0  3  0  0  0           0  0  0
    1.4154   -1.9443    0.0000 N   0  0  0  0  0  0           0  0  0
    1.9985   -2.3538    0.0000 C   0  0  0  0  0  0           0  0  0
    2.8667   -0.7459    0.0000 C   0  0  0  0  0  0           0  0  0
    2.2744   -0.4194    0.0000 N   0  0  0  0  0  0           0  0  0
    4.3634   -3.0378    0.0000 S   0  0  3  0  0  0           0  0  0
    4.9586   -2.7007    0.0000 O   0  5  0  0  0  0           0  0  0
    4.0126   -3.6333    0.0000 O   0  0  0  0  0  0           0  0  0
    4.7000   -3.6333    0.0000 O   0  0  0  0  0  0           0  0  0
    1.1907   -0.6998    0.0000 C   0  0  0  0  0  0           0  0  0
    5.3583   -3.3458    0.0000 Na  0  3  0  0  0  0           0  0  0
    7.1292   -2.5204    0.0000 F   0  0  0  0  0  0           0  0  0
    7.8375   -2.5204    0.0000 F   0  0  0  0  0  0           0  0  0
    7.4833   -1.9083    0.0000 C   0  0  3  0  0  0           0  0  0
    8.0968   -1.5542    0.0000 C   0  0  0  0  0  0           0  0  0
    8.7102   -1.9083    0.0000 O   0  5  0  0  0  0           0  0  0
    8.0968   -0.8458    0.0000 O   0  0  0  0  0  0           0  0  0
    6.8699   -1.5542    0.0000 F   0  0  0  0  0  0           0  0  0
    8.9792   -1.1625    0.0000 Na  0  3  0  0  0  0           0  0  0
  7  9  1  0     0  0
 14 15  1  0     0  0
  2 10  1  0     0  0
  1 16  1  0     0  0
  6 10  1  0     0  0
 16 17  1  0     0  0
  8 10  1  0     0  0
 16 18  2  0     0  0
  9  5  1  0     0  0
 16 19  2  0     0  0
  1  2  1  0     0  0
 11 20  1  0     0  0
  3  2  1  0     0  0
  5  6  2  0     0  0
  5 11  1  0     0  0
 11 12  1  0     0  0
 12 13  2  0     0  0
 13  6  1  0     0  0
  3  4  2  0     0  0
  7  8  1  0     0  0
  7  3  1  0     0  0
 24 23  1  0     0  0
 22 24  1  0     0  0
 24 25  1  0     0  0
 25 26  1  0     0  0
 25 27  2  0     0  0
 24 28  1  0     0  0
  9 14  1  0     0  0
M  CHG  4  17  -1  21   1  26  -1  29   1
M  END

$$$$
D02NZE
  -OEChem-10191521592D

 74 79  0     1  0  0  0  0  0999 V2000
   16.5892   -0.4489    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   13.5921   -3.2804    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   12.2304   -2.8986    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   12.6122   -1.5369    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.0468   -1.8742    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.1808   -0.3742    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.1369    0.5911    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
   13.1369    2.6605    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.3769    2.6258    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    4.4487   -0.3742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3147    1.1258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0000    1.4622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.9128   -0.3742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7788   -0.8742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9128    0.6258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6448    0.6258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2429    1.1258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0429    1.1050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6448   -0.3742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7788    1.1258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0429    2.1466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5109    1.1258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1253   -0.4088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2429    2.1258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3769    0.6258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9855   -0.9188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5109    2.1258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9739   -1.9187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8572   -0.4288    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8341   -2.4287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1022   -2.4087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7174   -0.9388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7059   -1.9387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9118    0.3158    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8381   -0.2665    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2366   -0.9568    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7133    1.6007    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9162    1.6007    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1675    0.3546    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9791    0.1821    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0982    2.1203    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5430    2.7369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4984    1.8266    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5851    1.0014    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6916    2.9179    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9336    2.5804    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    5.7133   -1.3492    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7913    0.5181    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   14.2520    0.5213    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.6538    1.2111    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   14.6538    2.0405    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   13.1297    3.2804    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9739    2.4358    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.8644    0.1911    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   16.2392   -2.2549    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 40  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 20  2  0  0  0  0
  6 11  1  0  0  0  0
  6 14  1  0  0  0  0
  6 15  1  0  0  0  0
  7 18  1  0  0  0  0
  7 19  1  0  0  0  0
  7 20  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 29  1  0  0  0  0
  9 32  1  0  0  0  0
  9 70  1  0  0  0  0
 10 32  1  0  0  0  0
 10 35  2  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 19  1  0  0  0  0
 12 43  1  0  0  0  0
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 13 18  1  0  0  0  0
 13 45  1  0  0  0  0
 13 46  1  0  0  0  0
 14 17  1  0  0  0  0
 14 49  1  0  0  0  0
 14 50  1  0  0  0  0
 15 16  1  0  0  0  0
 15 47  1  0  0  0  0
 15 48  1  0  0  0  0
 16 17  1  0  0  0  0
 16 51  1  0  0  0  0
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 17 53  1  0  0  0  0
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 18 57  1  0  0  0  0
 18 58  1  0  0  0  0
 19 55  1  0  0  0  0
 19 56  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 22 27  1  0  0  0  0
 22 59  1  0  0  0  0
 23 28  2  0  0  0  0
 23 60  1  0  0  0  0
 24 27  2  0  0  0  0
 24 28  1  0  0  0  0
 24 30  1  0  0  0  0
 25 32  2  0  0  0  0
 25 33  1  0  0  0  0
 26 29  1  0  0  0  0
 26 61  1  0  0  0  0
 26 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
 30 33  2  0  0  0  0
 30 35  1  0  0  0  0
 31 34  1  0  0  0  0
 31 67  1  0  0  0  0
 31 68  1  0  0  0  0
 33 69  1  0  0  0  0
 34 36  2  0  0  0  0
 34 37  1  0  0  0  0
 35 71  1  0  0  0  0
 36 38  1  0  0  0  0
 36 39  1  0  0  0  0
 37 40  2  0  0  0  0
 37 72  1  0  0  0  0
 38 41  2  0  0  0  0
 38 73  1  0  0  0  0
 40 41  1  0  0  0  0
 41 74  1  0  0  0  0
M  END

$$$$
D02NZG
  -OEChem-10101305032D

144146  0     1  0  0  0  0  0999 V2000
    7.5978    4.9405    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0619    3.9405    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9997    2.4405    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0771    0.7669    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6715   -0.9015    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   11.9279   -3.5595    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9280   -1.5594    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   10.1959   -0.5595    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    6.7318    3.4405    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.1959    5.4405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.5978    3.9405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1959    3.4405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8658    4.9405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END

$$$$
D02NZI
  -OEChem-04152109362D

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  1 23  1  0  0  0  0
  2 22  1  0  0  0  0
  3 22  1  0  0  0  0
  4 22  1  0  0  0  0
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 10 27  1  0  0  0  0
 10 54  1  0  0  0  0
 10 55  1  0  0  0  0
 11 12  1  0  0  0  0
 11 14  1  0  0  0  0
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 12 13  1  0  0  0  0
 12 16  2  0  0  0  0
 13 19  2  0  0  0  0
 15 18  1  0  0  0  0
 15 33  1  0  0  0  0
 15 34  1  0  0  0  0
 16 20  1  0  0  0  0
 16 22  1  0  0  0  0
 17 23  1  0  0  0  0
 17 24  2  0  0  0  0
 18 35  1  0  0  0  0
 18 36  1  0  0  0  0
 19 21  1  0  0  0  0
 19 37  1  0  0  0  0
 20 21  2  0  0  0  0
 20 38  1  0  0  0  0
 21 27  1  0  0  0  0
 23 28  2  0  0  0  0
 24 29  1  0  0  0  0
 24 40  1  0  0  0  0
 25 30  1  0  0  0  0
 25 41  1  0  0  0  0
 25 42  1  0  0  0  0
 26 31  1  0  0  0  0
 26 43  1  0  0  0  0
 26 44  1  0  0  0  0
 28 32  1  0  0  0  0
 28 45  1  0  0  0  0
 29 32  2  0  0  0  0
 29 46  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 50  1  0  0  0  0
 31 51  1  0  0  0  0
 31 52  1  0  0  0  0
 32 53  1  0  0  0  0
M  END

$$$$
D02OAB
  -OEChem-10101305032D

 15 16  0     0  0  0  0  0  0999 V2000
    2.0000   -1.1970    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    5.5443    0.6077    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1279   -0.1970    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.6970    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    0.8030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5443   -1.0018    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    0.3030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.8170    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.4230    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7369   -1.5911    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7369    1.1970    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291    0.6130    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  2  3  1  0  0  0  0
  2  5  1  0  0  0  0
  2 14  1  0  0  0  0
  3  8  2  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  4  8  1  0  0  0  0
  5  7  1  0  0  0  0
  6  9  2  0  0  0  0
  6 11  1  0  0  0  0
  7 10  2  0  0  0  0
  7 12  1  0  0  0  0
  8 13  1  0  0  0  0
  9 10  1  0  0  0  0
 10 15  1  0  0  0  0
M  END

$$$$
D02OAI
  -OEChem-10191521372D

 52 54  0     0  0  0  0  0  0999 V2000
    8.0622   -3.6550    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.3450    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    3.3450    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -2.6550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    0.8450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    3.3450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.8450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.6550    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.8222   -0.6203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8222   -2.6897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7282   -1.1342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7282   -2.1758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.9282   -2.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3121    0.2514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3122    0.2398    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3121   -3.5614    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3122   -3.5498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -0.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -2.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -1.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -2.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    2.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3391   -1.2403    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9373   -0.5505    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9373   -2.7595    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3391   -2.0697    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8526   -0.0524    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8455    0.5560    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   10.8526   -3.2576    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.3291    3.6550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 20  1  0  0  0  0
  2 27  1  0  0  0  0
  3 28  1  0  0  0  0
  4 22  1  0  0  0  0
  4 49  1  0  0  0  0
  5 23  2  0  0  0  0
  6 30  1  0  0  0  0
  6 52  1  0  0  0  0
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  8 21  1  0  0  0  0
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  8 48  1  0  0  0  0
  9 11  1  0  0  0  0
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 10 12  1  0  0  0  0
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 11 31  1  0  0  0  0
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 13 14  1  0  0  0  0
 13 19  2  0  0  0  0
 14 20  2  0  0  0  0
 15 35  1  0  0  0  0
 15 39  1  0  0  0  0
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 16 36  1  0  0  0  0
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 17 43  1  0  0  0  0
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 18 46  1  0  0  0  0
 19 21  1  0  0  0  0
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 20 22  1  0  0  0  0
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 23 24  1  0  0  0  0
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 25 28  1  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 29  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
M  END

$$$$
D02OAJ
  -OEChem-10191522482D

 44 45  0     1  0  0  0  0  0999 V2000
    9.2465   -4.4139    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.8909   -2.4172    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
    8.4732   -3.1217    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
   10.0555   -3.8262    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    5.0298    0.0474    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1330   -1.7127    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4608    0.3564    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3031   -1.6082    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4888    1.6352    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4787   -3.2262    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6999   -1.8294    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0819   -3.0050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2208    4.6352    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4677   -3.0171    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5778   -4.1162    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3687   -2.1271    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6433   -4.6352    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8645   -3.2384    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2208    1.6352    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3548    3.1352    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   11.2599   -4.5704    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1  4  2  0  0  0  0
  2  8  1  0  0  0  0
  2 10  1  0  0  0  0
  2 11  1  0  0  0  0
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 21  6  1  1  0  0  0
  6 36  1  0  0  0  0
 22  7  1  1  0  0  0
  7 37  1  0  0  0  0
  8 25  1  0  0  0  0
  9 26  2  0  0  0  0
 11 41  1  0  0  0  0
 13 29  2  0  0  0  0
 15 42  1  0  0  0  0
 17 43  1  0  0  0  0
 18 44  1  0  0  0  0
 24 19  1  6  0  0  0
 19 26  1  0  0  0  0
 19 27  1  0  0  0  0
 20 26  1  0  0  0  0
 20 29  1  0  0  0  0
 20 39  1  0  0  0  0
 21 22  1  0  0  0  0
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 21 30  1  0  0  0  0
 22 24  1  0  0  0  0
 22 31  1  0  0  0  0
 23 25  1  6  0  0  0
 23 32  1  0  0  0  0
 24 33  1  0  0  0  0
 25 34  1  0  0  0  0
 25 35  1  0  0  0  0
 27 28  2  0  0  0  0
 27 38  1  0  0  0  0
 28 29  1  0  0  0  0
 28 40  1  0  0  0  0
M  END

$$$$
D02OAS
 OpenBabel06211915332D

 31 33  0  0  0  0  0  0  0  0999 V2000
   -5.1962    4.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3301    4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000    1.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    1.7321   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8660   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5981    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5981    2.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4641    4.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4641    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8660    2.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7321    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3301    4.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3301    5.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1962    6.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4641    6.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 14  1  0  0  0  0
 12  7  1  0  0  0  0
 12 13  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 26  1  0  0  0  0
 19 20  1  0  0  0  0
 19 22  1  0  0  0  0
 20 21  2  0  0  0  0
 21 16  1  0  0  0  0
 22 23  1  0  0  0  0
 24 25  1  0  0  0  0
 24 28  1  0  0  0  0
 25 23  1  0  0  0  0
 26 27  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 29 31  2  0  0  0  0
M  END

$$$$
D02OBA
  -OEChem-10101305022D

 32 35  0     0  0  0  0  0  0999 V2000
    6.0812    1.3207    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1536    1.1564    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1648    2.9915    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    3.1254    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3628   -2.8154    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    2.6254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4967   -0.3154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6648    2.1254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1648    1.2594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    1.6254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3628    0.1846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0812    2.9302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7597    0.3516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6648    2.1254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    3.1254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4967   -1.3154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2288   -0.3154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    1.1254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.3628   -1.8154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2288   -1.3154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    1.6254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.2690    0.5054    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7657   -0.0054    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.3154    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7657   -1.6254    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.8154    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8997   -3.1254    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 11  1  0  0  0  0
  3 14  2  0  0  0  0
  4 19  1  0  0  0  0
  4 31  1  0  0  0  0
  5 20  1  0  0  0  0
  5 32  1  0  0  0  0
  6 10  2  0  0  0  0
  6 12  1  0  0  0  0
  6 15  1  0  0  0  0
  7 11  2  0  0  0  0
  7 13  1  0  0  0  0
  7 16  1  0  0  0  0
  8 12  2  0  0  0  0
  8 14  1  0  0  0  0
  9 13  2  0  0  0  0
  9 14  1  0  0  0  0
 10 18  1  0  0  0  0
 11 17  1  0  0  0  0
 12 23  1  0  0  0  0
 13 24  1  0  0  0  0
 15 19  2  0  0  0  0
 15 25  1  0  0  0  0
 16 20  2  0  0  0  0
 16 26  1  0  0  0  0
 17 21  2  0  0  0  0
 17 28  1  0  0  0  0
 18 22  2  0  0  0  0
 18 27  1  0  0  0  0
 19 22  1  0  0  0  0
 20 21  1  0  0  0  0
 21 30  1  0  0  0  0
 22 29  1  0  0  0  0
M  END

$$$$
D02OCD
          04021001212D 1   1.00000     0.00000     0

 29 31  0     0  0            999 V2000
    5.0583    1.4292    0.0000 C   0  0  0  0  0  0           0  0  0
    5.4167    0.8125    0.0000 C   0  0  3  0  0  0           0  0  0
    5.7715    1.4312    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.7223   -0.6000    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.7234   -1.3107    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.1086   -1.6652    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.1104   -0.2455    0.0000 C   0  0  0  0  0  0           0  0  0
    0.5008   -0.5963    0.0000 C   0  0  0  0  0  0           0  0  0
    0.5002   -1.3124    0.0000 C   0  0  0  0  0  0           0  0  0
    1.1166   -1.6690    0.0000 O   0  0  0  0  0  0           0  0  0
    1.7375   -1.3135    0.0000 C   0  0  0  0  0  0           0  0  0
    1.7382   -0.5974    0.0000 C   0  0  0  0  0  0           0  0  0
    1.1178   -0.2369    0.0000 C   0  0  0  0  0  0           0  0  0
    2.3523   -0.2444    0.0000 C   0  0  0  0  0  0           0  0  0
    2.9650   -0.5997    0.0000 N   0  0  0  0  0  0           0  0  0
    2.3536    0.4639    0.0000 O   0  0  0  0  0  0           0  0  0
   -1.3371   -1.6645    0.0000 O   0  0  0  0  0  0           0  0  0
   -1.9503   -1.3100    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.1078   -2.3735    0.0000 O   0  0  0  0  0  0           0  0  0
   -0.7209   -2.7284    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.7201   -3.4367    0.0000 C   0  0  0  0  0  0           0  0  0
    2.3502   -1.6690    0.0000 O   0  0  0  0  0  0           0  0  0
    3.5791   -0.2467    0.0000 C   0  0  0  0  0  0           0  0  0
    4.1909   -0.6042    0.0000 C   0  0  0  0  0  0           0  0  0
    4.8045   -0.2517    0.0000 C   0  0  0  0  0  0           0  0  0
    4.8063    0.4574    0.0000 C   0  0  0  0  0  0           0  0  0
    4.1892    0.8125    0.0000 C   0  0  0  0  0  0           0  0  0
    3.5780    0.4581    0.0000 C   0  0  0  0  0  0           0  0  0
    6.0331    0.4567    0.0000 N   0  0  0  0  0  0           0  0  0
  7  4  1  0     0  0
 14 15  1  0     0  0
  8  9  1  0     0  0
 14 16  2  0     0  0
  2  1  1  0     0  0
  5 17  1  0     0  0
  4  5  2  0     0  0
 17 18  1  0     0  0
  3  2  1  0     0  0
  6 19  1  0     0  0
  5  6  1  0     0  0
 19 20  1  0     0  0
  6  9  2  0     0  0
 20 21  1  0     0  0
 11 22  2  0     0  0
  8 13  1  0     0  0
 15 23  1  0     0  0
  9 10  1  0     0  0
 23 24  2  0     0  0
 10 11  1  0     0  0
 24 25  1  0     0  0
 11 12  1  0     0  0
 25 26  2  0     0  0
 12 13  2  0     0  0
 26 27  1  0     0  0
  8  7  2  0     0  0
 27 28  2  0     0  0
 28 23  1  0     0  0
 26  2  1  0     0  0
 12 14  1  0     0  0
  2 29  1  0     0  0
M  END

$$$$
D02ODJ
  -OEChem-10191521392D

 43 45  0     1  0  0  0  0  0999 V2000
    2.9789   -0.5005    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0757   -2.8058    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8507    2.3600    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3762   -1.6618    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0356    0.0365    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.3507    0.8212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0562    0.2452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6597    1.7723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3780    1.2358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6751    2.0045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3507    0.8212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7157   -0.9110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0417    1.7723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6657    0.0365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8507    3.3600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0263    2.0045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6452    0.2452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3233    1.2358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0562   -2.6092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7166   -3.3600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.2964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5983   -0.6007    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1 17  1  0  0  0  0
  1 21  1  0  0  0  0
  2 19  2  0  0  0  0
  3  8  1  0  0  0  0
  3 13  1  0  0  0  0
  3 15  1  0  0  0  0
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  4 36  1  0  0  0  0
  5  6  1  0  0  0  0
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  6  8  2  0  0  0  0
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  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
  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 13  2  0  0  0  0
 11 14  1  0  0  0  0
 12 29  1  0  0  0  0
 12 30  1  0  0  0  0
 13 16  1  0  0  0  0
 14 17  2  0  0  0  0
 14 31  1  0  0  0  0
 15 32  1  0  0  0  0
 15 33  1  0  0  0  0
 15 34  1  0  0  0  0
 16 18  2  0  0  0  0
 16 35  1  0  0  0  0
 17 18  1  0  0  0  0
 18 37  1  0  0  0  0
 19 20  1  0  0  0  0
 20 38  1  0  0  0  0
 20 39  1  0  0  0  0
 20 40  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
M  END

$$$$
D02OEI
  -OEChem-10101305022D

 33 34  0     1  0  0  0  0  0999 V2000
    4.5981    2.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.5000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
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    4.5981    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7320   -0.5000    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
    2.8660   -1.0000    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
    2.8660   -2.0000    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
    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
    2.0000   -2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2554    1.1077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    5.1350   -0.6900    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
    5.1350   -2.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.1200    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  4  1  0  0  0  0
  1  7  1  0  0  0  0
  1 24  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  6  1  0  0  0  0
  2 15  1  0  0  0  0
  3  5  1  0  0  0  0
  3 16  1  0  0  0  0
  3 17  1  0  0  0  0
  4 18  1  0  0  0  0
  4 19  1  0  0  0  0
  5  7  1  0  0  0  0
  5 20  1  0  0  0  0
  5 21  1  0  0  0  0
  6  8  1  0  0  0  0
  6  9  2  0  0  0  0
  7 22  1  0  0  0  0
  7 23  1  0  0  0  0
  8 10  2  0  0  0  0
  8 11  1  0  0  0  0
  9 12  1  0  0  0  0
  9 25  1  0  0  0  0
 10 13  1  0  0  0  0
 10 14  1  0  0  0  0
 11 26  1  0  0  0  0
 11 27  1  0  0  0  0
 11 28  1  0  0  0  0
 12 13  2  0  0  0  0
 12 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
 14 33  1  0  0  0  0
M  END

$$$$
D02OET
  -OEChem-10191521582D

 65 67  0     1  0  0  0  0  0999 V2000
    7.1962    1.7500    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
    2.0000    0.7500    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    2.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1962    1.7500    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    6.1962    1.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    5.7500    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    9.7942    4.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -2.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.4641   -1.2500    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
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    6.3301   -2.7500    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
    4.5981   -0.7500    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
    8.6962   -2.1160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6962   -0.3840    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
    6.3301   -3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    3.2500    0.0000 C   0  0  1  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    0.2500    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
    8.0622    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
    5.4641   -4.2500    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
    2.8660   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -5.2500    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
    6.3301   -5.7500    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
    8.8162   -1.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3860   -2.1674    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9875   -2.8577    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7932    0.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9841    3.3326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5856    2.6423    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1592   -2.4260    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0062   -2.6530    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2331   -1.8060    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2331   -0.6940    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0062    0.1530    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1592   -0.0740    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    0.4400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    2.6300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9781   -3.7500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -4.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2181   -3.7500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    0.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8501    4.8326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4516    4.1423    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331   -3.9400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9272   -3.9400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -1.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331   -5.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9272   -5.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651    3.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -6.3700    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 20  1  0  0  0  0
  1 22  1  0  0  0  0
  2 32  1  0  0  0  0
 23  3  1  1  0  0  0
  3 64  1  0  0  0  0
  6 36  1  0  0  0  0
  7 36  2  0  0  0  0
  8 10  1  0  0  0  0
  8 14  2  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
  9 17  1  0  0  0  0
 10 12  1  0  0  0  0
 11 13  2  0  0  0  0
 11 16  1  0  0  0  0
 12 18  1  0  0  0  0
 12 19  1  0  0  0  0
 12 37  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 14 21  1  0  0  0  0
 15 24  1  0  0  0  0
 15 38  1  0  0  0  0
 15 39  1  0  0  0  0
 16 25  2  0  0  0  0
 16 26  1  0  0  0  0
 17 22  2  0  0  0  0
 17 40  1  0  0  0  0
 18 43  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
 19 48  1  0  0  0  0
 20 23  1  0  0  0  0
 20 41  1  0  0  0  0
 20 42  1  0  0  0  0
 21 28  2  0  0  0  0
 21 29  1  0  0  0  0
 22 49  1  0  0  0  0
 23 27  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
 24 53  1  0  0  0  0
 25 30  1  0  0  0  0
 25 54  1  0  0  0  0
 26 31  2  0  0  0  0
 26 55  1  0  0  0  0
 27 36  1  0  0  0  0
 27 56  1  0  0  0  0
 27 57  1  0  0  0  0
 28 33  1  0  0  0  0
 28 58  1  0  0  0  0
 29 34  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
 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
 35 65  1  0  0  0  0
M  CHG  2   4  -1   6  -1
M  END

$$$$
D02OGQ
          07170901062D 1   1.00000     0.00000     0

 17 19  0     1  0            999 V2000
   -0.3138    1.0483    0.0000 C   0  0  0  0  0  0           0  0  0
    0.8862    0.6552    0.0000 N   0  0  3  0  0  0           0  0  0
   -0.3138    2.3034    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.4000    0.4207    0.0000 N   0  0  0  0  0  0           0  0  0
    1.2724   -0.5379    0.0000 C   0  0  2  0  0  0           0  0  0
    1.6310    1.6759    0.0000 C   0  0  0  0  0  0           0  0  0
    0.8862    2.6966    0.0000 N   0  0  0  0  0  0           0  0  0
   -1.4000    2.9379    0.0000 C   0  0  0  0  0  0           0  0  0
   -2.4897    1.0483    0.0000 C   0  0  0  0  0  0           0  0  0
    0.5345   -1.5517    0.0000 O   0  0  0  0  0  0           0  0  0
    2.4655   -0.9241    0.0000 C   0  0  0  0  0  0           0  0  0
   -2.4897    2.3034    0.0000 N   0  0  0  0  0  0           0  0  0
   -3.5759    0.4207    0.0000 N   0  0  0  0  0  0           0  0  0
    1.2724   -2.5655    0.0000 C   0  0  1  0  0  0           0  0  0
    2.4655   -2.1793    0.0000 O   0  0  0  0  0  0           0  0  0
    0.8862   -3.7586    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.3414   -4.0172    0.0000 O   0  0  0  0  0  0           0  0  0
  1  2  1  0     0  0
  1  3  2  0     0  0
  1  4  1  0     0  0
  5  2  1  1     0  0
  2  6  1  0     0  0
  3  7  1  0     0  0
  3  8  1  0     0  0
  4  9  2  0     0  0
  5 10  1  0     0  0
  5 11  1  0     0  0
  8 12  2  0     0  0
  9 13  1  0     0  0
 10 14  1  0     0  0
 11 15  1  0     0  0
 14 16  1  1     0  0
 16 17  1  0     0  0
  6  7  2  0     0  0
  9 12  1  0     0  0
 14 15  1  0     0  0
M  END

$$$$
D02OHW
  -OEChem-10101305022D

 29 31  0     0  0  0  0  0  0999 V2000
    2.0000    0.2327    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.2673    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0901   -0.3020    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    1.2327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.2327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    0.2327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.2673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    1.7327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.2327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0901    1.7673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9962    0.2119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9962    1.2535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.2327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.2673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.2673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.7673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8602   -0.2915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.2673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    2.3527    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9272    1.5427    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0829    2.3873    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5319    1.5656    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.8527    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -1.5773    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.3873    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5482   -0.8272    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3960   -0.6035    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1723    0.2443    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -1.5773    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 15  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  6  1  0  0  0  0
  3 11  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  7  1  0  0  0  0
  5  9  1  0  0  0  0
  7 13  2  0  0  0  0
  7 14  1  0  0  0  0
  8  9  2  0  0  0  0
  8 19  1  0  0  0  0
  9 20  1  0  0  0  0
 10 12  2  0  0  0  0
 10 21  1  0  0  0  0
 11 12  1  0  0  0  0
 11 17  1  0  0  0  0
 12 22  1  0  0  0  0
 13 15  1  0  0  0  0
 13 23  1  0  0  0  0
 14 16  2  0  0  0  0
 14 24  1  0  0  0  0
 15 18  2  0  0  0  0
 16 18  1  0  0  0  0
 16 25  1  0  0  0  0
 17 26  1  0  0  0  0
 17 27  1  0  0  0  0
 17 28  1  0  0  0  0
 18 29  1  0  0  0  0
M  END

$$$$
D02OJQ
  -OEChem-10101305022D

189194  0     1  0  0  0  0  0999 V2000
    4.1507    0.7563    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.0165   -0.2346    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   16.0018    0.9788    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.8447   -2.5176    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.6625   -4.2208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.3432    4.0608    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.9166   -5.4385    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3387    5.8560    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 90172  1  0  0  0  0
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M  END

$$$$
D02OKF
  -OEChem-10101305022D

 30 32  0     0  0  0  0  0  0999 V2000
    6.0010   -1.7673    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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 18 28  1  0  0  0  0
M  END

$$$$
D02OMP
  -OEChem-10191522132D

 47 50  0     1  0  0  0  0  0999 V2000
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 12  3  1  1  0  0  0
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 14  4  1  1  0  0  0
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 13  6  1  6  0  0  0
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 26 28  2  0  0  0  0
 27 28  1  0  0  0  0
 27 45  1  0  0  0  0
M  END

$$$$
D02ONP
  -OEChem-10101305032D

 43 46  0     0  0  0  0  0  0999 V2000
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    8.6671   -1.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9121   -2.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321   -3.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1521   -2.5000    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 18  1  0  0  0  0
  2 20  1  0  0  0  0
  3 13  1  0  0  0  0
  3 40  1  0  0  0  0
  4 12  1  0  0  0  0
  4 39  1  0  0  0  0
  5 16  1  0  0  0  0
  5 29  1  0  0  0  0
  6 16  2  0  0  0  0
  7 17  2  0  0  0  0
  8 18  2  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 16  1  0  0  0  0
  9 30  1  0  0  0  0
 10 12  2  0  0  0  0
 10 18  1  0  0  0  0
 11 13  2  0  0  0  0
 11 17  1  0  0  0  0
 12 15  1  0  0  0  0
 13 14  1  0  0  0  0
 14 19  1  0  0  0  0
 14 21  2  0  0  0  0
 15 20  1  0  0  0  0
 15 22  2  0  0  0  0
 19 23  2  0  0  0  0
 20 24  2  0  0  0  0
 21 26  1  0  0  0  0
 21 32  1  0  0  0  0
 22 25  1  0  0  0  0
 22 31  1  0  0  0  0
 23 27  1  0  0  0  0
 23 34  1  0  0  0  0
 24 28  1  0  0  0  0
 24 33  1  0  0  0  0
 25 28  2  0  0  0  0
 25 35  1  0  0  0  0
 26 27  2  0  0  0  0
 26 36  1  0  0  0  0
 27 38  1  0  0  0  0
 28 37  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
M  END

$$$$
D02ONZ
  -OEChem-10101305022D

 29 31  0     0  0  0  0  0  0999 V2000
   10.7263   -1.7742    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    0.2500    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
    2.0000    1.2500    0.0000 O   0  5  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
    2.8660    1.7500    0.0000 N   0  3  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
    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  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
    6.3301   -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
    8.9561   -1.7847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9561    0.2847    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
    4.5981   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8622   -1.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8622   -0.2292    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
    4.5981    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7932   -1.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9490   -2.4046    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9490    0.9046    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    1.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3979    0.0829    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951   -0.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 17  1  0  0  0  0
  2  7  1  0  0  0  0
  2  9  1  0  0  0  0
  3 12  2  0  0  0  0
  4  6  1  0  0  0  0
  5  6  2  0  0  0  0
  6 19  1  0  0  0  0
  7 10  1  0  0  0  0
  7 11  2  0  0  0  0
  8  9  2  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
 10 15  2  0  0  0  0
 10 16  1  0  0  0  0
 11 12  1  0  0  0  0
 11 22  1  0  0  0  0
 13 17  2  0  0  0  0
 13 23  1  0  0  0  0
 14 18  2  0  0  0  0
 14 24  1  0  0  0  0
 15 20  1  0  0  0  0
 15 25  1  0  0  0  0
 16 21  2  0  0  0  0
 16 26  1  0  0  0  0
 17 18  1  0  0  0  0
 18 27  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 20 28  1  0  0  0  0
 21 29  1  0  0  0  0
M  CHG  2   4  -1   6   1
M  END

$$$$
D02OPG
  -OEChem-10191521222D

 86 89  0     1  0  0  0  0  0999 V2000
    8.1053    0.8985    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9078    0.7490    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5071    4.3984    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9872    0.0018    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3397    1.0608    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9454   -2.0954    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6686   -0.3856    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9712    1.3984    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3732    1.8984    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.7284   -0.9641    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6411    2.8984    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3482    0.1913    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2235   -1.6535    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2392    4.3984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8306   -1.7405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3134   -1.3204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.7418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.0737    1.5647    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2447    2.3763    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9101    2.5884    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5037   -1.2952    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    7.5492    2.8615    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1256    2.2429    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5843   -1.8949    0.0000 H   2  0  0  0  0  0  0  0  0  0  0  0
    9.5301   -2.0658    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4564   -0.6763    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5679   -1.5630    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2601    1.0969    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0504    0.9928    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1042    3.2084    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4967    2.3618    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8505   -2.0994    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4142   -1.5358    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4152    3.3615    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6422    4.2084    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7952    4.4354    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592    4.3984    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    6.6192    4.3984    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    1.7627    2.3146    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   11.5574   -1.9963    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1 18  2  0  0  0  0
  2 19  2  0  0  0  0
  3 24  2  0  0  0  0
  4 29  2  0  0  0  0
  5 31  2  0  0  0  0
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  9 18  1  0  0  0  0
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 10 20  1  0  0  0  0
 10 29  1  0  0  0  0
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 11 23  1  0  0  0  0
 11 24  1  0  0  0  0
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 12 31  1  0  0  0  0
 12 73  1  0  0  0  0
 13 39  1  0  0  0  0
 13 40  1  0  0  0  0
 13 81  1  0  0  0  0
 14 15  1  0  0  0  0
 14 18  1  0  0  0  0
 14 45  1  1  0  0  0
 15 16  1  0  0  0  0
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 16 48  1  0  0  0  0
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 17 50  1  0  0  0  0
 17 51  1  0  0  0  0
 19 20  1  0  0  0  0
 20 25  1  6  0  0  0
 20 53  1  0  0  0  0
 21 22  1  1  0  0  0
 21 24  1  0  0  0  0
 21 52  1  0  0  0  0
 22 32  1  0  0  0  0
 22 33  1  0  0  0  0
 22 55  1  0  0  0  0
 23 27  1  6  0  0  0
 23 31  1  0  0  0  0
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 25 35  1  0  0  0  0
 25 57  1  0  0  0  0
 25 58  1  0  0  0  0
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 26 30  1  1  0  0  0
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 27 28  1  0  0  0  0
 27 61  1  0  0  0  0
 27 62  1  0  0  0  0
 28 36  1  0  0  0  0
 28 37  1  0  0  0  0
 28 64  1  0  0  0  0
 30 34  1  0  0  0  0
 30 65  1  0  0  0  0
 30 66  1  0  0  0  0
 32 70  1  0  0  0  0
 32 71  1  0  0  0  0
 32 72  1  0  0  0  0
 33 67  1  0  0  0  0
 33 68  1  0  0  0  0
 33 69  1  0  0  0  0
 34 38  1  0  0  0  0
 34 39  2  0  0  0  0
 36 74  1  0  0  0  0
 36 78  1  0  0  0  0
 36 79  1  0  0  0  0
 37 75  1  0  0  0  0
 37 76  1  0  0  0  0
 37 77  1  0  0  0  0
 38 40  1  0  0  0  0
 38 41  2  0  0  0  0
 39 80  1  0  0  0  0
 40 42  2  0  0  0  0
 41 43  1  0  0  0  0
 41 82  1  0  0  0  0
 42 44  1  0  0  0  0
 42 83  1  0  0  0  0
 43 44  2  0  0  0  0
 43 85  1  0  0  0  0
 44 86  1  0  0  0  0
M  ISO  1  57   3
M  END

$$$$
D02OPH
  -OEChem-10101305032D

 35 37  0     0  0  0  0  0  0999 V2000
    2.7172    2.3093    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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    7.5837    0.9309    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1056    1.5891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    0.5945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3624    2.2582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0837    1.7970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9146    0.1878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.4114    1.9492    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.4030   -2.9055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.4045    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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 10 13  1  0  0  0  0
 11 15  2  0  0  0  0
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 15 21  1  0  0  0  0
 15 28  1  0  0  0  0
 16 22  2  0  0  0  0
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 18 20  2  0  0  0  0
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 19 25  1  0  0  0  0
 20 23  1  0  0  0  0
 20 32  1  0  0  0  0
 21 24  2  0  0  0  0
 22 24  1  0  0  0  0
 22 33  1  0  0  0  0
 24 34  1  0  0  0  0
M  END

$$$$
D02OVN
  -OEChem-04152122282D

 50 51  0     1  0  0  0  0  0999 V2000
    5.4641    0.2488    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   11.3769   -1.5876    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    0.7488    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -2.7512    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -2.2512    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.2512    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    3.2488    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.7512    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    3.2488    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   11.2836   -3.3672    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    6.3301   -1.2512    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    3.7320    0.2488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1 15  1  0  0  0  0
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 16 10  1  6  0  0  0
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 20 24  1  0  0  0  0
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 25 43  1  0  0  0  0
 27 44  1  0  0  0  0
 27 45  1  0  0  0  0
 29 30  2  0  0  0  0
 30 46  1  0  0  0  0
M  END

$$$$
D02OYL
  -OEChem-10101305032D

 55 57  0     0  0  0  0  0  0999 V2000
    4.5981   -0.2500    0.0000 O   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
    3.7320    1.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.2500    0.0000 N   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
    6.3301    5.7500    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
    7.1962    6.2500    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
    5.4641    4.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7320    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0000   -1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7320   -4.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -5.7500    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
    2.8660   -6.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1181    6.3326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7196    5.6423    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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 13 44  1  0  0  0  0
 15 17  2  0  0  0  0
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 16 20  1  0  0  0  0
 16 21  1  0  0  0  0
 17 19  1  0  0  0  0
 17 47  1  0  0  0  0
 18 20  2  0  0  0  0
 18 48  1  0  0  0  0
 19 49  1  0  0  0  0
 20 50  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 22 24  1  0  0  0  0
 22 51  1  0  0  0  0
 23 25  2  0  0  0  0
 23 52  1  0  0  0  0
 24 26  2  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
 26 55  1  0  0  0  0
M  END

$$$$
D02OZB
  -OEChem-10101305032D

 27 28  0     0  0  0  0  0  0999 V2000
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    4.2690    0.1900    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    2.1900    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    0.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    0.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    1.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    1.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -0.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -1.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -1.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -2.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.2690   -2.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7924    0.7977    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  3 22  1  0  0  0  0
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  5 17  1  0  0  0  0
  6 18  1  0  0  0  0
  6 19  1  0  0  0  0
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 10 12  1  0  0  0  0
 10 23  1  0  0  0  0
 11 13  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
M  END

$$$$
D02PAU
  -OEChem-10101305022D

 48 50  0     0  0  0  0  0  0999 V2000
   10.6883    0.9936    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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   10.1970    4.7852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.3503   -2.8222    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1 18  1  0  0  0  0
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 17 22  2  0  0  0  0
 20 24  2  0  0  0  0
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 22 24  1  0  0  0  0
 22 37  1  0  0  0  0
 25 40  1  0  0  0  0
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 26 28  1  0  0  0  0
 27 43  1  0  0  0  0
 27 44  1  0  0  0  0
 27 45  1  0  0  0  0
 28 29  2  0  0  0  0
 28 46  1  0  0  0  0
 29 31  1  0  0  0  0
 29 47  1  0  0  0  0
 30 31  2  0  0  0  0
 30 48  1  0  0  0  0
M  END

$$$$
D02PBS
  -OEChem-10101305022D

 43 46  0     0  0  0  0  0  0999 V2000
    2.0000   -1.7329    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 26 43  1  0  0  0  0
M  END

$$$$
D02PBY
  -OEChem-04152110252D

 54 58  0     1  0  0  0  0  0999 V2000
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    8.8351    1.8487    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0627   -2.4507    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9290   -2.3150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7933   -1.4488    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9392    2.7350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3886    3.4174    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7063    2.8667    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 19  2  0  0  0  0
  2 20  2  0  0  0  0
  3 11  1  0  0  0  0
  3 16  1  0  0  0  0
  3 17  1  0  0  0  0
  4 17  2  0  0  0  0
  4 18  1  0  0  0  0
  5 18  1  0  0  0  0
  5 20  1  0  0  0  0
  5 21  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  8  1  0  0  0  0
  7 11  1  0  0  0  0
  7 13  1  0  0  0  0
  7 27  1  0  0  0  0
  8 12  1  0  0  0  0
  8 14  1  0  0  0  0
  8 28  1  0  0  0  0
  9 11  1  0  0  0  0
  9 12  1  0  0  0  0
  9 15  1  0  0  0  0
  9 29  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
 10 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 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 18  2  0  0  0  0
 16 19  1  0  0  0  0
 17 40  1  0  0  0  0
 21 23  1  0  0  0  0
 21 41  1  0  0  0  0
 21 42  1  0  0  0  0
 22 24  1  0  0  0  0
 22 43  1  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
 23 46  1  0  0  0  0
 24 26  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
 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
M  END

$$$$
D02PDP
  -OEChem-10101305032D

 42 45  0     0  0  0  0  0  0999 V2000
    7.1962    2.9400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -2.0600    0.0000 N   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
    4.5981   -1.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -1.5600    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
    6.3301   -0.5600    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
    3.7320   -2.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -2.0600    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
    4.5981    1.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.5600    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
    7.1962   -3.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -1.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    2.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    2.9400    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
    2.8660   -3.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -3.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282   -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
    8.9282   -3.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0611   -0.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -0.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    1.1300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0611    1.1300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.9400    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
    6.6592   -3.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -0.9400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0611    2.7500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    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
    2.8660   -4.1800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -4.1800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651   -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
    9.4651   -3.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    3.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 17  1  0  0  0  0
  1 42  1  0  0  0  0
  2  4  2  0  0  0  0
  2  5  1  0  0  0  0
  3  6  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  6  1  0  0  0  0
  4  9  1  0  0  0  0
  5  7  2  0  0  0  0
  5 10  1  0  0  0  0
  6 26  1  0  0  0  0
  7 27  1  0  0  0  0
  8 11  2  0  0  0  0
  8 12  1  0  0  0  0
  9 13  2  0  0  0  0
  9 14  1  0  0  0  0
 10 15  2  0  0  0  0
 10 16  1  0  0  0  0
 11 17  1  0  0  0  0
 11 28  1  0  0  0  0
 12 18  2  0  0  0  0
 12 29  1  0  0  0  0
 13 20  1  0  0  0  0
 13 30  1  0  0  0  0
 14 21  2  0  0  0  0
 14 31  1  0  0  0  0
 15 22  1  0  0  0  0
 15 32  1  0  0  0  0
 16 23  2  0  0  0  0
 16 33  1  0  0  0  0
 17 19  2  0  0  0  0
 18 19  1  0  0  0  0
 18 34  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 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 25  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
M  END

$$$$
D02PFJ
  -OEChem-10101305022D

 31 31  0     0  0  0  0  0  0999 V2000
    2.0000   -1.6144    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    1.8856    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.6144    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.1144    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8301    3.4244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8301    3.4244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1391    2.4734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5211    2.4734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.8856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.6144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.1144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.1144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.1144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8949    4.0410    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2237    3.5533    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4366    3.5533    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7653    4.0410    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4491    1.9364    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7055    2.7255    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9547    2.7255    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2111    1.9364    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5422    0.3030    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9407    0.9932    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5200   -0.0318    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1215   -0.7221    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2881   -2.6514    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -2.4244    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.3291   -3.4244    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -3.4244    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  8  1  0  0  0  0
  2  9  1  0  0  0  0
  3 11  1  0  0  0  0
  3 13  1  0  0  0  0
  3 14  1  0  0  0  0
  4 14  1  0  0  0  0
  4 30  1  0  0  0  0
  4 31  1  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
  5 16  1  0  0  0  0
  6  7  1  0  0  0  0
  6 17  1  0  0  0  0
  6 18  1  0  0  0  0
  7 19  1  0  0  0  0
  7 20  1  0  0  0  0
  8 21  1  0  0  0  0
  8 22  1  0  0  0  0
  9 10  1  0  0  0  0
  9 23  1  0  0  0  0
  9 24  1  0  0  0  0
 10 12  3  0  0  0  0
 11 12  1  0  0  0  0
 11 25  1  0  0  0  0
 11 26  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
M  END

$$$$
D02PIG
  -OEChem-10101305022D

 78 79  0     1  0  0  0  0  0999 V2000
    3.4030   -7.5600    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -6.0600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -5.0600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991   -3.5600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -3.5600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1972    0.9400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331   -0.0600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3312    7.4400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -4.5600    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -3.5600    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991   -1.5600    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651    0.9400    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651    2.9400    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.0632    7.4400    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    7.7331   -5.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -5.0600    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0010   -5.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -6.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331   -6.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.7331   -3.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3312    2.4400    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.1972    2.9400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -4.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -6.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991   -6.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331   -2.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1972    3.9400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3312    1.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -7.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991   -7.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651   -0.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331   -8.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0632    4.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3312    4.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991   -0.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0632    5.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3312    5.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1972    5.9400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -8.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1972    6.9400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -4.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3437   -5.1677    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9451   -4.4774    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -4.4400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4810   -6.6426    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8796   -5.9523    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -3.9400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -3.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1909   -5.9774    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7924   -6.6677    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942    2.1300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4092    2.3574    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8078    3.0477    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -6.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1360   -6.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5210   -1.4774    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1225   -2.1677    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -7.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1360   -7.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1360   -1.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6772   -0.6426    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0757    0.0477    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    1.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331   -8.6800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.6002    4.1300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942    4.1300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    2.6300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651    3.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.6002    5.7500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942    5.7500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.2269   -7.5231    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8469   -8.5969    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.0632    8.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.6002    7.1300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 21  1  0  0  0  0
  1 41  1  0  0  0  0
  2 18  2  0  0  0  0
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  4 22  2  0  0  0  0
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  7 37  2  0  0  0  0
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 17  9  1  1  0  0  0
  9 18  1  0  0  0  0
  9 49  1  0  0  0  0
 15 10  1  1  0  0  0
 10 22  1  0  0  0  0
 10 50  1  0  0  0  0
 11 28  1  0  0  0  0
 11 37  1  0  0  0  0
 11 62  1  0  0  0  0
 12 30  1  0  0  0  0
 12 33  1  0  0  0  0
 12 65  1  0  0  0  0
 23 13  1  1  0  0  0
 13 69  1  0  0  0  0
 13 70  1  0  0  0  0
 14 42  1  0  0  0  0
 14 77  1  0  0  0  0
 14 78  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 20  1  0  0  0  0
 16 44  1  0  0  0  0
 16 45  1  0  0  0  0
 17 19  1  0  0  0  0
 17 25  1  0  0  0  0
 17 46  1  0  0  0  0
 19 21  1  0  0  0  0
 19 47  1  0  0  0  0
 19 48  1  0  0  0  0
 20 26  2  0  0  0  0
 20 27  1  0  0  0  0
 21 51  1  0  0  0  0
 21 52  1  0  0  0  0
 22 28  1  0  0  0  0
 23 24  1  0  0  0  0
 23 30  1  0  0  0  0
 23 53  1  0  0  0  0
 24 29  1  0  0  0  0
 24 54  1  0  0  0  0
 24 55  1  0  0  0  0
 26 31  1  0  0  0  0
 26 56  1  0  0  0  0
 27 32  2  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 35  2  0  0  0  0
 29 36  1  0  0  0  0
 31 34  2  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 37  1  0  0  0  0
 33 63  1  0  0  0  0
 33 64  1  0  0  0  0
 34 66  1  0  0  0  0
 35 38  1  0  0  0  0
 35 67  1  0  0  0  0
 36 39  2  0  0  0  0
 36 68  1  0  0  0  0
 38 40  2  0  0  0  0
 38 71  1  0  0  0  0
 39 40  1  0  0  0  0
 39 72  1  0  0  0  0
 40 42  1  0  0  0  0
 41 74  1  0  0  0  0
 41 75  1  0  0  0  0
 41 76  1  0  0  0  0
M  END

$$$$
D02PKO
  -OEChem-10101305022D

 33 34  0     1  0  0  0  0  0999 V2000
    3.0000    0.2929    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.0878    3.6407    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.0000    0.2929    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.2929    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -3.7071    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    1.2929    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.8090    1.8807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1910    1.8807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000    2.8317    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.5000    2.8317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -0.7071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1340   -1.2071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8660   -1.2071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1340   -2.2071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8660   -2.2071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -2.7071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1340   -4.2071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5524    1.0114    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1190    1.3437    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3754    2.1328    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6246    2.1328    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8810    1.3437    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1124    2.7347    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5648    3.4483    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8936    2.9606    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8356    4.2071    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5970   -0.8971    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4030   -0.8971    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5970   -2.5171    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4030   -2.5171    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8240   -3.6702    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5970   -4.5171    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4440   -4.7441    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  6  1  0  0  0  0
  1 11  1  0  0  0  0
  2  9  1  0  0  0  0
  2 26  1  0  0  0  0
  5 16  1  0  0  0  0
  5 17  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6 18  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 10  1  0  0  0  0
  8 21  1  0  0  0  0
  8 22  1  0  0  0  0
  9 10  1  0  0  0  0
  9 23  1  0  0  0  0
 10 24  1  0  0  0  0
 10 25  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 12 14  1  0  0  0  0
 12 27  1  0  0  0  0
 13 15  2  0  0  0  0
 13 28  1  0  0  0  0
 14 16  2  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
 17 31  1  0  0  0  0
 17 32  1  0  0  0  0
 17 33  1  0  0  0  0
M  END

$$$$
D02PKR
  -OEChem-10101305022D

 33 35  0     0  0  0  0  0  0999 V2000
    4.2690   -1.2379    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   10.3991   -0.7654    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    9.5273   -2.2621    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.7621    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    1.7621    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    0.7621    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.5312   -1.2621    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    4.2690    1.7621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    0.2621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    2.2621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    0.7621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    0.2621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -0.7379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    0.2621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -0.7379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -1.2379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7610   -1.2726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7610    0.7967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6671   -0.7587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6671    0.2829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8796    1.6544    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4810    2.3447    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0044   -0.2129    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8015   -0.2129    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8015    2.7370    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0044    2.7370    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9264    0.8697    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3249    0.1795    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.0721    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -1.8579    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7538   -1.8926    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7538    1.4167    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2028    0.5950    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  1  0  0  0  0
  2  7  1  0  0  0  0
  3  7  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 10  1  0  0  0  0
  5 11  1  0  0  0  0
  5 29  1  0  0  0  0
  6 12  1  0  0  0  0
  6 14  2  0  0  0  0
  7 19  1  0  0  0  0
  8 10  1  0  0  0  0
  8 21  1  0  0  0  0
  8 22  1  0  0  0  0
  9 11  1  0  0  0  0
  9 23  1  0  0  0  0
  9 24  1  0  0  0  0
 10 25  1  0  0  0  0
 10 26  1  0  0  0  0
 11 27  1  0  0  0  0
 11 28  1  0  0  0  0
 12 13  2  0  0  0  0
 13 16  1  0  0  0  0
 14 15  1  0  0  0  0
 14 18  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 16 30  1  0  0  0  0
 17 19  2  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
 19 20  1  0  0  0  0
 20 33  1  0  0  0  0
M  CHG  2   2  -1   7   1
M  END

$$$$
D02PLD
  -OEChem-10101305022D

 39 40  0     0  0  0  0  0  0999 V2000
    5.4641   -0.8100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    0.1900    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    2.1900    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
    8.0622    0.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    1.6900    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
    7.1962   -0.8100    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   -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   -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   -2.3100    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
    7.1962   -2.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7196    0.7977    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1181    0.1074    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2742    0.1074    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6728    0.7977    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1181    2.2726    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6728    1.5823    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2742    2.2726    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7196    1.5823    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    2.8100    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
    4.1996   -1.7850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9966   -1.7850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1306   -0.3351    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3335   -0.3351    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   -2.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4675   -1.7850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2646   -1.7850    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
    2.3100   -0.2731    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -0.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -1.3469    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
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  8  1  0  0  0  0
  3  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3 26  1  0  0  0  0
  4  7  1  0  0  0  0
  4 18  1  0  0  0  0
  4 19  1  0  0  0  0
  5  6  1  0  0  0  0
  5 20  1  0  0  0  0
  5 21  1  0  0  0  0
  6 23  1  0  0  0  0
  6 24  1  0  0  0  0
  7 22  1  0  0  0  0
  7 25  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  2  0  0  0  0
  9 13  2  0  0  0  0
 10 14  1  0  0  0  0
 10 27  1  0  0  0  0
 11 12  1  0  0  0  0
 11 28  1  0  0  0  0
 11 29  1  0  0  0  0
 12 15  1  0  0  0  0
 12 30  1  0  0  0  0
 12 31  1  0  0  0  0
 13 16  1  0  0  0  0
 13 32  1  0  0  0  0
 14 16  2  0  0  0  0
 14 33  1  0  0  0  0
 15 17  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
 17 39  1  0  0  0  0
M  END

$$$$
D02PLG
  -OEChem-10101305022D

 36 38  0     0  0  0  0  0  0999 V2000
    4.2601    3.0194    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.2601    3.0194    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.7594    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.7601   -2.5194    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3733    0.8323    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7601    1.4806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  7  9  1  0  0  0  0
  8 10  2  0  0  0  0
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 10 15  1  0  0  0  0
 10 23  1  0  0  0  0
 11 16  2  0  0  0  0
 11 24  1  0  0  0  0
 13 18  1  0  0  0  0
 13 25  1  0  0  0  0
 14 19  2  0  0  0  0
 14 26  1  0  0  0  0
 15 17  2  0  0  0  0
 15 27  1  0  0  0  0
 16 17  1  0  0  0  0
 16 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
 21 31  1  0  0  0  0
 21 32  1  0  0  0  0
 21 33  1  0  0  0  0
 22 34  1  0  0  0  0
 22 35  1  0  0  0  0
 22 36  1  0  0  0  0
M  END

$$$$
D02POA
  -OEChem-10101305022D

 49 50  0     0  0  0  0  0  0999 V2000
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    3.4030    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 19 46  1  0  0  0  0
 20 47  1  0  0  0  0
 21 22  1  0  0  0  0
 21 48  1  0  0  0  0
 22 49  1  0  0  0  0
M  END

$$$$
D02POV
  -OEChem-10101305022D

 33 34  0     1  0  0  0  0  0999 V2000
    5.4641    0.6488    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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    4.5981    2.1488    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3776    2.2420    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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 10 12  1  0  0  0  0
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 13 15  1  0  0  0  0
 13 29  1  0  0  0  0
 15 30  1  0  0  0  0
 17 18  2  0  0  0  0
 17 32  1  0  0  0  0
 18 33  1  0  0  0  0
M  END

$$$$
D02PPQ
  -OEChem-10101305032D

 35 37  0     0  0  0  0  0  0999 V2000
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  1  9  1  0  0  0  0
  4 19  1  0  0  0  0
  4 21  1  0  0  0  0
  5 19  2  0  0  0  0
  6 10  1  0  0  0  0
  6 14  1  0  0  0  0
  7 12  1  0  0  0  0
  7 20  1  0  0  0  0
  7 29  1  0  0  0  0
  8 15  1  0  0  0  0
  8 20  2  0  0  0  0
  9 11  2  0  0  0  0
  9 13  1  0  0  0  0
 10 16  2  0  0  0  0
 10 19  1  0  0  0  0
 11 12  1  0  0  0  0
 11 23  1  0  0  0  0
 12 15  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 25  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 16 26  1  0  0  0  0
 17 27  1  0  0  0  0
 18 28  1  0  0  0  0
 20 30  1  0  0  0  0
 21 22  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

$$$$
D02PSL
  -OEChem-10101305032D

 36 38  0     0  0  0  0  0  0999 V2000
    6.6668    0.2756    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.9758    1.2266    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    3.3122    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7157   -0.0334    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4758   -0.3122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4758   -1.3122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9726    0.6357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9758    1.2266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2848    0.2756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6098   -1.8122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3418   -1.8122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6098   -2.8122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1805    1.6138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0215    0.3267    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3418   -2.8122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4758   -3.3122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4374    2.2830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2784    0.9958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7438   -3.3122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4863    1.9740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7431    2.6431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2272   -0.4152    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0068   -0.5809    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6114    1.7282    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8745    0.0840    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0728   -1.5022    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8788   -1.5022    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7702    1.8054    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8926   -0.2798    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8788   -3.1222    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4758   -3.9322    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5662    2.8894    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6887    0.8042    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4338   -2.7753    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2068   -3.6222    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538   -3.8492    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
  1  8  1  0  0  0  0
  2  8  2  0  0  0  0
  2  9  1  0  0  0  0
  3 21  3  0  0  0  0
  4  7  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  9  2  0  0  0  0
  6 10  1  0  0  0  0
  6 11  2  0  0  0  0
  7 13  2  0  0  0  0
  7 14  1  0  0  0  0
  8 24  1  0  0  0  0
  9 25  1  0  0  0  0
 10 12  2  0  0  0  0
 10 26  1  0  0  0  0
 11 15  1  0  0  0  0
 11 27  1  0  0  0  0
 12 16  1  0  0  0  0
 12 19  1  0  0  0  0
 13 17  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 16  2  0  0  0  0
 15 30  1  0  0  0  0
 16 31  1  0  0  0  0
 17 20  2  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
 19 35  1  0  0  0  0
 19 36  1  0  0  0  0
 20 21  1  0  0  0  0
M  END

$$$$
D02PSR
  -OEChem-10101305022D

 25 24  0     0  0  0  0  0  0999 V2000
    5.6720    2.8700    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.2690    5.1200    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1350    5.6200    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    2.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    3.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2690    4.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5369    2.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2690    2.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5369    1.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2690    1.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    0.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5369    4.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4810    3.5374    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8796    4.2277    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8059    2.4300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8059    0.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7320    5.4300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5369    4.7400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1350    6.2400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6720    5.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6720    2.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 25  1  0  0  0  0
  2  3  1  0  0  0  0
  2  6  1  0  0  0  0
  2 20  1  0  0  0  0
  3 23  1  0  0  0  0
  3 24  1  0  0  0  0
  4  5  1  0  0  0  0
  4  7  2  0  0  0  0
  4  8  1  0  0  0  0
  5  6  1  0  0  0  0
  5 12  2  0  0  0  0
  6 13  1  0  0  0  0
  6 14  1  0  0  0  0
  7  9  1  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 11  2  0  0  0  0
  9 17  1  0  0  0  0
 10 11  1  0  0  0  0
 10 18  1  0  0  0  0
 11 19  1  0  0  0  0
 12 21  1  0  0  0  0
 12 22  1  0  0  0  0
M  END

$$$$
D02PUV
  -OEChem-10101305022D

 37 38  0     0  0  0  0  0  0999 V2000
    7.1962    3.1550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.8450    0.0000 O   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
    2.8660    1.6550    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
    4.5981    1.6550    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
    3.7320    3.1550    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
    2.8660   -0.3450    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
    4.5981   -0.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    1.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.3450    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
    4.5981   -1.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    2.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    3.2750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291    1.3450    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0420    2.6181    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
    3.4220    3.6919    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100    3.6919    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
    1.6900    2.6181    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.5350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -0.0350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0611    2.9650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -0.0350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    1.3450    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -1.6550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    3.7750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -1.6550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    2.8450    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951   -3.1550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 18  1  0  0  0  0
  1 36  1  0  0  0  0
  2 19  1  0  0  0  0
  2 37  1  0  0  0  0
  3  5  1  0  0  0  0
  3  8  1  0  0  0  0
  3  9  1  0  0  0  0
  3 20  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  4  7  1  0  0  0  0
  5 21  1  0  0  0  0
  6 11  2  0  0  0  0
  6 13  1  0  0  0  0
  7 10  2  0  0  0  0
  7 12  1  0  0  0  0
  8 25  1  0  0  0  0
  8 26  1  0  0  0  0
  8 27  1  0  0  0  0
  9 22  1  0  0  0  0
  9 23  1  0  0  0  0
  9 24  1  0  0  0  0
 10 14  1  0  0  0  0
 10 28  1  0  0  0  0
 11 15  1  0  0  0  0
 11 29  1  0  0  0  0
 12 16  2  0  0  0  0
 12 30  1  0  0  0  0
 13 17  2  0  0  0  0
 13 31  1  0  0  0  0
 14 18  2  0  0  0  0
 14 32  1  0  0  0  0
 15 19  2  0  0  0  0
 15 33  1  0  0  0  0
 16 18  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
M  END

$$$$
D02PVB
  -OEChem-10101305032D

 25 28  0     0  0  0  0  0  0999 V2000
    4.6660    2.2333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3073   -1.7106    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3009   -1.6910    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000   -0.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660   -0.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000    0.7333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321   -0.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9061   -0.8014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321    0.7333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660    1.2333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9061    1.2680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4260   -0.8014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4260    1.2680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.7541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3321   -0.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3321    0.7541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9132    1.8879    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9739   -2.2333    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4643   -0.5996    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4188   -1.4213    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4188    1.8879    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4643    1.0662    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8678   -0.5996    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8678    1.0662    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  2  0  0  0  0
  2  3  1  0  0  0  0
  2  8  1  0  0  0  0
  2 19  1  0  0  0  0
  3  5  2  0  0  0  0
  4  5  1  0  0  0  0
  4  6  2  0  0  0  0
  4  8  1  0  0  0  0
  5  7  1  0  0  0  0
  6 10  1  0  0  0  0
  6 11  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
  9 10  1  0  0  0  0
  9 14  2  0  0  0  0
 11 15  2  0  0  0  0
 11 18  1  0  0  0  0
 12 15  1  0  0  0  0
 12 20  1  0  0  0  0
 13 16  1  0  0  0  0
 13 21  1  0  0  0  0
 14 17  1  0  0  0  0
 14 22  1  0  0  0  0
 15 23  1  0  0  0  0
 16 17  2  0  0  0  0
 16 24  1  0  0  0  0
 17 25  1  0  0  0  0
M  END

$$$$
D02PVD
  -OEChem-10191521502D

 56 55  0     1  0  0  0  0  0999 V2000
   14.1244    0.0485    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
   15.8564    0.0485    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   13.2583   -0.4515    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.9904    0.5485    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.6244    0.9145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.6244   -0.8175    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.7224   -0.4515    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.3564    0.9145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.3564   -0.8175    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    8.9282    0.0485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 25 51  1  0  0  0  0
 25 52  1  0  0  0  0
 25 53  1  0  0  0  0
M  END

$$$$
D02PWZ
  -OEChem-10101305022D

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M  END

$$$$
D02PXN
  -OEChem-10191522282D

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 22 51  1  0  0  0  0
 23 25  2  0  0  0  0
 23 52  1  0  0  0  0
 24 28  1  0  0  0  0
 24 53  1  0  0  0  0
 24 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
 27 57  1  0  0  0  0
 28 58  1  0  0  0  0
 28 59  1  0  0  0  0
 29 61  1  0  0  0  0
 29 62  1  0  0  0  0
 29 63  1  0  0  0  0
 30 60  1  0  0  0  0
 30 64  1  0  0  0  0
 30 65  1  0  0  0  0
M  END

$$$$
D02PZJ
  -OEChem-10101305022D

 32 34  0     0  0  0  0  0  0999 V2000
    8.7788    2.1012    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.4128    0.7352    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.4128    2.4672    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.0468    1.1012    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.2352    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    5.3147    1.1012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4487   -1.3988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4487   -0.3988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1808    1.6012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1808   -0.3988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4487    1.6012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.5000   -3.1012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.2478   -3.6676    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 21  1  0  0  0  0
  2 21  1  0  0  0  0
  3 21  1  0  0  0  0
  4 11  1  0  0  0  0
  4 21  1  0  0  0  0
  5 20  1  0  0  0  0
  5 22  1  0  0  0  0
  6 16  1  0  0  0  0
  6 22  2  0  0  0  0
  7  8  1  0  0  0  0
  7 10  2  0  0  0  0
  7 12  1  0  0  0  0
  8 11  1  0  0  0  0
  8 13  2  0  0  0  0
  9 10  1  0  0  0  0
  9 14  2  0  0  0  0
  9 16  1  0  0  0  0
 10 23  1  0  0  0  0
 11 17  2  0  0  0  0
 12 15  2  0  0  0  0
 12 24  1  0  0  0  0
 13 18  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 27  1  0  0  0  0
 16 20  2  0  0  0  0
 17 19  1  0  0  0  0
 17 28  1  0  0  0  0
 18 19  2  0  0  0  0
 18 29  1  0  0  0  0
 19 30  1  0  0  0  0
 20 31  1  0  0  0  0
 22 32  1  0  0  0  0
M  END

$$$$
D02PZZ
  -OEChem-10101305022D

 30 32  0     0  0  0  0  0  0999 V2000
    8.9942    1.7568    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.7327    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.2673    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
    4.5981    0.2327    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
    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
    7.2241   -0.3020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2241    1.7673    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
    8.1301    1.2535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7320   -1.2673    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
    2.8660   -1.7673    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
    9.8622    1.2602    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
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    4.0611    1.5427    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.2690   -1.5773    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
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    1.4631    0.0427    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   10.4003    0.9522    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1701    1.7983    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  1  0  0  0  0
  1 18  1  0  0  0  0
  2  6  2  0  0  0  0
  2 11  1  0  0  0  0
  3 16  2  0  0  0  0
  3 17  1  0  0  0  0
  4  6  1  0  0  0  0
  4  7  2  0  0  0  0
  4  9  1  0  0  0  0
  5  7  1  0  0  0  0
  5  8  1  0  0  0  0
  5 11  2  0  0  0  0
  6 10  1  0  0  0  0
  7 19  1  0  0  0  0
  8 14  2  0  0  0  0
  8 15  1  0  0  0  0
  9 13  2  0  0  0  0
  9 20  1  0  0  0  0
 10 12  2  0  0  0  0
 10 21  1  0  0  0  0
 11 22  1  0  0  0  0
 12 13  1  0  0  0  0
 13 23  1  0  0  0  0
 14 16  1  0  0  0  0
 14 24  1  0  0  0  0
 15 17  2  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
 18 28  1  0  0  0  0
 18 29  1  0  0  0  0
 18 30  1  0  0  0  0
M  END

$$$$
D02QAZ
  -OEChem-10101305022D

 54 57  0     0  0  0  0  0  0999 V2000
    2.8660    0.9330    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -2.5670    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.8301   -2.9330    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.8301   -1.2010    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   15.0564   -2.0911    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3660    1.7990    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3660    0.0670    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.2862   -2.1016    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942   -0.0670    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.0670    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -0.0670    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282   -1.5670    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.2862   -0.0323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3923   -0.5670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1923   -0.5462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3923   -1.5670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5263   -0.0670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1923   -1.5878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603   -0.5670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5263   -2.0670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603   -1.5670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7320    2.4330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.1233   -1.8770    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1  6  2  0  0  0  0
  1  7  2  0  0  0  0
  1 24  1  0  0  0  0
  1 33  1  0  0  0  0
  2 34  1  0  0  0  0
  3 34  1  0  0  0  0
  4 34  1  0  0  0  0
  5 18  2  0  0  0  0
  8 16  1  0  0  0  0
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  8 40  1  0  0  0  0
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  9 27  1  0  0  0  0
  9 45  1  0  0  0  0
 10 23  1  0  0  0  0
 10 26  1  0  0  0  0
 10 47  1  0  0  0  0
 11 26  2  0  0  0  0
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 15 37  1  0  0  0  0
 15 38  1  0  0  0  0
 16 20  1  0  0  0  0
 17 19  2  0  0  0  0
 17 39  1  0  0  0  0
 19 21  1  0  0  0  0
 20 21  2  0  0  0  0
 20 41  1  0  0  0  0
 21 42  1  0  0  0  0
 22 23  1  0  0  0  0
 22 25  2  0  0  0  0
 22 28  1  0  0  0  0
 23 43  1  0  0  0  0
 23 44  1  0  0  0  0
 24 25  1  0  0  0  0
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 25 46  1  0  0  0  0
 26 29  1  0  0  0  0
 28 31  2  0  0  0  0
 28 48  1  0  0  0  0
 29 32  2  0  0  0  0
 29 34  1  0  0  0  0
 30 31  1  0  0  0  0
 30 49  1  0  0  0  0
 31 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
M  END

$$$$
D02QBH
  -OEChem-10101305022D

 38 40  0     0  0  0  0  0  0999 V2000
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    2.0000    4.3053    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    7.7110   -3.6853    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6372   -3.6729    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
  1 14  1  0  0  0  0
  2 10  1  0  0  0  0
  2 21  1  0  0  0  0
  3 12  1  0  0  0  0
  3 22  1  0  0  0  0
  4  7  2  0  0  0  0
  4 15  1  0  0  0  0
  5 18  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
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  6  9  1  0  0  0  0
  7 11  1  0  0  0  0
  8 13  1  0  0  0  0
  9 10  2  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
 13 15  2  0  0  0  0
 13 25  1  0  0  0  0
 14 16  1  0  0  0  0
 14 17  2  0  0  0  0
 15 26  1  0  0  0  0
 16 18  2  0  0  0  0
 16 27  1  0  0  0  0
 17 19  1  0  0  0  0
 17 28  1  0  0  0  0
 18 20  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
 21 31  1  0  0  0  0
 21 32  1  0  0  0  0
 21 33  1  0  0  0  0
 22 34  1  0  0  0  0
 22 35  1  0  0  0  0
 22 36  1  0  0  0  0
M  END

$$$$
D02QBV
  -OEChem-10101305022D

 38 39  0     0  0  0  0  0  0999 V2000
    2.0000   -5.4050    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.9050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    3.5950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    2.5950    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    5.0950    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.0950    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
    4.5981   -0.9050    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
    5.4641    0.5950    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
    5.4641   -0.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.4050    0.0000 C   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
    5.4641    3.5950    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   -3.9050    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
    4.5981   -4.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    4.0950    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
    4.3860    2.6776    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9875    1.9873    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951    0.9050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    0.9050    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   -0.7150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    3.5200   -1.8224    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1215   -2.5127    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2520    4.1776    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8535    3.4873    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -3.5950    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -3.5950    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -5.2150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -6.0250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    5.4050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7932    5.4050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 18  1  0  0  0  0
  2  8  1  0  0  0  0
  2 13  1  0  0  0  0
  3 20  2  0  0  0  0
  4  7  1  0  0  0  0
  4 15  1  0  0  0  0
  4 26  1  0  0  0  0
  5 20  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  9  2  0  0  0  0
  6 10  1  0  0  0  0
  7 22  1  0  0  0  0
  7 23  1  0  0  0  0
  8 11  2  0  0  0  0
  8 12  1  0  0  0  0
  9 11  1  0  0  0  0
  9 24  1  0  0  0  0
 10 12  2  0  0  0  0
 10 25  1  0  0  0  0
 11 27  1  0  0  0  0
 12 28  1  0  0  0  0
 13 14  1  0  0  0  0
 13 29  1  0  0  0  0
 13 30  1  0  0  0  0
 14 16  2  0  0  0  0
 14 17  1  0  0  0  0
 15 20  1  0  0  0  0
 15 31  1  0  0  0  0
 15 32  1  0  0  0  0
 16 18  1  0  0  0  0
 16 33  1  0  0  0  0
 17 19  2  0  0  0  0
 17 34  1  0  0  0  0
 18 21  2  0  0  0  0
 19 21  1  0  0  0  0
 19 35  1  0  0  0  0
 21 36  1  0  0  0  0
M  END

$$$$
D02QCC
  -OEChem-10101305032D

 45 49  0     1  0  0  0  0  0999 V2000
    4.6929    0.0626    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7210   -3.0718    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3631    2.8136    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4023   -3.8390    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5283    4.6215    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3839    1.0136    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.3839    1.0136    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.0749    0.0626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8839   -0.5252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7910   -1.5627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5988   -3.7096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5865   -3.2606    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.6833   -2.1800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8492    1.9076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8427   -1.9937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9185    1.9076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1169   -0.3464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.3814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4047    2.8136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0090   -4.6215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0141   -4.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0032    1.8825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9399    3.7574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5602    2.8136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0249    3.7574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5392    0.9183    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2285    0.9183    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5277   -3.8778    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2822   -2.3401    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9436   -1.6172    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3702    2.3012    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3794    1.5030    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6195    0.0238    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4326   -1.6314    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4436   -4.8759    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2634   -5.1870    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5744   -4.3672    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5111   -4.1584    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6516   -5.0238    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5171   -4.8833    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3028    1.3397    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9657   -3.5803    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6279    4.2932    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1801    2.8065    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1482    4.6191    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
  2 11  1  0  0  0  0
  2 15  1  0  0  0  0
  3 14  1  0  0  0  0
  3 19  1  0  0  0  0
  4 12  1  0  0  0  0
  4 42  1  0  0  0  0
  5 25  1  0  0  0  0
  5 45  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6 14  1  0  0  0  0
  6 26  1  6  0  0  0
  7 16  1  0  0  0  0
  7 27  1  6  0  0  0
  8  9  2  0  0  0  0
  8 17  1  0  0  0  0
  9 10  1  0  0  0  0
 10 13  1  0  0  0  0
 10 15  2  0  0  0  0
 11 12  1  0  0  0  0
 11 20  1  0  0  0  0
 11 21  1  0  0  0  0
 12 13  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 31  1  0  0  0  0
 14 32  1  0  0  0  0
 15 18  1  0  0  0  0
 16 19  2  0  0  0  0
 16 22  1  0  0  0  0
 17 18  2  0  0  0  0
 17 33  1  0  0  0  0
 18 34  1  0  0  0  0
 19 23  1  0  0  0  0
 20 35  1  0  0  0  0
 20 36  1  0  0  0  0
 20 37  1  0  0  0  0
 21 38  1  0  0  0  0
 21 39  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 43  1  0  0  0  0
 24 25  1  0  0  0  0
 24 44  1  0  0  0  0
M  END

$$$$
D02QDW
  -OEChem-10101305022D

 34 34  0     1  0  0  0  0  0999 V2000
    6.3301   -0.8722    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4321   -0.0716    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.6278    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.8722    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.9673    1.5757    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2731    1.2156    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.9641    2.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9641    2.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6551    1.2156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.3722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.8722    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2242    0.9066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.3722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.8722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.3722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3701    0.6032    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5706    2.2956    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8993    2.7833    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.3576    2.2956    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0887    1.4678    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3451    0.6787    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -1.1822    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1306    0.1028    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3335    0.1028    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4675   -1.3471    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2646   -1.3471    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0611   -2.1822    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -2.1822    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5570    1.3841    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8384    2.1822    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100    0.1648    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -0.0622    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -0.9091    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  2  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 10  1  0  0  0  0
 11  4  1  1  0  0  0
  4 28  1  0  0  0  0
  4 29  1  0  0  0  0
  5 12  1  0  0  0  0
  5 30  1  0  0  0  0
  5 31  1  0  0  0  0
  6  7  1  0  0  0  0
  6 12  1  1  0  0  0
  6 16  1  0  0  0  0
  7  8  1  0  0  0  0
  7 17  1  0  0  0  0
  7 18  1  0  0  0  0
  8  9  1  0  0  0  0
  8 19  1  0  0  0  0
  8 20  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
 11 13  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  1  0  0  0  0
 14 26  1  0  0  0  0
 14 27  1  0  0  0  0
 15 32  1  0  0  0  0
 15 33  1  0  0  0  0
 15 34  1  0  0  0  0
M  END

$$$$
D02QEP
  -OEChem-10191522492D

 41 43  0     0  0  0  0  0  0999 V2000
    2.0000   -5.3100    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    4.6900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    3.1900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    3.1900    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.1900    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
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    4.5981    1.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.1350   -3.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1 22  1  0  0  0  0
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  3 11  2  0  0  0  0
  4  9  1  0  0  0  0
  4 10  1  0  0  0  0
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  6  8  1  0  0  0  0
  6 25  1  0  0  0  0
  7  9  1  0  0  0  0
  7 26  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 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
 12 13  1  0  0  0  0
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 13 15  2  0  0  0  0
 13 35  1  0  0  0  0
 14 36  1  0  0  0  0
 15 16  1  0  0  0  0
 15 37  1  0  0  0  0
 16 17  1  0  0  0  0
 17 19  3  0  0  0  0
 18 19  1  0  0  0  0
 18 20  2  0  0  0  0
 18 21  1  0  0  0  0
 20 22  1  0  0  0  0
 20 38  1  0  0  0  0
 21 23  2  0  0  0  0
 21 39  1  0  0  0  0
 22 24  2  0  0  0  0
 23 24  1  0  0  0  0
 23 40  1  0  0  0  0
 24 41  1  0  0  0  0
M  END

$$$$
D02QGI
  -OEChem-10101305022D

 21 20  0     0  0  0  0  0  0999 V2000
    2.5369    0.0600    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    3.4030    0.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5335    1.0350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    3.8705   -0.4149    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6675   -0.4149    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0000    0.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -0.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1 20  1  0  0  0  0
  1 21  1  0  0  0  0
  2  6  1  0  0  0  0
  2 18  1  0  0  0  0
  2 19  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3  8  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
  4 11  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 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
M  END

$$$$
D02QJW
  -OEChem-10191521482D

 60 60  0     0  0  0  0  0  0999 V2000
    2.8660   -6.2500    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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    6.0981   -0.1160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0981    1.6160    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
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    2.8660   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1 23  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
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  3 24  1  0  0  0  0
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  4  8  1  0  0  0  0
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 10 41  1  0  0  0  0
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 10 43  1  0  0  0  0
 11 38  1  0  0  0  0
 11 39  1  0  0  0  0
 11 40  1  0  0  0  0
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 12 44  1  0  0  0  0
 12 45  1  0  0  0  0
 13 15  1  0  0  0  0
 13 46  1  0  0  0  0
 13 47  1  0  0  0  0
 14 16  1  0  0  0  0
 14 48  1  0  0  0  0
 14 49  1  0  0  0  0
 15 17  1  0  0  0  0
 15 50  1  0  0  0  0
 15 51  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 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
 18 56  1  0  0  0  0
 19 21  1  0  0  0  0
 19 57  1  0  0  0  0
 20 22  2  0  0  0  0
 20 58  1  0  0  0  0
 21 23  2  0  0  0  0
 21 59  1  0  0  0  0
 22 23  1  0  0  0  0
 22 60  1  0  0  0  0
M  CHG  1   2   1
M  END

$$$$
D02QLY
  -OEChem-10101305022D

 45 48  0     0  0  0  0  0  0999 V2000
    2.8660    0.7963    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 20 24  2  0  0  0  0
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 22 23  1  0  0  0  0
 22 37  1  0  0  0  0
 23 38  1  0  0  0  0
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 25 27  2  0  0  0  0
 25 41  1  0  0  0  0
 26 28  2  0  0  0  0
 27 28  1  0  0  0  0
 27 42  1  0  0  0  0
 28 43  1  0  0  0  0
M  END

$$$$
D02QME
  -OEChem-10101305022D

 38 40  0     0  0  0  0  0  0999 V2000
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    2.0000    1.4050    0.0000 N   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
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    5.4641    2.4050    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
    3.7320    2.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.9050    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
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 19 35  1  0  0  0  0
 20 36  1  0  0  0  0
 21 37  1  0  0  0  0
M  END

$$$$
D02QML
  -OEChem-10101305022D

 35 37  0     0  0  0  0  0  0999 V2000
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 20 35  1  0  0  0  0
M  END

$$$$
D02QMU
  -OEChem-04152110342D

 62 67  0     0  0  0  0  0  0999 V2000
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 29 54  1  0  0  0  0
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 32 33  1  0  0  0  0
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 33 35  2  0  0  0  0
 33 60  1  0  0  0  0
 34 35  1  0  0  0  0
 34 61  1  0  0  0  0
 35 62  1  0  0  0  0
M  CHG  1   6   1
M  END

$$$$
D02QOD
  -OEChem-10191521432D

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M  END

$$$$
D02QOT
  -OEChem-04152122232D

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M  END

$$$$
D02QPP
  -OEChem-10101305032D

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    3.7320   -1.0000    0.0000 C   0  0  1  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
    3.7320   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    3.5000    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
    4.5981   -2.5000    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
    2.8660   -3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    2.5000    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    3.5000    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
    5.4641    0.3800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2520    2.5826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7320   -0.3800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    8.5991    2.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0000   -4.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    4.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  9  1  1  1  0  0  0
  1 37  1  0  0  0  0
  2 17  1  0  0  0  0
  2 41  1  0  0  0  0
  3 18  1  0  0  0  0
  3 42  1  0  0  0  0
  4 21  1  0  0  0  0
  4 43  1  0  0  0  0
  6  5  1  6  0  0  0
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  5 28  1  0  0  0  0
  6  7  1  0  0  0  0
  6 10  1  0  0  0  0
  6 23  1  0  0  0  0
  7 11  1  0  0  0  0
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  7 25  1  0  0  0  0
  8  9  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 29  1  0  0  0  0
 10 30  1  0  0  0  0
 10 31  1  0  0  0  0
 10 32  1  0  0  0  0
 11 13  2  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 19  1  0  0  0  0
 13 33  1  0  0  0  0
 14 20  2  0  0  0  0
 14 34  1  0  0  0  0
 15 18  1  0  0  0  0
 15 35  1  0  0  0  0
 16 17  2  0  0  0  0
 16 36  1  0  0  0  0
 17 22  1  0  0  0  0
 18 22  2  0  0  0  0
 19 21  2  0  0  0  0
 19 38  1  0  0  0  0
 20 21  1  0  0  0  0
 20 39  1  0  0  0  0
 22 40  1  0  0  0  0
M  END

$$$$
D02QQD
  -OEChem-10191522492D

 41 43  0     1  0  0  0  0  0999 V2000
   10.6279   -3.2734    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.5443    0.2520    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.6279    1.9227    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8550    2.8120    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.0567    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.6279    0.1907    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5443    1.8614    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.1279    1.0567    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.5981    1.5567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.5567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1279    1.0567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.0567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.5567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.5567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6279    0.1907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.0567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.0567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1279   -0.6753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1279   -0.6753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6279   -1.5414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6279   -1.5414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1279   -2.4074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1279   -2.4074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1068    2.3008    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4096    0.5044    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.6767    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    6.4616    2.9398    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    1.6900    1.5198    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900    0.5936    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -0.2533    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   -0.4802    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4379   -0.1384    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0079   -1.5414    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2479   -1.5414    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8179   -2.9443    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 23  1  0  0  0  0
  2  8  1  0  0  0  0
  2 10  1  0  0  0  0
  3 11  2  0  0  0  0
  4  7  1  0  0  0  0
  4 27  1  0  0  0  0
  4 28  1  0  0  0  0
  5 10  1  0  0  0  0
  5 14  2  0  0  0  0
  6 11  1  0  0  0  0
  6 15  1  0  0  0  0
  6 29  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 11  1  0  0  0  0
  8 25  1  0  0  0  0
  9 10  2  0  0  0  0
  9 12  1  0  0  0  0
 12 13  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 17  1  0  0  0  0
 15 18  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 35  1  0  0  0  0
 17 36  1  0  0  0  0
 17 37  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 38  1  0  0  0  0
 20 22  2  0  0  0  0
 20 39  1  0  0  0  0
 21 23  2  0  0  0  0
 21 40  1  0  0  0  0
 22 23  1  0  0  0  0
 22 41  1  0  0  0  0
M  END

$$$$
D02QSH
  -OEChem-10101305022D

 36 39  0     1  0  0  0  0  0999 V2000
    4.4487    3.3100    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.9930   -0.8853    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9930   -2.4947    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4487   -2.6900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5827   -1.1900    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.5264    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4487   -0.6900    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.3147   -1.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4487    0.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1808   -0.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3147   -2.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0468   -1.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0468   -2.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1808   -2.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3147    0.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5827    0.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4782   -2.1845    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6691   -0.7833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5766   -1.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3147    1.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5827    1.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5000   -2.3924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4487    2.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7126   -0.2650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    5.8517    0.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    5.8517    2.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.2478   -2.9588    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4487   -3.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 23  1  0  0  0  0
  2 12  1  0  0  0  0
  2 19  1  0  0  0  0
  3 13  1  0  0  0  0
  3 19  1  0  0  0  0
  4 11  1  0  0  0  0
  4 36  1  0  0  0  0
  5  7  1  0  0  0  0
  5 17  1  0  0  0  0
  5 18  1  0  0  0  0
  6 18  2  0  0  0  0
  6 22  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  2  0  0  0  0
  8 11  1  0  0  0  0
  9 15  2  0  0  0  0
  9 16  1  0  0  0  0
 10 12  1  0  0  0  0
 10 25  1  0  0  0  0
 11 14  2  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 26  1  0  0  0  0
 15 20  1  0  0  0  0
 15 27  1  0  0  0  0
 16 21  2  0  0  0  0
 16 28  1  0  0  0  0
 17 22  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
 19 32  1  0  0  0  0
 20 23  2  0  0  0  0
 20 33  1  0  0  0  0
 21 23  1  0  0  0  0
 21 34  1  0  0  0  0
 22 35  1  0  0  0  0
M  END

$$$$
D02QTB
  -OEChem-10101305022D

 53 56  0     0  0  0  0  0  0999 V2000
    4.3080   -1.2073    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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    6.4662    0.6109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3797    0.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2752   -0.7903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9945    1.9039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0000    2.0085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.3797    2.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0057    1.6695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2457    3.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.4890   -2.9298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.0057    3.7389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9118    2.1834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9118    3.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.4475    1.8713    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4475    3.5371    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 17  1  0  0  0  0
  2 13  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  5  1  0  0  0  0
  4 30  1  0  0  0  0
  4 31  1  0  0  0  0
  5  7  1  0  0  0  0
  5 32  1  0  0  0  0
  5 33  1  0  0  0  0
  6 10  2  0  0  0  0
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  7 34  1  0  0  0  0
  7 35  1  0  0  0  0
  8  9  2  0  0  0  0
  8 36  1  0  0  0  0
  9 10  1  0  0  0  0
  9 13  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
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 14 15  1  0  0  0  0
 14 20  2  0  0  0  0
 15 19  1  0  0  0  0
 15 21  2  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
 17 24  2  0  0  0  0
 18 25  1  0  0  0  0
 18 43  1  0  0  0  0
 19 22  1  0  0  0  0
 19 26  2  0  0  0  0
 20 23  1  0  0  0  0
 20 44  1  0  0  0  0
 21 28  1  0  0  0  0
 21 45  1  0  0  0  0
 22 23  2  0  0  0  0
 22 46  1  0  0  0  0
 23 47  1  0  0  0  0
 24 27  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 29  1  0  0  0  0
 26 50  1  0  0  0  0
 27 51  1  0  0  0  0
 28 29  2  0  0  0  0
 28 52  1  0  0  0  0
 29 53  1  0  0  0  0
M  END

$$$$
D02QTE
  -OEChem-10191521362D

 33 34  0     0  0  0  0  0  0999 V2000
    6.0010   -2.5000    0.0000 Cl  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
    4.2690   -3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -2.0000    0.0000 N   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
    5.1350    1.0000    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
    6.0010    3.5000    0.0000 N   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
    4.2690   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -1.0000    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
    3.4030   -4.0000    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
    4.2690    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
    4.2690    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
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    3.0930   -3.4631    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -4.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7130   -4.5369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4450   -3.4631    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6720    0.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.1900    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
    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
  1 12  1  0  0  0  0
  2 15  2  0  0  0  0
  3  9  1  0  0  0  0
  3 13  1  0  0  0  0
  3 14  1  0  0  0  0
  4  9  2  0  0  0  0
  4 11  1  0  0  0  0
  5 10  1  0  0  0  0
  5 12  2  0  0  0  0
  6 15  1  0  0  0  0
  6 16  1  0  0  0  0
  6 27  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 18  1  0  0  0  0
  8 20  2  0  0  0  0
  9 12  1  0  0  0  0
 10 11  2  0  0  0  0
 10 15  1  0  0  0  0
 13 23  1  0  0  0  0
 13 24  1  0  0  0  0
 13 25  1  0  0  0  0
 14 21  1  0  0  0  0
 14 22  1  0  0  0  0
 14 26  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  2  0  0  0  0
 17 19  2  0  0  0  0
 17 28  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
M  END

$$$$
D02QUS
  -OEChem-10191522392D

 38 41  0     1  0  0  0  0  0999 V2000
    2.0000   -3.7035    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    8.3424    0.5824    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.2216   -1.9208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8126    1.0824    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5743   -1.3856    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.3586    3.4944    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.7588    1.3872    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.8126    0.0824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7588   -0.2223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8615   -0.2266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8615    1.3914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0694    2.3377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2737    0.5824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5525   -1.1776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4016    3.0820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0479    2.5439    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7122    4.0325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2653   -2.3366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6908    4.2387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2872   -2.5445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9344   -3.0798    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9782   -3.4956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6254   -4.0308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6473   -4.2387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3713    1.4834    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5077   -0.7892    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2962   -0.5315    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6699    1.9811    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6537    0.5824    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7949    2.9541    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4620    2.0824    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1595   -0.9248    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2982    4.4940    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8834    4.8280    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8723   -2.0838    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5409   -2.9508    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0403   -4.4916    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4557   -4.8284    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 22  1  0  0  0  0
  2  7  1  0  0  0  0
  2  9  1  0  0  0  0
  3 14  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 14  1  0  0  0  0
  5 18  1  0  0  0  0
  5 32  1  0  0  0  0
  6 16  1  0  0  0  0
  6 19  2  0  0  0  0
  7 12  1  0  0  0  0
  7 25  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  2  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 14  1  0  0  0  0
 11 13  2  0  0  0  0
 11 28  1  0  0  0  0
 12 15  1  0  0  0  0
 12 16  2  0  0  0  0
 13 29  1  0  0  0  0
 15 17  2  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 33  1  0  0  0  0
 18 20  2  0  0  0  0
 18 21  1  0  0  0  0
 19 34  1  0  0  0  0
 20 22  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 24  2  0  0  0  0
 23 24  1  0  0  0  0
 23 37  1  0  0  0  0
 24 38  1  0  0  0  0
M  END

$$$$
D02QWB
  -OEChem-10101305022D

 25 25  0     0  0  0  0  0  0999 V2000
    4.2690   -1.3644    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    0.1356    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    0.6356    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9030   -0.7304    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -2.3644    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2690   -1.3644    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9030    1.0016    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2690   -1.3644    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    1.1356    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6350    2.6744    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -0.3644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    0.1356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9440    1.7234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3260    1.7234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6350    2.6744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.2556    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3471   -0.4470    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7456    0.2432    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5337    1.5318    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7363    1.5318    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.3256    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2830   -0.7304    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.9590   -1.9014    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9994    3.1760    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1  6  1  0  0  0  0
  1  8  2  0  0  0  0
  1 11  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  7  2  0  0  0  0
  2 11  1  0  0  0  0
  3 21  1  0  0  0  0
  4 22  1  0  0  0  0
  5 23  1  0  0  0  0
  6 24  1  0  0  0  0
  9 12  1  0  0  0  0
  9 13  1  0  0  0  0
  9 14  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
 11 16  1  0  0  0  0
 12 17  1  0  0  0  0
 12 18  1  0  0  0  0
 13 15  2  0  0  0  0
 13 19  1  0  0  0  0
 14 20  1  0  0  0  0
 15 25  1  0  0  0  0
M  END

$$$$
D02QWO
  -OEChem-10101305032D

 85 91  0     1  0  0  0  0  0999 V2000
    7.1982    0.9518    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6738    3.3922    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9311    3.9528    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7312    3.3953    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0588   -2.9528    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3259   -3.9528    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7975   -0.5489    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    2.8660    1.4521    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    8.9311   -0.0486    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.7325    0.9518    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.9311    0.9518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5989    1.4521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6640   -0.0486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7975    1.4521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6640    0.9518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    2.4526    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5989    2.4526    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7325    2.9528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5245   -0.9518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3259    0.0486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0646    1.4521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END

$$$$
D02QXF
  -OEChem-10101305022D

 35 36  0     1  0  0  0  0  0999 V2000
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 17 33  1  0  0  0  0
M  END

$$$$
D02QXT
  -OEChem-10101305022D

 31 33  0     0  0  0  0  0  0999 V2000
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M  END

$$$$
D02QZF
  -OEChem-10101305022D

 32 34  0     0  0  0  0  0  0999 V2000
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  1 16  2  0  0  0  0
  2  3  1  0  0  0  0
  2  6  1  0  0  0  0
  2  8  1  0  0  0  0
  3  7  2  0  0  0  0
  4 16  1  0  0  0  0
  4 31  1  0  0  0  0
  4 32  1  0  0  0  0
  5  7  1  0  0  0  0
  5  8  2  0  0  0  0
  5 11  1  0  0  0  0
  6  9  1  0  0  0  0
  6 20  1  0  0  0  0
  6 21  1  0  0  0  0
  7 10  1  0  0  0  0
  8 22  1  0  0  0  0
  9 14  2  0  0  0  0
  9 15  1  0  0  0  0
 10 12  2  0  0  0  0
 10 16  1  0  0  0  0
 11 13  2  0  0  0  0
 11 23  1  0  0  0  0
 12 13  1  0  0  0  0
 12 24  1  0  0  0  0
 13 25  1  0  0  0  0
 14 17  1  0  0  0  0
 14 26  1  0  0  0  0
 15 18  2  0  0  0  0
 15 27  1  0  0  0  0
 17 19  2  0  0  0  0
 17 28  1  0  0  0  0
 18 19  1  0  0  0  0
 18 29  1  0  0  0  0
 19 30  1  0  0  0  0
M  END

$$$$
D02RAN
  -OEChem-10111523252D

 21 21  0     0  0  0  0  0  0999 V2000
    6.2633   -0.4016    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.8090   -1.0405    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3090    0.4983    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.9575   -0.0415    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7985    1.2456    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5691   -0.7617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6180   -0.4527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3122   -0.0926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3090    0.4983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.4527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0064    0.2675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2780   -1.3092    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6734    0.9999    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4103   -0.6443    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2593    1.6605    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
  1 11  1  0  0  0  0
  2  7  1  0  0  0  0
  2 10  1  0  0  0  0
  2 16  1  0  0  0  0
  3  9  1  0  0  0  0
  3 10  2  0  0  0  0
  4 11  1  0  0  0  0
  4 19  1  0  0  0  0
  4 20  1  0  0  0  0
  5 11  2  0  0  0  0
  5 21  1  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 13  1  0  0  0  0
  7  9  2  0  0  0  0
  8 14  1  0  0  0  0
  8 15  1  0  0  0  0
  9 17  1  0  0  0  0
 10 18  1  0  0  0  0
M  END

$$$$
D02RAY
  -OEChem-10101305022D

 51 54  0     1  0  0  0  0  0999 V2000
    5.5103    1.5072    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2762    2.5450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8680   -2.0484    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8680   -0.0001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1223   -2.0212    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    7.2641   -1.5242    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2641   -0.5242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981   -2.0242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1741   -0.0174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9878   -1.5370    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981   -0.0242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0134   -0.5456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5320   -1.5242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.3820    1.0173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1821    1.0242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1149   -3.0211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2800    1.5450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.4987    2.5072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1403    3.0484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0000   -0.4967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2636   -2.3742    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    6.7966   -2.4992    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1 15  1  0  0  0  0
  1 23  1  0  0  0  0
  2 18  1  0  0  0  0
  2 24  1  0  0  0  0
  3 21  1  0  0  0  0
  3 25  1  0  0  0  0
  4 22  1  0  0  0  0
  4 26  1  0  0  0  0
  5  6  1  0  0  0  0
  5 10  1  0  0  0  0
  5 17  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6 27  1  6  0  0  0
  7  9  1  0  0  0  0
  7 11  2  0  0  0  0
  8 13  1  0  0  0  0
  8 28  1  0  0  0  0
  8 29  1  0  0  0  0
  9 12  1  0  0  0  0
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 10 12  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 15  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 19  2  0  0  0  0
 14 20  2  0  0  0  0
 15 18  2  0  0  0  0
 16 18  1  0  0  0  0
 16 34  1  0  0  0  0
 17 35  1  0  0  0  0
 17 36  1  0  0  0  0
 17 37  1  0  0  0  0
 19 21  1  0  0  0  0
 19 38  1  0  0  0  0
 20 22  1  0  0  0  0
 20 39  1  0  0  0  0
 21 22  2  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
M  END

$$$$
D02RBK
  -OEChem-10101305032D

 28 30  0     0  0  0  0  0  0999 V2000
    6.2619    0.4041    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.6783   -0.4006    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783    1.2088    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.5959    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.9041    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    2.4041    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7320   -0.0959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9674   -1.5574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.9041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2619    0.4041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.4041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2781   -2.5079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6353   -0.8131    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.6138   -1.0193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.0959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1 11  1  0  0  0  0
  2  7  1  0  0  0  0
  2  8  1  0  0  0  0
  2 11  1  0  0  0  0
  3 10  1  0  0  0  0
  3 11  2  0  0  0  0
  4  8  2  0  0  0  0
  4 17  1  0  0  0  0
  5 12  1  0  0  0  0
  5 17  2  0  0  0  0
  6 12  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 19  1  0  0  0  0
  7 20  1  0  0  0  0
  8 10  1  0  0  0  0
  9 13  2  0  0  0  0
  9 14  1  0  0  0  0
 10 12  2  0  0  0  0
 13 15  1  0  0  0  0
 13 21  1  0  0  0  0
 14 16  2  0  0  0  0
 14 22  1  0  0  0  0
 15 18  2  0  0  0  0
 15 23  1  0  0  0  0
 16 18  1  0  0  0  0
 16 24  1  0  0  0  0
 17 25  1  0  0  0  0
 18 26  1  0  0  0  0
M  END

$$$$
D02RBQ
  -OEChem-08301509482D

 36 37  0     0  0  0  0  0  0999 V2000
    7.1962    3.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7320    0.2500    0.0000 N   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
    6.3301    3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.5981    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8660   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 17 33  1  0  0  0  0
 18 34  1  0  0  0  0
 18 35  1  0  0  0  0
 18 36  1  0  0  0  0
M  END

$$$$
D02RBU
  -OEChem-10101305022D

 33 33  0     0  0  0  0  0  0999 V2000
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 16 30  1  0  0  0  0
 16 31  1  0  0  0  0
 16 32  1  0  0  0  0
M  END

$$$$
D02RDY
  -OEChem-10191521522D

 67 71  0     1  0  0  0  0  0999 V2000
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 35 67  1  0  0  0  0
M  END

$$$$
D02REM
          03121001042D 1   1.00000     0.00000     0

 36 39  0     1  0            999 V2000
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 31 36  1  0     0  0
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 32 35  2  0     0  0
M  END

$$$$
D02RGB
  -OEChem-10191522212D

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M  END

$$$$
D02RIE
  -OEChem-10101305022D

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M  END

$$$$
D02RIG
  -OEChem-10101305032D

 24 25  0     0  0  0  0  0  0999 V2000
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 13 22  1  0  0  0  0
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M  END

$$$$
D02RIH
  -OEChem-10191521162D

 40 41  0     1  0  0  0  0  0999 V2000
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    4.5981    2.3100    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
    2.0000   -0.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2002    0.2350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -2.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0611    1.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4220   -1.6531    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951   -2.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0420   -2.7269    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8862   -2.7269    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331   -2.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5062   -1.6531    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    2.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0611    2.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    3.4300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100    0.3469    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    0.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -0.7269    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 22  1  0  0  0  0
  2 22  1  0  0  0  0
  3 22  1  0  0  0  0
  4 18  1  0  0  0  0
  4 25  1  0  0  0  0
  5 18  2  0  0  0  0
  6  9  1  0  0  0  0
  7  9  2  0  0  0  0
  8 14  1  0  0  0  0
  8 15  1  0  0  0  0
  8 27  1  0  0  0  0
  9 12  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 26  1  1  0  0  0
 11 14  2  0  0  0  0
 11 18  1  0  0  0  0
 12 15  2  0  0  0  0
 13 16  1  0  0  0  0
 13 17  2  0  0  0  0
 14 19  1  0  0  0  0
 15 20  1  0  0  0  0
 16 21  2  0  0  0  0
 16 22  1  0  0  0  0
 17 23  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 32  1  0  0  0  0
 20 33  1  0  0  0  0
 20 34  1  0  0  0  0
 21 24  1  0  0  0  0
 21 35  1  0  0  0  0
 23 24  2  0  0  0  0
 23 36  1  0  0  0  0
 24 37  1  0  0  0  0
 25 38  1  0  0  0  0
 25 39  1  0  0  0  0
 25 40  1  0  0  0  0
M  CHG  2   6  -1   9   1
M  END

$$$$
D02RJA
  -OEChem-10101305022D

 34 35  0     0  0  0  0  0  0999 V2000
    3.0000   -2.3450    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -1.3450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1962    1.6550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8660    2.1550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.3450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0000   -2.3450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -3.3450    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7320    0.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5981    2.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7320    1.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8660    0.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8660   -0.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5981    0.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4641    1.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5981    3.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3301    2.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7320   -1.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5981   -0.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4641    3.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3301    3.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0622    2.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3291    0.4650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1350    0.4650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4641    1.0350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0611    3.4650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7320   -1.9650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1350   -1.1550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4641    4.2750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8671    3.4650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3722    1.6181    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5991    2.4650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7522    2.6919    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4631   -3.6550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5369   -3.6550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  5  2  0  0  0  0
  1  6  2  0  0  0  0
  1  7  1  0  0  0  0
  2 12  1  0  0  0  0
  3 16  1  0  0  0  0
  3 21  1  0  0  0  0
  4 10  2  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 11  2  0  0  0  0
  8 13  1  0  0  0  0
  9 10  1  0  0  0  0
  9 14  2  0  0  0  0
  9 15  1  0  0  0  0
 11 12  1  0  0  0  0
 11 22  1  0  0  0  0
 12 17  2  0  0  0  0
 13 18  2  0  0  0  0
 13 23  1  0  0  0  0
 14 16  1  0  0  0  0
 14 24  1  0  0  0  0
 15 19  2  0  0  0  0
 15 25  1  0  0  0  0
 16 20  2  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
 19 20  1  0  0  0  0
 19 28  1  0  0  0  0
 20 29  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
M  END

$$$$
D02RMR
  -OEChem-10101305022D

 27 28  0     0  0  0  0  0  0999 V2000
    2.8660   -0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4103    1.0547    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4103   -0.5547    0.0000 N   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
    5.4641    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.2500    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
    4.5981    1.2500    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
    3.7320   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9939    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8101   -2.3326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2087   -1.6423    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2646    1.7250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4675    1.7250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6029    1.6440    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4220   -1.7131    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951   -2.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0420   -2.7869    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900    1.2869    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    0.4400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100    0.2131    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6139    0.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  2  0  0  0  0
  2 11  2  0  0  0  0
  3  7  1  0  0  0  0
  3  9  1  0  0  0  0
  3 10  1  0  0  0  0
  4  9  1  0  0  0  0
  4 11  1  0  0  0  0
  4 12  1  0  0  0  0
  5  8  1  0  0  0  0
  5 15  1  0  0  0  0
  5 20  1  0  0  0  0
  6  7  1  0  0  0  0
  6 15  2  0  0  0  0
  7  8  2  0  0  0  0
  8 11  1  0  0  0  0
 10 13  1  0  0  0  0
 10 16  1  0  0  0  0
 10 17  1  0  0  0  0
 12 14  1  0  0  0  0
 12 18  1  0  0  0  0
 12 19  1  0  0  0  0
 13 21  1  0  0  0  0
 13 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 27  1  0  0  0  0
M  END

$$$$
D02RMS
  -OEChem-10101305022D

 27 28  0     1  0  0  0  0  0999 V2000
    3.7320   -0.8870    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2764    0.9177    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.8600    0.1130    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.3870    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.5981    0.6130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.8870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.1130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.3870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.6130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2764   -0.6918    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.3870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.8870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.0070    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3860    1.1956    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9875    0.5053    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0656   -1.3620    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8626   -1.3620    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8626    1.5879    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0656    1.5879    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.5070    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2646    0.0879    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4675    0.0879    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4690   -1.2811    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4690    1.5070    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -0.3501    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -1.1970    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   -1.4240    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
  1 20  1  0  0  0  0
  2  3  1  0  0  0  0
  2  9  1  0  0  0  0
  2 24  1  0  0  0  0
  3 10  2  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4 13  1  0  0  0  0
  5  7  1  0  0  0  0
  5 14  1  0  0  0  0
  5 15  1  0  0  0  0
  6  8  1  0  0  0  0
  6 16  1  0  0  0  0
  6 17  1  0  0  0  0
  7  9  1  0  0  0  0
  7 18  1  0  0  0  0
  7 19  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 23  1  0  0  0  0
 11 12  1  0  0  0  0
 11 21  1  0  0  0  0
 11 22  1  0  0  0  0
 12 25  1  0  0  0  0
 12 26  1  0  0  0  0
 12 27  1  0  0  0  0
M  END

$$$$
D02RNH
  -OEChem-10101305032D

 14 13  0     0  0  0  0  0  0999 V2000
    3.7320    0.5950    0.0000 Se  0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.5950    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.9050    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.0950    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
    4.5981    0.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4675   -0.3799    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2646   -0.3799    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100    1.1319    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
    1.6900    0.0581    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    0.2850    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
    4.0611   -1.2150    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  6  1  0  0  0  0
  2 12  1  0  0  0  0
  2 13  1  0  0  0  0
  3  6  2  0  0  0  0
  3 14  1  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  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
M  END

$$$$
D02RQP
  -OEChem-10191521432D

 33 34  0     0  0  0  0  0  0999 V2000
    3.0000   -4.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    4.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1340   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8660    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8660   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1340    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1340   -2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8660    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8660   -2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1340    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3800    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0000   -0.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6200    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0000    0.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5970   -1.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4030    1.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4030   -1.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5970    1.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5970   -2.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4030    2.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4030   -2.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5970    2.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4631   -4.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5369    4.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 16  1  0  0  0  0
  1 32  1  0  0  0  0
  2 17  1  0  0  0  0
  2 33  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  2  0  0  0  0
  4 10  1  0  0  0  0
  5  9  2  0  0  0  0
  5 11  1  0  0  0  0
  6 21  1  0  0  0  0
  6 22  1  0  0  0  0
  6 23  1  0  0  0  0
  7 18  1  0  0  0  0
  7 19  1  0  0  0  0
  7 20  1  0  0  0  0
  8 12  1  0  0  0  0
  8 24  1  0  0  0  0
  9 13  1  0  0  0  0
  9 25  1  0  0  0  0
 10 14  2  0  0  0  0
 10 26  1  0  0  0  0
 11 15  2  0  0  0  0
 11 27  1  0  0  0  0
 12 16  2  0  0  0  0
 12 28  1  0  0  0  0
 13 17  2  0  0  0  0
 13 29  1  0  0  0  0
 14 16  1  0  0  0  0
 14 30  1  0  0  0  0
 15 17  1  0  0  0  0
 15 31  1  0  0  0  0
M  END

$$$$
D02RRY
  -OEChem-10191521432D

 36 38  0     0  0  0  0  0  0999 V2000
    4.9889   -0.7925    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.9394   -1.1031    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0384   -0.4818    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5852    3.5477    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.2961    2.3910    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783   -1.7430    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783   -3.3524    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2746    2.5972    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.0477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2996    0.1581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2619   -2.5477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.0477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2781    0.3643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6318    0.9024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.5477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2619   -2.5477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.5477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5888    1.3148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9424    1.8529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9459   -0.3800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9209    2.0591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.0477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.0477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0251    0.7745    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.9277    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2619   -3.1677    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8819   -2.5477    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2619   -1.9277    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -4.1677    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1954    1.4427    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4845   -0.7941    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3600   -0.8415    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4074    0.0340    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1135    2.6484    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -1.7377    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -3.3577    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 10  1  0  0  0  0
  4  8  1  0  0  0  0
  5  8  2  0  0  0  0
  6  9  1  0  0  0  0
  6 11  1  0  0  0  0
  7 11  2  0  0  0  0
  7 12  1  0  0  0  0
  8 19  1  0  0  0  0
  9 12  1  0  0  0  0
  9 15  2  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
 12 17  2  0  0  0  0
 13 18  1  0  0  0  0
 13 20  1  0  0  0  0
 14 19  2  0  0  0  0
 14 24  1  0  0  0  0
 15 22  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
 17 23  1  0  0  0  0
 17 29  1  0  0  0  0
 18 21  2  0  0  0  0
 18 30  1  0  0  0  0
 19 21  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 34  1  0  0  0  0
 22 23  2  0  0  0  0
 22 35  1  0  0  0  0
 23 36  1  0  0  0  0
M  CHG  2   4  -1   8   1
M  END

$$$$
D02RTS
  -OEChem-10191521482D

 21 20  0     0  0  0  0  0  0999 V2000
    4.7690   -1.0005    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -0.1345    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    1.3655    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -2.1345    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2690    1.5976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -2.1345    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2690   -0.1345    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -0.1345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -0.6345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7690    0.7315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    0.3655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7690    0.7315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -1.6345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1909   -0.0519    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7924   -0.7422    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3516    0.9436    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6613    1.3421    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4590   -1.5374    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5380    0.1755    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.8245    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5790    2.1345    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
  1 18  1  0  0  0  0
  2 11  1  0  0  0  0
  2 19  1  0  0  0  0
  3 11  2  0  0  0  0
  4 13  1  0  0  0  0
  4 20  1  0  0  0  0
  5 12  1  0  0  0  0
  5 21  1  0  0  0  0
  6 13  2  0  0  0  0
  7 12  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
  9 13  1  0  0  0  0
  9 14  1  0  0  0  0
  9 15  1  0  0  0  0
 10 12  1  0  0  0  0
 10 16  1  0  0  0  0
 10 17  1  0  0  0  0
M  END

$$$$
D02RUV
  -OEChem-10101305022D

 24 24  0     1  0  0  0  0  0999 V2000
    3.2601   -1.6307    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.3706    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7601   -0.0919    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.3479    0.7172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5691   -0.6796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1723    0.7172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9511   -0.6796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2601   -1.6307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3424    0.6126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9411    1.6307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7123    1.2188    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1355   -0.9318    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8791   -0.1427    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6739    1.0816    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8079    1.2188    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6707    0.3527    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1953   -2.2473    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8665   -1.7596    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2776   -0.0040    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9590    0.5478    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4072    1.2292    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5075    1.8829    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6890    2.1971    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3747    1.3785    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  7  2  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3  6  1  0  0  0  0
  3  7  1  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  8  1  0  0  0  0
  5 12  1  0  0  0  0
  5 13  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
  8 17  1  0  0  0  0
  8 18  1  0  0  0  0
  9 19  1  0  0  0  0
  9 20  1  0  0  0  0
  9 21  1  0  0  0  0
 10 22  1  0  0  0  0
 10 23  1  0  0  0  0
 10 24  1  0  0  0  0
M  END

$$$$
D02RUZ
          07131001122D 1   1.00000     0.00000     0

 32 35  0     1  0            999 V2000
    2.8667   -2.8875    0.0000 C   0  0  0  0  0  0           0  0  0
    8.5917   -0.4000    0.0000 C   0  0  0  0  0  0           0  0  0
    9.3125   -0.8167    0.0000 C   0  0  1  0  0  0           0  0  0
   10.0667   -0.4750    0.0000 C   0  0  2  0  0  0           0  0  0
   10.2292    0.3333    0.0000 C   0  0  0  0  0  0           0  0  0
    3.5792   -3.3000    0.0000 N   0  0  0  0  0  0           0  0  0
    2.1542   -3.3000    0.0000 N   0  0  0  0  0  0           0  0  0
    7.8792   -0.8167    0.0000 C   0  0  0  0  0  0           0  0  0
    2.8667   -2.0625    0.0000 O   0  0  0  0  0  0           0  0  0
    6.4417   -1.6417    0.0000 C   0  0  0  0  0  0           0  0  0
    5.7292   -2.0625    0.0000 C   0  0  0  0  0  0           0  0  0
    8.5917    0.4250    0.0000 O   0  0  0  0  0  0           0  0  0
    9.6167    0.8833    0.0000 O   0  0  0  0  0  0           0  0  0
    7.1542   -0.4042    0.0000 C   0  0  0  0  0  0           0  0  0
    7.8792   -1.6500    0.0000 C   0  0  0  0  0  0           0  0  0
    6.4375   -0.8167    0.0000 C   0  0  0  0  0  0           0  0  0
    7.1542   -2.0667    0.0000 C   0  0  0  0  0  0           0  0  0
    5.0042   -1.6500    0.0000 C   0  0  0  0  0  0           0  0  0
    5.7292   -2.8917    0.0000 C   0  0  0  0  0  0           0  0  0
    4.2917   -2.8875    0.0000 C   0  0  0  0  0  0           0  0  0
   11.0167    0.5958    0.0000 O   0  0  0  0  0  0           0  0  0
    1.4375   -2.8875    0.0000 C   0  0  0  0  0  0           0  0  0
    4.2917   -2.0625    0.0000 C   0  0  0  0  0  0           0  0  0
    5.0125   -3.3042    0.0000 C   0  0  0  0  0  0           0  0  0
    9.4000   -1.6292    0.0000 C   0  0  0  0  0  0           0  0  0
   10.6250   -1.0792    0.0000 C   0  0  0  0  0  0           0  0  0
   10.2042   -1.8042    0.0000 C   0  0  0  0  0  0           0  0  0
    1.4417   -2.0542    0.0000 C   0  0  0  0  0  0           0  0  0
    0.7292   -3.2917    0.0000 C   0  0  0  0  0  0           0  0  0
    0.0167   -2.8875    0.0000 C   0  0  0  0  0  0           0  0  0
    0.7292   -1.6417    0.0000 C   0  0  0  0  0  0           0  0  0
    0.0125   -2.0542    0.0000 C   0  0  0  0  0  0           0  0  0
  2  8  1  0     0  0
  3  2  1  1     0  0
  4  3  1  0     0  0
  4  5  1  6     0  0
  6  1  1  0     0  0
  7  1  1  0     0  0
  8 15  2  0     0  0
  9  1  2  0     0  0
 10 11  1  0     0  0
 11 19  2  0     0  0
 12  2  2  0     0  0
 13  5  2  0     0  0
 14 16  2  0     0  0
 15 17  1  0     0  0
 16 10  1  0     0  0
 17 10  2  0     0  0
 18 23  2  0     0  0
 19 24  1  0     0  0
 20  6  1  0     0  0
 21  5  1  0     0  0
 22  7  1  0     0  0
 23 20  1  0     0  0
 24 20  2  0     0  0
 25  3  1  0     0  0
 26  4  1  0     0  0
 27 25  1  0     0  0
 28 22  2  0     0  0
 29 22  1  0     0  0
 30 29  2  0     0  0
 31 28  1  0     0  0
 32 30  1  0     0  0
 11 18  1  0     0  0
 32 31  2  0     0  0
  8 14  1  0     0  0
 26 27  1  0     0  0
M  END

$$$$
D02RWC
  -OEChem-10191522112D

 60 64  0     0  0  0  0  0  0999 V2000
    3.0000   -2.7059    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    2.2941    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.2941    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.0000    1.2941    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   15.0561   -0.7059    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5981   -0.2059    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.4725   -1.5106    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.9282   -1.7059    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.1700    2.1684    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4641   -1.7059    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7320   -1.7059    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.5263   -0.2059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5263   -1.2059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4725    0.0988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7942   -1.2059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1 36  1  0  0  0  0
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 29 31  1  0  0  0  0
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 35 58  1  0  0  0  0
 36 38  1  0  0  0  0
 37 38  2  0  0  0  0
 37 59  1  0  0  0  0
 38 60  1  0  0  0  0
M  END

$$$$
D02RWK
  BIDD-NUS20110812001D

 36 42  0     1  0            999 V2000
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  2 12  1  0     0  0
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  8  4  2  0     0  0
  9  7  2  0     0  0
 10  1  1  0     0  0
 11  4  1  0     0  0
 12  5  1  0     0  0
 13 10  2  0     0  0
 14 15  1  0     0  0
 15  5  1  0     0  0
 16  7  1  0     0  0
 17  8  1  0     0  0
 18 16  1  0     0  0
 19 11  1  0     0  0
  2 20  1  6     0  0
 21  9  1  0     0  0
 22 16  2  0     0  0
 23 20  2  0     0  0
  2 24  1  1     0  0
 25 20  1  0     0  0
 26 10  1  0     0  0
 27 13  1  0     0  0
 14 28  1  0     0  0
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 30 17  1  0     0  0
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 35 30  2  0     0  0
 36 31  2  0     0  0
  6 13  1  0     0  0
  2 14  1  0     0  0
 27 34  2  0     0  0
  9  8  1  0     0  0
 17 19  2  0     0  0
 21 18  1  0     0  0
 36 35  1  0     0  0
M  ENDM  END

$$$$
D02RWL
  -OEChem-10101305022D

 27 28  0     0  0  0  0  0  0999 V2000
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  1 15  2  0  0  0  0
  2  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
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  4 10  2  0  0  0  0
  4 11  1  0  0  0  0
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  5 16  1  0  0  0  0
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 10 12  1  0  0  0  0
 10 22  1  0  0  0  0
 11 13  2  0  0  0  0
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 13 14  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
M  END

$$$$
D02RXA
  -OEChem-10101305022D

121124  0     1  0  0  0  0  0999 V2000
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 61116  1  0  0  0  0
M  END

$$$$
D02RYR
  -OEChem-10101305022D

 36 35  0     0  0  0  0  0  0999 V2000
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 14 32  1  0  0  0  0
 15 33  1  0  0  0  0
 15 34  1  0  0  0  0
M  END

$$$$
D02RYZ
  -OEChem-10101305032D

110117  0     1  0  0  0  0  0999 V2000
   10.9531   -1.9359    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END

$$$$
D02RZC
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 13 14  1  0     0  0
 57 58  2  0     0  0
 57  1  1  0     0  0
 26 28  2  0     0  0
 13 59  1  0     0  0
  1  2  2  0     0  0
 14 60  2  0     0  0
 27 29  1  0     0  0
M  END

$$$$
D02RZH
  -OEChem-10101305032D

 27 28  0     0  0  0  0  0  0999 V2000
    6.3301   -3.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    3.5000    0.0000 F   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    0.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.5000    0.0000 N   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    1.5000    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
    3.7320   -1.5000    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
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    2.8660   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    0.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951   -1.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -1.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    5.4641    4.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 14  1  0  0  0  0
  2 16  1  0  0  0  0
  3  8  2  0  0  0  0
  4  7  1  0  0  0  0
  4  8  1  0  0  0  0
  4 20  1  0  0  0  0
  5 19  3  0  0  0  0
  6  8  1  0  0  0  0
  6  9  1  0  0  0  0
  6 10  2  0  0  0  0
  7 11  2  0  0  0  0
  7 12  1  0  0  0  0
  9 13  2  0  0  0  0
  9 21  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  1  0  0  0  0
 13 19  1  0  0  0  0
 14 15  2  0  0  0  0
 15 25  1  0  0  0  0
 16 18  2  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

$$$$
D02SAD
  -OEChem-10101305022D

 40 41  0     0  0  0  0  0  0999 V2000
    2.8660   -2.8100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5263    2.1900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942    2.1900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282   -1.3100    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
    9.7942   -0.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -1.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282   -2.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603   -1.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.3100    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
    9.7942   -2.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603   -2.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942    0.1900    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
    5.4641   -2.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.3100    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
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   10.6603    0.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603    1.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4607   -0.3351    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    8.3913   -2.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1972   -1.0000    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
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   11.1972   -2.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2573    0.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.1900    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
    3.1951   -1.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -3.4300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1972    0.3800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   -1.7731    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    1.6900   -2.8469    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5263    2.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 17  1  0  0  0  0
  1 22  1  0  0  0  0
  2 21  1  0  0  0  0
  2 40  1  0  0  0  0
  3 21  2  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  7  1  0  0  0  0
  5 23  1  0  0  0  0
  5 24  1  0  0  0  0
  6  9  2  0  0  0  0
  6 14  1  0  0  0  0
  7 11  2  0  0  0  0
  7 25  1  0  0  0  0
  8 12  1  0  0  0  0
  8 26  1  0  0  0  0
  9 13  1  0  0  0  0
  9 27  1  0  0  0  0
 10 11  1  0  0  0  0
 10 15  2  0  0  0  0
 10 16  1  0  0  0  0
 11 28  1  0  0  0  0
 12 13  2  0  0  0  0
 12 29  1  0  0  0  0
 13 30  1  0  0  0  0
 14 20  2  0  0  0  0
 14 31  1  0  0  0  0
 15 18  1  0  0  0  0
 15 32  1  0  0  0  0
 16 19  2  0  0  0  0
 16 33  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 18 34  1  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
 22 37  1  0  0  0  0
 22 38  1  0  0  0  0
 22 39  1  0  0  0  0
M  END

$$$$
D02SAE
  -OEChem-04152122282D

 65 68  0     1  0  0  0  0  0999 V2000
    3.6624    1.7034    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9204   -1.9475    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7340   -4.0041    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6097    0.6757    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2084    1.6938    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1920    1.3802    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7743    2.0847    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3730    3.1027    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.7029   -1.2121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.3621    2.8937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8600   -3.9853    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    1.7081    0.6351    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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 17  1  1  6  0  0  0
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 19  3  1  6  0  0  0
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 10 11  1  0  0  0  0
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 10 33  1  6  0  0  0
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 12 35  1  1  0  0  0
 13 16  2  0  0  0  0
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 14 36  1  0  0  0  0
 14 37  1  0  0  0  0
 16 21  1  0  0  0  0
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 17 38  1  0  0  0  0
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 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
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 22 44  1  0  0  0  0
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 22 46  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
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 25 26  1  0  0  0  0
 25 27  1  0  0  0  0
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 26 28  1  0  0  0  0
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 27 29  1  0  0  0  0
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 28 30  1  0  0  0  0
 28 57  1  0  0  0  0
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 29 30  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
 30 62  1  0  0  0  0
 31 63  1  0  0  0  0
 31 64  1  0  0  0  0
 31 65  1  0  0  0  0
M  END

$$$$
D02SAF
  -OEChem-10101305022D

 34 35  0     0  0  0  0  0  0999 V2000
    2.8660   -0.3100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -2.3100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.5981    2.6900    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.1900    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
    3.7320    2.1900    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
    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
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  1 10  1  0  0  0  0
  1 15  1  0  0  0  0
  2 12  1  0  0  0  0
  2 16  1  0  0  0  0
  3  5  1  0  0  0  0
  3  6  1  0  0  0  0
  3  9  1  0  0  0  0
  4  7  1  0  0  0  0
  4  8  1  0  0  0  0
  4 25  1  0  0  0  0
  5  7  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 17  1  0  0  0  0
  6 18  1  0  0  0  0
  7 23  1  0  0  0  0
  7 24  1  0  0  0  0
  8 21  1  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
 10 13  1  0  0  0  0
 11 12  2  0  0  0  0
 11 26  1  0  0  0  0
 12 14  1  0  0  0  0
 13 14  2  0  0  0  0
 13 27  1  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 32  1  0  0  0  0
 16 33  1  0  0  0  0
 16 34  1  0  0  0  0
M  END

$$$$
D02SAK
          02100900062D 1   1.00000     0.00000     0

 31 33  0     0  0            999 V2000
   -0.5517   -2.1069    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.2655   -2.5172    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.5552   -1.2759    0.0000 C   0  0  0  0  0  0           0  0  0
    0.1690   -2.5241    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.9828   -2.1069    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.2690   -3.3448    0.0000 O   0  0  0  0  0  0           0  0  0
   -1.2690   -0.8655    0.0000 C   0  0  0  0  0  0           0  0  0
    0.8828   -2.1172    0.0000 N   0  0  0  0  0  0           0  0  0
    0.1655   -3.3552    0.0000 O   0  0  0  0  0  0           0  0  0
   -1.9793   -1.2793    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.5586   -3.7552    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.2690   -0.0414    0.0000 C   0  0  0  0  0  0           0  0  0
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   -0.5552    1.2034    0.0000 C   0  0  1  0  0  0           0  0  0
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   -1.2690    1.6138    0.0000 C   0  0  0  0  0  0           0  0  0
    0.1621    1.6172    0.0000 C   0  0  0  0  0  0           0  0  0
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    3.0207   -0.8724    0.0000 N   0  0  0  0  0  0           0  0  0
   -1.2690    2.4448    0.0000 C   0  0  0  0  0  0           0  0  0
    0.1621    2.4448    0.0000 C   0  0  0  0  0  0           0  0  0
    3.0207   -0.0414    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.5552    2.8552    0.0000 C   0  0  1  0  0  0           0  0  0
   -0.5552    3.6793    0.0000 O   0  0  0  0  0  0           0  0  0
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    0.1552    4.9207    0.0000 O   0  0  0  0  0  0           0  0  0
    0.8724    3.6828    0.0000 O   0  5  0  0  0  0           0  0  0
  1  2  2  0     0  0
  1  3  1  0     0  0
  1  4  1  0     0  0
  2  5  1  0     0  0
  2  6  1  0     0  0
  3  7  2  0     0  0
  4  8  1  0     0  0
  4  9  2  0     0  0
  5 10  2  0     0  0
  6 11  1  0     0  0
  7 12  1  0     0  0
  8 13  1  0     0  0
 12 14  1  0     0  0
 12 15  2  0     0  0
 13 16  1  0     0  0
 17 14  1  1     0  0
 16 18  1  0     0  0
 16 19  2  0     0  0
 17 20  1  0     0  0
 17 21  1  0     0  0
 18 22  2  0     0  0
 19 23  1  0     0  0
 20 24  1  0     0  0
 21 25  1  0     0  0
 22 26  1  0     0  0
 24 27  1  0     0  0
 27 28  1  6     0  0
 28 29  1  0     0  0
 29 30  2  0     0  0
 29 31  1  0     0  0
  7 10  1  0     0  0
 23 26  2  0     0  0
 25 27  1  0     0  0
M  CHG  2  29   1  31  -1
M  END

$$$$
D02SBM
  -OEChem-10101305032D

 45 48  0     0  0  0  0  0  0999 V2000
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    3.4030   -2.0287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.3304    2.4617    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  1  3  2  0  0  0  0
  1 16  1  0  0  0  0
  1 19  1  0  0  0  0
  4  8  1  0  0  0  0
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  9 26  1  0  0  0  0
  9 27  1  0  0  0  0
 10 32  1  0  0  0  0
 10 33  1  0  0  0  0
 11 30  1  0  0  0  0
 11 31  1  0  0  0  0
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 13 15  1  0  0  0  0
 13 16  2  0  0  0  0
 13 18  1  0  0  0  0
 14 15  1  0  0  0  0
 14 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 20  2  0  0  0  0
 19 21  1  0  0  0  0
 20 23  1  0  0  0  0
 20 39  1  0  0  0  0
 21 24  2  0  0  0  0
 21 40  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 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

$$$$
D02SDM
  -OEChem-10191522202D

 53 56  0     1  0  0  0  0  0999 V2000
    2.0000    4.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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  7 30  1  0  0  0  0
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  9 33  1  0  0  0  0
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 13 14  1  0  0  0  0
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 15 16  1  0  0  0  0
 15 42  1  0  0  0  0
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 16 18  1  0  0  0  0
 16 19  1  0  0  0  0
 16 44  1  0  0  0  0
 18 20  2  0  0  0  0
 18 22  1  0  0  0  0
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 20 24  1  0  0  0  0
 20 46  1  0  0  0  0
 21 25  1  0  0  0  0
 21 47  1  0  0  0  0
 22 26  2  0  0  0  0
 22 48  1  0  0  0  0
 23 27  2  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 29  2  0  0  0  0
 25 51  1  0  0  0  0
 26 28  1  0  0  0  0
 26 52  1  0  0  0  0
 27 29  1  0  0  0  0
 27 53  1  0  0  0  0
M  END

$$$$
D02SDT
  -OEChem-10101305022D

 49 48  0     0  0  0  0  0  0999 V2000
   12.3923   -0.1830    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   15.8564    0.8170    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   15.4904   -0.5490    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   14.4904    1.1830    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   11.8923    0.6830    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8923   -1.0490    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.1244   -1.1830    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -0.6830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282   -0.1830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -0.1830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942   -0.6830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.6603   -0.1830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.5263   -0.6830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.6830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.1830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2583    0.3170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.6830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.1830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1244   -0.1830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9904    0.3170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6636   -1.1580    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    9.3267    0.2919    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   10.1928   -1.1580    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   11.0588    0.2919    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2617    0.2919    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8626    0.2919    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   11.1278   -1.1580    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9248   -1.1580    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   13.6569    0.7919    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.8598    0.7919    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    1.6900   -0.7199    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 15  1  0  0  0  0
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  2 22  1  0  0  0  0
  3 22  1  0  0  0  0
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  8  9  1  0  0  0  0
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 10 12  1  0  0  0  0
 10 27  1  0  0  0  0
 10 28  1  0  0  0  0
 11 13  1  0  0  0  0
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 11 30  1  0  0  0  0
 12 14  1  0  0  0  0
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 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 17  1  0  0  0  0
 16 39  1  0  0  0  0
 16 40  1  0  0  0  0
 17 19  1  0  0  0  0
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 18 21  1  0  0  0  0
 18 43  1  0  0  0  0
 18 44  1  0  0  0  0
 19 20  1  0  0  0  0
 19 45  1  0  0  0  0
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 20 47  1  0  0  0  0
 20 48  1  0  0  0  0
 20 49  1  0  0  0  0
 21 22  1  0  0  0  0
M  END

$$$$
D02SDX
  -OEChem-10101305022D

 39 40  0     0  0  0  0  0  0999 V2000
    2.8660    2.0000    0.0000 N   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
    3.7320    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  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    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  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
    5.4641   -1.5000    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
    2.8660    3.0000    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
    3.7320   -2.5000    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   -2.5000    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
    4.5981   -3.0000    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
    4.5981    0.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.3426    1.3923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    6.3301   -0.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.5981   -3.6200    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
  1 12  1  0  0  0  0
  2  3  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  2 19  1  0  0  0  0
  3  4  1  0  0  0  0
  3 20  1  0  0  0  0
  3 21  1  0  0  0  0
  4 22  1  0  0  0  0
  4 23  1  0  0  0  0
  5  7  2  0  0  0  0
  5  9  1  0  0  0  0
  6  8  2  0  0  0  0
  6 10  1  0  0  0  0
  7 13  1  0  0  0  0
  7 25  1  0  0  0  0
  8 14  1  0  0  0  0
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  9 15  2  0  0  0  0
  9 27  1  0  0  0  0
 10 16  2  0  0  0  0
 10 26  1  0  0  0  0
 11 28  1  0  0  0  0
 11 32  1  0  0  0  0
 11 33  1  0  0  0  0
 12 29  1  0  0  0  0
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 13 17  2  0  0  0  0
 13 35  1  0  0  0  0
 14 18  2  0  0  0  0
 14 34  1  0  0  0  0
 15 17  1  0  0  0  0
 15 37  1  0  0  0  0
 16 18  1  0  0  0  0
 16 36  1  0  0  0  0
 17 39  1  0  0  0  0
 18 38  1  0  0  0  0
M  END

$$$$
D02SFJ
  -OEChem-10101305022D

 42 45  0     0  0  0  0  0  0999 V2000
    4.6660    2.0173    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    4.6660   -0.9827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.8000   -1.4827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321   -2.4827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000   -2.4827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660   -2.9827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.4260   -0.9480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.4260   -3.0173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9061   -3.0173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3321   -1.4619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.4619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.5880    2.0999    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1  6  1  0  0  0  0
  1  7  1  0  0  0  0
  1 13  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  2  0  0  0  0
  3  7  1  0  0  0  0
  3 24  1  0  0  0  0
  3 25  1  0  0  0  0
  4  6  1  0  0  0  0
  4 22  1  0  0  0  0
  4 23  1  0  0  0  0
  5  8  1  0  0  0  0
  5  9  1  0  0  0  0
  6 26  1  0  0  0  0
  6 27  1  0  0  0  0
  7 28  1  0  0  0  0
  7 29  1  0  0  0  0
  8 10  1  0  0  0  0
  8 14  2  0  0  0  0
  9 11  1  0  0  0  0
  9 15  2  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 17  2  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
 13 34  1  0  0  0  0
 14 18  1  0  0  0  0
 14 36  1  0  0  0  0
 15 19  1  0  0  0  0
 15 35  1  0  0  0  0
 16 20  1  0  0  0  0
 16 38  1  0  0  0  0
 17 21  1  0  0  0  0
 17 37  1  0  0  0  0
 18 20  2  0  0  0  0
 18 40  1  0  0  0  0
 19 21  2  0  0  0  0
 19 39  1  0  0  0  0
 20 42  1  0  0  0  0
 21 41  1  0  0  0  0
M  END

$$$$
D02SGH
  -OEChem-10101305032D

 40 42  0     0  0  0  0  0  0999 V2000
   10.3327   -1.0612    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 13 15  2  0  0  0  0
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 19 37  1  0  0  0  0
 21 38  1  0  0  0  0
 21 39  1  0  0  0  0
 21 40  1  0  0  0  0
M  END

$$$$
D02SGJ
  -OEChem-10101305022D

 48 51  0     0  0  0  0  0  0999 V2000
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 20 35  1  0  0  0  0
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 22 36  1  0  0  0  0
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 25 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
 26 48  1  0  0  0  0
M  CHG  1   5   1
M  END

$$$$
D02SGT
  MDL     03130712332D 1   1.00000     0.00000     0

 72 71  0     0  0            999 V2000
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 28 29  1  0     0  0
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 29 30  1  0     0  0
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 59 60  1  0     0  0
 30 31  1  0     0  0
 60 61  1  0     0  0
  8  9  1  0     0  0
 61 62  1  0     0  0
 31 32  1  0     0  0
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 15 17  1  0     0  0
 52 64  1  1     0  0
 32 33  1  0     0  0
 38 65  1  0     0  0
 67 66  1  0     0  0
 68 67  1  0     0  0
  4  5  1  0     0  0
 33 34  1  0     0  0
 17 18  1  0     0  0
 34 35  1  0     0  0
 67 69  1  0     0  0
  8 10  2  0     0  0
 67 70  2  0     0  0
 35 36  1  0     0  0
 69 71  1  0     0  0
 18 19  1  0     0  0
 71 72  1  0     0  0
 72 65  1  0     0  0
 65  9  1  0     0  0
M  END

$$$$
D02SIT
  -OEChem-10101305032D

 40 44  0     0  0  0  0  0  0999 V2000
    5.2467    0.5907    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0063    2.0193    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    3.9396    0.7050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7029   -0.4595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.3424   -2.4276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  3  1  0  0  0  0
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  1 16  1  0  0  0  0
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  4 10  2  0  0  0  0
  5  6  1  0  0  0  0
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  6 11  2  0  0  0  0
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  9 26  1  0  0  0  0
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 22 24  2  0  0  0  0
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 23 24  1  0  0  0  0
 23 39  1  0  0  0  0
 24 40  1  0  0  0  0
M  END

$$$$
D02SJN
  -OEChem-04152122282D

 39 40  0     1  0  0  0  0  0999 V2000
    8.0622   -0.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    8.9282    4.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 12  9  1  6  0  0  0
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 21 36  1  0  0  0  0
 22 23  1  0  0  0  0
 22 37  1  0  0  0  0
 23 24  1  0  0  0  0
M  END

$$$$
D02SKN
  -OEChem-10191522262D

 48 50  0     0  0  0  0  0  0999 V2000
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  1  7  1  0  0  0  0
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 25 45  1  0  0  0  0
 26 46  1  0  0  0  0
 26 47  1  0  0  0  0
 26 48  1  0  0  0  0
M  END

$$$$
D02SMG
  -OEChem-10101305022D

 31 33  0     0  0  0  0  0  0999 V2000
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 16 29  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

$$$$
D02SMK
  -OEChem-10191521472D

 51 55  0     0  0  0  0  0  0999 V2000
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 31 33  2  0  0  0  0
 31 50  1  0  0  0  0
 32 33  1  0  0  0  0
 32 51  1  0  0  0  0
M  END

$$$$
D02SNO
  -OEChem-10101305022D

 44 46  0     1  0  0  0  0  0999 V2000
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 21 44  1  0  0  0  0
M  END

$$$$
D02SNU
  -OEChem-10191522292D

 29 29  0     0  0  0  0  0  0999 V2000
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    3.7320   -3.5250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -2.7150    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  7  2  0  0  0  0
  1 11  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  2  8  2  0  0  0  0
  2 11  1  0  0  0  0
  3 20  1  0  0  0  0
  4 21  1  0  0  0  0
  5 23  1  0  0  0  0
  6 22  1  0  0  0  0
  9 11  1  0  0  0  0
  9 12  1  0  0  0  0
  9 19  1  0  0  0  0
 10 12  1  0  0  0  0
 10 17  2  0  0  0  0
 11 18  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 14 16  2  0  0  0  0
 14 24  1  0  0  0  0
 15 25  1  0  0  0  0
 15 26  1  0  0  0  0
 15 27  1  0  0  0  0
 16 17  1  0  0  0  0
 16 28  1  0  0  0  0
 17 29  1  0  0  0  0
M  END

$$$$
D02SOL
          04221101252D 1   1.00000     0.00000     0

 30 33  0     1  0            999 V2000
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   -1.2046   -2.4364    0.0000 C   0  0  1  0  0  0           0  0  0
   -0.3856   -2.5611    0.0000 C   0  0  0  0  0  0           0  0  0
    0.1305   -1.9186    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.1690   -1.1457    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.9912   -1.0241    0.0000 C   0  0  0  0  0  0           0  0  0
   -4.1916   -1.2350    0.0000 C   0  0  0  0  0  0           0  0  0
   -4.1987   -2.0455    0.0000 C   0  0  0  0  0  0           0  0  0
   -3.4852   -2.4667    0.0000 C   0  0  0  0  0  0           0  0  0
   -3.4731   -0.8302    0.0000 C   0  0  0  0  0  0           0  0  0
   -2.7665   -1.2467    0.0000 C   0  0  0  0  0  0           0  0  0
   -2.7722   -2.0607    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.9858   -2.3208    0.0000 O   0  0  0  0  0  0           0  0  0
   -1.9937   -0.9963    0.0000 C   0  0  0  0  0  0           0  0  0
    0.9464   -2.0414    0.0000 O   0  0  0  0  0  0           0  0  0
   -1.7524   -0.2040    0.0000 O   0  0  0  0  0  0           0  0  0
   -3.4975   -3.2996    0.0000 Cl  0  0  0  0  0  0           0  0  0
   -4.9272   -2.4393    0.0000 O   0  0  0  0  0  0           0  0  0
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   -3.4620    0.0027    0.0000 O   0  0  0  0  0  0           0  0  0
   -2.7420    0.4048    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.7302   -3.0851    0.0000 C   0  0  0  0  0  0           0  0  0
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    0.0303    0.2872    0.0000 C   0  0  0  0  0  0           0  0  0
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    1.3588    0.8140    0.0000 C   0  0  0  0  0  0           0  0  0
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    0.3337   -0.4797    0.0000 C   0  0  0  0  0  0           0  0  0
  7  8  2  0     0  0
 14 16  2  0     0  0
  9 17  1  0     0  0
  8  9  1  0     0  0
  8 18  1  0     0  0
  9 12  2  0     0  0
 18 19  1  0     0  0
  4  5  1  0     0  0
 10 20  1  0     0  0
 11 10  2  0     0  0
 20 21  1  0     0  0
 10  7  1  0     0  0
  2 22  1  1     0  0
 11 12  1  0     0  0
  6 23  1  0     0  0
  2  3  1  0     0  0
 23 24  1  0     0  0
  5  6  2  0     0  0
  6  1  1  0     0  0
  1  2  1  0     0  0
 12 13  1  0     0  0
 24 25  1  0     0  0
  1 13  1  0     0  0
 25 26  2  0     0  0
  1 14  1  1     0  0
 26 27  1  0     0  0
 14 11  1  0     0  0
 27 28  2  0     0  0
  3  4  1  0     0  0
 28 29  1  0     0  0
  4 15  2  0     0  0
 29 30  2  0     0  0
 30 25  1  0     0  0
M  END

$$$$
D02SQF
  -OEChem-10191521332D

 20 20  0     0  0  0  0  0  0999 V2000
    2.8090   -2.0084    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3090   -0.4696    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0778    2.0620    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8968    0.3394    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3090   -0.4696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6180   -1.4206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4901    1.2530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5691   -1.7296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.4206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3275   -0.1065    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4108    0.6861    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0594    1.6990    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9761    0.9063    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8090   -2.6284    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3775   -2.3193    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.6944    1.9972    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  9  1  0  0  0  0
  1 14  1  0  0  0  0
  2  5  1  0  0  0  0
  2  9  2  0  0  0  0
  3  7  1  0  0  0  0
  3 19  1  0  0  0  0
  3 20  1  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  4 10  1  0  0  0  0
  4 11  1  0  0  0  0
  5  6  2  0  0  0  0
  6  8  1  0  0  0  0
  7 12  1  0  0  0  0
  7 13  1  0  0  0  0
  8 15  1  0  0  0  0
  8 16  1  0  0  0  0
  8 17  1  0  0  0  0
  9 18  1  0  0  0  0
M  END

$$$$
D02SRA
  -OEChem-10101305022D

143146  0     1  0  0  0  0  0999 V2000
    9.4651   -2.3100    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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   11.1972   -5.3100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    1.1900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3312    2.1900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   12.0632   -4.8100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END

$$$$
D02SRL
  -OEChem-10101305022D

 19 20  0     0  0  0  0  0  0999 V2000
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  1  8  1  0  0  0  0
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 10 12  1  0  0  0  0
 10 18  1  0  0  0  0
 12 19  1  0  0  0  0
M  END

$$$$
D02SSD
  -OEChem-10101305022D

 34 36  0     0  0  0  0  0  0999 V2000
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 19 33  1  0  0  0  0
 19 34  1  0  0  0  0
M  END

$$$$
D02SSG
  -OEChem-10101305022D

 80 84  0     1  0  0  0  0  0999 V2000
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 38 79  1  0  0  0  0
 39 80  1  0  0  0  0
M  END

$$$$
D02SWF
  -OEChem-10101305022D

 23 23  0     1  0  0  0  0  0999 V2000
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  5  1  1  1  0  0  0
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  9 22  1  0  0  0  0
 10 23  1  0  0  0  0
M  END

$$$$
D02SZF
          10300900382D 1   1.00000     0.00000     0

 70 73  0     1  0            999 V2000
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 15  8  1  0     0  0
 52 60  1  0     0  0
 13 16  1  0     0  0
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 61  9  1  0     0  0
 16 17  1  0     0  0
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 17 18  1  0     0  0
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 18  8  1  0     0  0
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 64  2  1  0     0  0
 18 19  1  6     0  0
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 17 20  1  1     0  0
 67 68  1  0     0  0
 10 11  1  0     0  0
 68 69  1  0     0  0
 13 70  1  6     0  0
M  ISO  1  69  18
M  END

$$$$
D02TCF
  -OEChem-10101305022D

157162  0     1  0  0  0  0  0999 V2000
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 65141  1  0  0  0  0
 66 68  1  0  0  0  0
 66142  1  0  0  0  0
 66143  1  0  0  0  0
 67 70  1  0  0  0  0
 67144  1  0  0  0  0
 68 71  1  0  0  0  0
 68 72  1  6  0  0  0
 68146  1  0  0  0  0
 69147  1  0  0  0  0
 69148  1  0  0  0  0
 69149  1  0  0  0  0
 70 71  2  0  0  0  0
 70150  1  0  0  0  0
 71151  1  0  0  0  0
 72152  1  0  0  0  0
 72153  1  0  0  0  0
 72154  1  0  0  0  0
 73155  1  0  0  0  0
 73156  1  0  0  0  0
 73157  1  0  0  0  0
M  END

$$$$
D02TCZ
  -OEChem-10101305022D

 36 39  0     0  0  0  0  0  0999 V2000
    2.0038    1.7635    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.5138   -2.3019    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.7568    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3961   -0.7673    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5022    0.7673    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8641    0.2602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7359    1.7568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5961    0.2535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.7635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8718    2.2601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3961    0.2327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2622    0.7327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5961   -0.7881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5022   -1.3020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1282    0.2327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2622   -1.2673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1282   -0.7673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2461    1.7742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0382    0.7395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1441    2.3019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0462    1.7811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4637   -0.2132    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2608   -0.2163    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3460    1.6468    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9502    2.3386    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3898    0.8735    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7857    0.1817    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2722    2.7336    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4751    2.7366    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0604   -1.1002    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2622   -1.8873    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6651   -1.0773    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7056    2.0779    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5715    0.4233    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1418    2.9219    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5844    2.0890    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 14  2  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 11  1  0  0  0  0
  4 14  1  0  0  0  0
  4 16  1  0  0  0  0
  5  8  1  0  0  0  0
  5 11  2  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 10  1  0  0  0  0
  7 24  1  0  0  0  0
  7 25  1  0  0  0  0
  8 13  2  0  0  0  0
  9 26  1  0  0  0  0
  9 27  1  0  0  0  0
 10 28  1  0  0  0  0
 10 29  1  0  0  0  0
 11 12  1  0  0  0  0
 12 15  1  0  0  0  0
 12 18  2  0  0  0  0
 13 14  1  0  0  0  0
 13 30  1  0  0  0  0
 15 17  1  0  0  0  0
 15 19  2  0  0  0  0
 16 17  2  0  0  0  0
 16 31  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 21  1  0  0  0  0
 19 34  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
M  END

$$$$
D02TEW
  -OEChem-10101305022D

 35 38  0     0  0  0  0  0  0999 V2000
    6.0000   -0.1296    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.5836   -0.9344    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.2619   -0.6296    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.3958   -2.1296    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.5298    0.3704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3958    0.8704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5298   -0.6296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5836    0.6751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2619    0.3704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000   -0.1296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3958   -1.1296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3798    1.9119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1719    0.8772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5000    0.7364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5000   -0.9957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2778    2.4396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -0.1296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1799    1.9188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000    0.7364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000   -0.9957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.1296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3910    1.2644    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8393    2.2156    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7052    0.5610    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8100    1.2733    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8100   -1.5326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2754    3.0596    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7180    2.2267    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1900    1.2733    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1900   -1.5326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9328   -2.4396    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8589   -2.4396    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.4904    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3800   -0.1296    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.7496    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  8  1  0  0  0  0
  1 10  1  0  0  0  0
  2  7  2  0  0  0  0
  3  9  1  0  0  0  0
  3 11  2  0  0  0  0
  4 11  1  0  0  0  0
  4 31  1  0  0  0  0
  4 32  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5  8  2  0  0  0  0
  6  9  1  0  0  0  0
  6 12  2  0  0  0  0
  7 11  1  0  0  0  0
  8 22  1  0  0  0  0
  9 13  2  0  0  0  0
 10 14  2  0  0  0  0
 10 15  1  0  0  0  0
 12 16  1  0  0  0  0
 12 23  1  0  0  0  0
 13 18  1  0  0  0  0
 13 24  1  0  0  0  0
 14 19  1  0  0  0  0
 14 25  1  0  0  0  0
 15 20  2  0  0  0  0
 15 26  1  0  0  0  0
 16 18  2  0  0  0  0
 16 27  1  0  0  0  0
 17 19  2  0  0  0  0
 17 20  1  0  0  0  0
 17 21  1  0  0  0  0
 18 28  1  0  0  0  0
 19 29  1  0  0  0  0
 20 30  1  0  0  0  0
 21 33  1  0  0  0  0
 21 34  1  0  0  0  0
 21 35  1  0  0  0  0
M  END

$$$$
D02TFD
  -OEChem-10101305022D

 35 37  0     0  0  0  0  0  0999 V2000
    3.7320    1.2329    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2622    1.2571    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.2329    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.7671    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.2671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.7329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.7671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981    0.7537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4920   -0.8017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4920    1.2676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981   -0.2879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.2671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.7671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1301    0.7604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9942    1.2638    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.7329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8622    0.7671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9904    2.2637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7263    1.2704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8544    2.7671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7224    2.2704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.2671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4848   -1.4217    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4848    1.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9338   -0.6000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -0.5771    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9441   -2.3497    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3426   -1.6594    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7334    0.2839    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5305    0.2870    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8646    0.1471    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4522    2.5717    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2644    0.9625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8521    3.3871    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2581    2.5825    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1 16  1  0  0  0  0
  2  8  1  0  0  0  0
  2 14  1  0  0  0  0
  3 16  2  0  0  0  0
  4 22  3  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  5  9  1  0  0  0  0
  6 10  1  0  0  0  0
  7 12  2  0  0  0  0
  7 13  1  0  0  0  0
  8 10  2  0  0  0  0
  8 11  1  0  0  0  0
  9 11  2  0  0  0  0
  9 23  1  0  0  0  0
 10 24  1  0  0  0  0
 11 25  1  0  0  0  0
 12 16  1  0  0  0  0
 12 26  1  0  0  0  0
 13 22  1  0  0  0  0
 13 27  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
 14 30  1  0  0  0  0
 15 17  2  0  0  0  0
 15 18  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
 19 21  2  0  0  0  0
 19 33  1  0  0  0  0
 20 21  1  0  0  0  0
 20 34  1  0  0  0  0
 21 35  1  0  0  0  0
M  END

$$$$
D02TIO
  -OEChem-10101305032D

 78 81  0     1  0  0  0  0  0999 V2000
   10.3420   -0.6664    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3118    2.8432    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0170    3.7987    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4622    4.1783    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1173    4.6888    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4217    1.9791    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6914    0.8010    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0248   -0.4768    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.9264    1.1545    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.3619    3.2882    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9013    0.9320    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.5248    1.7138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5248    1.7138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1483    0.9320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9258   -0.0429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1238   -0.0429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0248   -1.4768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6567    2.3326    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.6316    2.1101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8908   -1.9768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9765    1.5996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0016    1.8221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8908   -2.9768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7568   -1.4768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7568   -3.4768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6229   -1.9768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7068    2.7777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6229   -2.9768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3214    1.0890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0421    4.0212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7319    3.0002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0517    2.2671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3465    1.3116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4889   -3.4768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0768    2.4896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7474    4.9768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4372    3.9558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4889   -4.4768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3549   -2.9768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.3539   -3.2868    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.7568   -0.8568    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1285    3.2322    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.7568   -4.0968    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.1598   -1.6668    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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 11  9  1  1  0  0  0
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 18 10  1  6  0  0  0
 10 30  1  0  0  0  0
 10 59  1  0  0  0  0
 11 12  1  0  0  0  0
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 11 44  1  0  0  0  0
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 13 14  1  0  0  0  0
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 15 51  1  0  0  0  0
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 17 20  1  0  0  0  0
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 18 21  1  0  0  0  0
 18 56  1  0  0  0  0
 20 23  2  0  0  0  0
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 21 57  1  0  0  0  0
 21 58  1  0  0  0  0
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 23 25  1  0  0  0  0
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 25 28  2  0  0  0  0
 25 63  1  0  0  0  0
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 26 64  1  0  0  0  0
 27 31  1  0  0  0  0
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 28 34  1  0  0  0  0
 29 33  2  0  0  0  0
 29 65  1  0  0  0  0
 30 36  1  0  0  0  0
 31 32  2  0  0  0  0
 31 37  1  0  0  0  0
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 32 35  1  0  0  0  0
 33 66  1  0  0  0  0
 34 38  2  0  0  0  0
 34 39  1  0  0  0  0
 35 40  1  0  0  0  0
 35 67  1  0  0  0  0
 35 68  1  0  0  0  0
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 36 70  1  0  0  0  0
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 38 72  1  0  0  0  0
 39 42  2  0  0  0  0
 39 73  1  0  0  0  0
 41 43  2  0  0  0  0
 41 74  1  0  0  0  0
 42 43  1  0  0  0  0
 42 75  1  0  0  0  0
 43 76  1  0  0  0  0
M  END

$$$$
D02TIT
  -OEChem-10191521502D

 62 64  0     1  0  0  0  0  0999 V2000
    2.0000    0.8512    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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    4.5981   -0.6488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.1488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.3512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8660   -0.6488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8660    0.3512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3176   -2.7639    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7824   -0.5002    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2742    1.7686    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6728    2.4589    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6592    1.5412    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    3.9712    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7932    0.6612    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8067    0.7436    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3488   -2.1397    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2223   -2.2161    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
 17  2  1  1  0  0  0
  2 51  1  0  0  0  0
 18  3  1  1  0  0  0
  3 52  1  0  0  0  0
  4 30  1  0  0  0  0
  5 30  2  0  0  0  0
  6 14  2  0  0  0  0
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  8 31  1  0  0  0  0
  9 11  1  0  0  0  0
  9 29  1  0  0  0  0
  9 35  1  0  0  0  0
 10 12  1  0  0  0  0
 10 29  2  0  0  0  0
 11 12  2  0  0  0  0
 13 14  1  0  0  0  0
 13 22  1  0  0  0  0
 13 23  1  0  0  0  0
 13 36  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
 15 18  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 20  1  0  0  0  0
 17 21  1  0  0  0  0
 17 39  1  0  0  0  0
 18 24  1  0  0  0  0
 18 40  1  0  0  0  0
 19 26  1  0  0  0  0
 20 21  2  0  0  0  0
 20 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 48  1  0  0  0  0
 23 45  1  0  0  0  0
 23 46  1  0  0  0  0
 23 47  1  0  0  0  0
 24 30  1  0  0  0  0
 24 49  1  0  0  0  0
 24 50  1  0  0  0  0
 26 27  2  0  0  0  0
 26 28  1  0  0  0  0
 27 32  1  0  0  0  0
 27 53  1  0  0  0  0
 28 33  2  0  0  0  0
 28 54  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 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
 35 60  1  0  0  0  0
 35 61  1  0  0  0  0
 35 62  1  0  0  0  0
M  CHG  1   4  -1
M  END

$$$$
D02TJY
  -OEChem-04152108422D

  9  9  0     0  0  0  0  0  0999 V2000
    2.0000   -0.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.5000    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
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    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  3  1  0  0  0  0
  1  5  2  0  0  0  0
  2  3  2  0  0  0  0
  2  6  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
  6  9  1  0  0  0  0
M  END

$$$$
D02TKC
  -OEChem-10101305022D

 48 52  0     1  0  0  0  0  0999 V2000
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    2.0000   -1.8708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    8.9537    1.3450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5518    1.8725    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    5.4178    1.3725    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.4178    0.3725    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.3117    1.9072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3117   -0.1622    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.9169    2.7968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2178    1.3933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 27 48  1  0  0  0  0
M  END

$$$$
D02TKT
  -OEChem-04152110282D

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M  END

$$$$
D02TKX
          06091100072D 1   1.00000     0.00000     0

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 21 25  1  0     0  0
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 30 36  1  6     0  0
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 44 45  1  0     0  0
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 44 46  1  0     0  0
 10  9  1  0     0  0
 33 47  1  6     0  0
M  END

$$$$
D02TLP
  -OEChem-10101305022D

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 10 11  1  0  0  0  0
 11 17  1  0  0  0  0
 11 18  1  0  0  0  0
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M  END

$$$$
D02TLZ
  -OEChem-10101305022D

 34 35  0     0  0  0  0  0  0999 V2000
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    1.4631   -4.4650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -4.4650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -5.2750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    1.5350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1541    2.3081    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    2.5350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7741    3.3819    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    4.6550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1 34  1  0  0  0  0
  2 18  2  0  0  0  0
  3 18  1  0  0  0  0
  3 19  1  0  0  0  0
  4  5  1  0  0  0  0
  4  7  2  0  0  0  0
  4  8  1  0  0  0  0
  5 11  2  0  0  0  0
  5 12  1  0  0  0  0
  6  9  2  0  0  0  0
  6 10  1  0  0  0  0
  6 13  1  0  0  0  0
  7  9  1  0  0  0  0
  7 20  1  0  0  0  0
  8 10  2  0  0  0  0
  8 21  1  0  0  0  0
  9 22  1  0  0  0  0
 10 23  1  0  0  0  0
 11 14  1  0  0  0  0
 11 24  1  0  0  0  0
 12 15  2  0  0  0  0
 12 25  1  0  0  0  0
 13 17  2  0  0  0  0
 13 26  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
 15 28  1  0  0  0  0
 16 29  1  0  0  0  0
 17 18  1  0  0  0  0
 17 30  1  0  0  0  0
 19 31  1  0  0  0  0
 19 32  1  0  0  0  0
 19 33  1  0  0  0  0
M  END

$$$$
D02TMK
  -OEChem-10101305022D

 26 27  0     1  0  0  0  0  0999 V2000
    7.8133    0.4947    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8133   -1.1147    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    0.6900    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    0.1900    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.1350    0.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    0.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    0.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -0.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -0.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -0.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -1.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3969   -0.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6675    1.1650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8705    1.1650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    0.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    1.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7830   -0.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -1.4300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0230   -0.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -1.9300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.3800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    1.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8578   -0.7247    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8578    0.1047    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  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  5  1  0  0  0  0
  3 23  1  0  0  0  0
  3 24  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4 14  1  0  0  0  0
  4 15  1  0  0  0  0
  5 11  1  0  0  0  0
  5 16  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 17  1  0  0  0  0
  8 10  2  0  0  0  0
  9 12  2  0  0  0  0
  9 18  1  0  0  0  0
 10 12  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 22  1  0  0  0  0
 13 25  1  0  0  0  0
 13 26  1  0  0  0  0
M  END

$$$$
D02TMR
  -OEChem-10101305022D

 41 42  0     1  0  0  0  0  0999 V2000
    8.9282   -1.1550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.3923   -1.1550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.6550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5263    1.3450    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    0.3450    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.2583    0.3450    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
   10.6603   -0.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5263    0.3450    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.7942    0.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282   -0.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3923   -0.1550    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    0.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -1.1550    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
    5.4641   -1.1550    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
    3.7320   -0.1550    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
    2.8660    0.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2617   -0.6299    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0588   -0.6299    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.0632    0.6550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1928    0.8199    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3957    0.8199    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.0632    1.6550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9893    1.6550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    0.9650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.9650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.7953    0.0350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.2583    0.9650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331   -1.4650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9272    0.1550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.1550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.2750    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
    1.4631   -1.4650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    0.1550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  2  0  0  0  0
  2 12  2  0  0  0  0
  3 17  1  0  0  0  0
  3 18  1  0  0  0  0
  9  4  1  6  0  0  0
  4 29  1  0  0  0  0
  4 30  1  0  0  0  0
  5 11  1  0  0  0  0
  5 13  1  0  0  0  0
  5 31  1  0  0  0  0
  6 12  1  0  0  0  0
  6 33  1  0  0  0  0
  6 34  1  0  0  0  0
  7 15  1  0  0  0  0
  7 17  2  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
  8 25  1  0  0  0  0
  9 12  1  0  0  0  0
  9 26  1  0  0  0  0
 10 11  1  0  0  0  0
 10 27  1  0  0  0  0
 10 28  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
 14 16  2  0  0  0  0
 14 32  1  0  0  0  0
 15 35  1  0  0  0  0
 16 17  1  0  0  0  0
 16 36  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 37  1  0  0  0  0
 20 22  2  0  0  0  0
 20 38  1  0  0  0  0
 21 23  2  0  0  0  0
 21 39  1  0  0  0  0
 22 23  1  0  0  0  0
 22 40  1  0  0  0  0
 23 41  1  0  0  0  0
M  END

$$$$
D02TMX
  -OEChem-10101305032D

 25 25  0     0  0  0  0  0  0999 V2000
    4.2690   -1.1900    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -1.1900    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -1.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -0.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -0.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    0.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331   -1.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    0.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -0.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    1.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6025   -1.6650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3996   -1.6650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2656   -0.2151    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4685   -0.2151    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6720    0.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4231   -1.7269    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2700   -1.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0431   -0.6531    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8890    1.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    2.4300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6490    1.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.8800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -1.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  2  0  0  0  0
  1 10  1  0  0  0  0
  2 10  1  0  0  0  0
  2 24  1  0  0  0  0
  2 25  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3 12  1  0  0  0  0
  3 13  1  0  0  0  0
  4  8  1  0  0  0  0
  4 14  1  0  0  0  0
  4 15  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6 16  1  0  0  0  0
  7  9  1  0  0  0  0
  7 11  1  0  0  0  0
  8 17  1  0  0  0  0
  8 18  1  0  0  0  0
  8 19  1  0  0  0  0
  9 10  2  0  0  0  0
  9 20  1  0  0  0  0
 11 21  1  0  0  0  0
 11 22  1  0  0  0  0
 11 23  1  0  0  0  0
M  END

$$$$
D02TNK
  -OEChem-10101305022D

159166  0     1  0  0  0  0  0999 V2000
    7.1982    9.1782    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    5.1303    8.5023    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   18.8615    1.0382    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   20.3145    2.6574    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    6.1826    4.2630    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    5.8048    2.1204    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   17.0412    9.8146    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   18.1290    7.9305    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.6811    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.3660    8.0471    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.3660    6.3150    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   11.0424    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.3660   12.4084    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.3660   10.6764    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   11.1549   12.9961    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   11.5209   14.3621    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   12.5209   12.6301    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   11.1549   17.3574    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   11.5209   18.7235    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   12.5209   16.9914    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   11.8909    4.4408    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2982    7.6570    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.1461    1.4519    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7002    7.1570    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.2889    3.0840    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5365    4.9137    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.3024    5.0622    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6329    1.6706    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.8198    7.6986    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.7530   17.8574    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.7530   13.4961    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5981   11.5424    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5981    7.1811    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7320    8.6811    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7320   13.0424    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8869   14.9961    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8869   19.3574    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0993    5.4199    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.1999    3.4887    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.8292    8.3240    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.6179    2.1087    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.2701    6.4478    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.6999    2.0132    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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M  END

$$$$
D02TNR
  -OEChem-10101305022D

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    4.5234   -1.6779    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9219   -2.3682    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0781   -2.3682    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4766   -1.6779    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6015   -2.7605    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3985   -2.7605    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6584    0.9678    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1900    0.0435    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5826    1.6585    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8923    2.0571    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5191   -0.2946    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7155    1.8548    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7601    0.7467    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9565    2.8962    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4788    2.3421    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  2  0  0  0  0
  2 13  2  0  0  0  0
  3  6  1  0  0  0  0
  3 13  1  0  0  0  0
  3 32  1  0  0  0  0
  4 12  1  0  0  0  0
  4 15  1  0  0  0  0
  4 33  1  0  0  0  0
  5 18  3  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 22  1  0  0  0  0
  7 23  1  0  0  0  0
  8 10  1  0  0  0  0
  8 24  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 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
 13 14  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 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 20  2  0  0  0  0
 17 37  1  0  0  0  0
 19 21  2  0  0  0  0
 19 38  1  0  0  0  0
 20 21  1  0  0  0  0
 20 39  1  0  0  0  0
 21 40  1  0  0  0  0
M  END

$$$$
D02TOP
  -OEChem-10101305032D

 46 49  0     1  0  0  0  0  0999 V2000
    3.7320   -1.3284    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.2686    3.2369    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6146    2.1450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6183    4.3206    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2208    5.7384    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -6.3284    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.7320   -6.3284    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5443    1.4763    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5443   -0.1332    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.6716    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.1716    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -5.8284    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    6.8066    2.7342    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.8550    2.4268    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.8083    3.7342    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.8578    4.0449    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.5504    4.9964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.1716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1279    0.6716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.1716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.3284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.0025    4.7063    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.6540   -1.2458    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2554   -1.9361    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -3.0184    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -3.0184    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -4.6384    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -4.6384    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 21  1  0  0  0  0
  1 23  1  0  0  0  0
  2 14  1  0  0  0  0
  2 16  1  0  0  0  0
 13  3  1  1  0  0  0
  3 36  1  0  0  0  0
 15  4  1  1  0  0  0
  4 37  1  0  0  0  0
  5 17  1  0  0  0  0
  5 39  1  0  0  0  0
  6 12  1  0  0  0  0
  7 12  2  0  0  0  0
 14  8  1  6  0  0  0
  8 18  1  0  0  0  0
  8 19  1  0  0  0  0
  9 19  2  0  0  0  0
  9 20  1  0  0  0  0
 10 18  1  0  0  0  0
 10 22  2  0  0  0  0
 11 21  2  0  0  0  0
 11 22  1  0  0  0  0
 12 29  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 13 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
 16 17  1  6  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 20  2  0  0  0  0
 19 38  1  0  0  0  0
 20 21  1  0  0  0  0
 22 40  1  0  0  0  0
 23 24  1  0  0  0  0
 23 41  1  0  0  0  0
 23 42  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 43  1  0  0  0  0
 26 28  2  0  0  0  0
 26 44  1  0  0  0  0
 27 29  2  0  0  0  0
 27 45  1  0  0  0  0
 28 29  1  0  0  0  0
 28 46  1  0  0  0  0
M  CHG  2   6  -1  12   1
M  END

$$$$
D02TPK
  -OEChem-10101305022D

262265  0     1  0  0  0  0  0999 V2000
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    9.4651   12.9050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   36.3119   -6.5950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   18.9914    2.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991    8.4050    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.5991    4.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991    7.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.8574    5.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651    8.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    3.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.4651    9.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   20.7235    5.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    8.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7953    1.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   22.4555    5.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.5799   -7.5950    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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   38.0440   -9.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   39.7760   -7.5950    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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131255  1  0  0  0  0
131256  1  0  0  0  0
M  END

$$$$
D02TPO
  -OEChem-10101305022D

 70 75  0     1  0  0  0  0  0999 V2000
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 29 34  2  0  0  0  0
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 35 66  1  0  0  0  0
 37 68  1  0  0  0  0
 37 69  1  0  0  0  0
 37 70  1  0  0  0  0
M  END

$$$$
D02TPY
  -OEChem-10191521422D

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    5.0712    0.3496    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8636    1.4320    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0577    1.4320    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8636    3.0520    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0577    3.0520    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8636    4.4320    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8636    6.0520    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0577    6.0520    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4606    6.8620    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
  1 39  1  0  0  0  0
  2 11  2  0  0  0  0
  2 12  1  0  0  0  0
  3 21  1  0  0  0  0
  3 24  2  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  5 26  1  0  0  0  0
  5 27  1  0  0  0  0
  6 10  1  0  0  0  0
  6 28  1  0  0  0  0
  6 29  1  0  0  0  0
  7 30  1  0  0  0  0
  7 31  1  0  0  0  0
  7 32  1  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 12  2  0  0  0  0
 10 36  1  0  0  0  0
 10 37  1  0  0  0  0
 10 38  1  0  0  0  0
 11 13  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 15  1  0  0  0  0
 14 43  1  0  0  0  0
 14 44  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 16 19  1  0  0  0  0
 16 45  1  0  0  0  0
 17 20  2  0  0  0  0
 17 46  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 18 21  1  0  0  0  0
 19 47  1  0  0  0  0
 20 48  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 22 49  1  0  0  0  0
 23 25  2  0  0  0  0
 23 50  1  0  0  0  0
 24 25  1  0  0  0  0
 24 51  1  0  0  0  0
 25 52  1  0  0  0  0
M  END

$$$$
D02TQA
  -OEChem-10101305022D

 31 32  0     0  0  0  0  0  0999 V2000
    2.8660   -5.1550    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    3.8450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    4.8450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    3.8450    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.1550    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
    2.0000   -0.6550    0.0000 C   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
    3.7320    0.3450    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
    2.0000   -2.6550    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
    2.0000   -3.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.6550    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
    2.8660   -4.1550    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
    3.7320    3.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -0.9650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -0.9650    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
    1.4631    0.6550    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
    4.2690   -2.3450    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -3.9650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -3.9650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291    2.1550    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
    5.1350    3.5350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    5.1550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 17  1  0  0  0  0
  2 19  2  0  0  0  0
  3  4  1  0  0  0  0
  3 31  1  0  0  0  0
  4 19  1  0  0  0  0
  4 30  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  2  0  0  0  0
  5  8  1  0  0  0  0
  6 12  2  0  0  0  0
  6 13  1  0  0  0  0
  7 10  1  0  0  0  0
  7 20  1  0  0  0  0
  8 11  2  0  0  0  0
  8 21  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
  9 16  1  0  0  0  0
 10 22  1  0  0  0  0
 11 23  1  0  0  0  0
 12 14  1  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 17  2  0  0  0  0
 14 26  1  0  0  0  0
 15 17  1  0  0  0  0
 15 27  1  0  0  0  0
 16 18  2  0  0  0  0
 16 28  1  0  0  0  0
 18 19  1  0  0  0  0
 18 29  1  0  0  0  0
M  END

$$$$
D02TQC
  -OEChem-10101305022D

 23 24  0     0  0  0  0  0  0999 V2000
    6.0010   -1.5173    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    7.7610   -0.5520    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.7610    1.5173    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -0.5173    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -0.5173    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    0.9827    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -0.0173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    0.9827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -0.0173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -0.5173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    1.4827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    0.9827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6671   -0.0381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6671    1.0035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -0.0173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    2.1027    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.2927    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2028   -0.3502    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2028    1.3156    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.2073    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -1.1373    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.2927    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9399    1.2927    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
  2  7  2  0  0  0  0
  2 13  1  0  0  0  0
  3  8  2  0  0  0  0
  3 14  1  0  0  0  0
  4  9  1  0  0  0  0
  4 15  2  0  0  0  0
  5 15  1  0  0  0  0
  5 20  1  0  0  0  0
  5 21  1  0  0  0  0
  6 15  1  0  0  0  0
  6 22  1  0  0  0  0
  6 23  1  0  0  0  0
  7  8  1  0  0  0  0
  7 10  1  0  0  0  0
  8 11  1  0  0  0  0
  9 10  2  0  0  0  0
  9 12  1  0  0  0  0
 11 12  2  0  0  0  0
 11 16  1  0  0  0  0
 12 17  1  0  0  0  0
 13 14  2  0  0  0  0
 13 18  1  0  0  0  0
 14 19  1  0  0  0  0
M  END

$$$$
D02TRN
  -OEChem-10121500382D

 48 47  0     0  0  0  0  0  0999 V2000
    2.5369   -1.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -3.0000    0.0000 O   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
    6.8671   -2.0000    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   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651   -1.5000    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
   12.0632    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0632    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9292    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1972   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3312   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9292    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1972   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7953    3.0000    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
    8.1316   -1.0250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3346   -1.0250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4685   -2.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2656   -2.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2006   -2.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9976   -2.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3996   -1.0250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6025   -1.0250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8637   -1.0250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0666   -1.0250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7365   -2.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5335   -2.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8512    1.5826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4526    0.8923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.2753   -0.5826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.6738    0.1077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.1413    0.9174    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.5398    1.6077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9851    0.0826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5866   -0.6077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3312   -2.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.7172    3.0826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.3187    2.3923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6675   -1.0250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8705   -1.0250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7341   -1.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.1053    2.4631    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.3322    3.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.4853    3.5369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 18  1  0  0  0  0
  1 48  1  0  0  0  0
  2 18  2  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3 19  1  0  0  0  0
  3 20  1  0  0  0  0
  4  6  1  0  0  0  0
  4 21  1  0  0  0  0
  4 22  1  0  0  0  0
  5  7  1  0  0  0  0
  5 23  1  0  0  0  0
  5 24  1  0  0  0  0
  6  8  1  0  0  0  0
  6 25  1  0  0  0  0
  6 26  1  0  0  0  0
  7 13  1  0  0  0  0
  7 27  1  0  0  0  0
  7 28  1  0  0  0  0
  8 15  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
  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 14  1  0  0  0  0
 11 35  1  0  0  0  0
 11 36  1  0  0  0  0
 12 16  1  0  0  0  0
 12 37  1  0  0  0  0
 12 38  1  0  0  0  0
 13 16  2  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
 14 41  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 44  1  0  0  0  0
 17 45  1  0  0  0  0
 17 46  1  0  0  0  0
 17 47  1  0  0  0  0
M  END

$$$$
D02TSN
  -OEChem-10191521412D

 53 57  0     1  0  0  0  0  0999 V2000
    7.1962    2.6970    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.1962    2.6970    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1962    2.6970    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.6970    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.1970    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.6970    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.1970    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2764   -3.1077    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    1.6970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1962    1.6970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6962    0.8310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    1.1970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    3.6970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.6970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.1970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.3030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.6970    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.8660    1.1970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    3.1970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.3030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.6970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    3.1970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -1.8030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END

$$$$
D02TVQ
  -OEChem-10191522112D

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M  END

$$$$
D02TVS
  -OEChem-10101305022D

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M  END

$$$$
D02TXW
  -OEChem-10191521452D

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 10 14  1  0  0  0  0
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 11 16  1  0  0  0  0
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 11 21  1  0  0  0  0
 18 12  1  6  0  0  0
 12 23  1  0  0  0  0
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 13 24  2  0  0  0  0
 13 30  1  0  0  0  0
 14 16  1  0  0  0  0
 14 43  1  0  0  0  0
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 18 51  1  0  0  0  0
 20 22  1  0  0  0  0
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 22 25  1  0  0  0  0
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 22 56  1  0  0  0  0
 23 24  1  0  0  0  0
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 27 33  1  0  0  0  0
 27 34  1  0  0  0  0
 27 37  1  0  0  0  0
 28 57  1  0  0  0  0
 29 30  2  0  0  0  0
 29 32  1  0  0  0  0
 30 35  1  0  0  0  0
 31 39  1  0  0  0  0
 31 58  1  0  0  0  0
 31 59  1  0  0  0  0
 32 38  2  0  0  0  0
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 33 64  1  0  0  0  0
 33 65  1  0  0  0  0
 33 66  1  0  0  0  0
 34 61  1  0  0  0  0
 34 62  1  0  0  0  0
 34 63  1  0  0  0  0
 35 36  2  0  0  0  0
 35 67  1  0  0  0  0
 36 38  1  0  0  0  0
 36 40  1  0  0  0  0
 38 68  1  0  0  0  0
 39 69  1  0  0  0  0
 39 70  1  0  0  0  0
 39 71  1  0  0  0  0
 40 73  1  0  0  0  0
 40 74  1  0  0  0  0
 40 75  1  0  0  0  0
 41 42  1  0  0  0  0
 41 76  1  0  0  0  0
 41 77  1  0  0  0  0
 42 78  1  0  0  0  0
 42 79  1  0  0  0  0
 42 80  1  0  0  0  0
M  END

$$$$
D02TYK
  -OEChem-10101305022D

 27 29  0     0  0  0  0  0  0999 V2000
    2.8660    3.7500    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.5443   -1.9453    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5443   -3.5547    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.7500    0.0000 N   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
    3.7320   -1.7500    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
    3.7320   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1279   -2.7500    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
    2.0000    1.2500    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    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7369   -1.3560    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -0.4400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -0.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7479   -2.7500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.9400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    0.9400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -3.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    2.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    2.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 18  1  0  0  0  0
  2  6  1  0  0  0  0
  2 12  1  0  0  0  0
  2 19  1  0  0  0  0
  3  8  1  0  0  0  0
  3 12  2  0  0  0  0
  4  7  1  0  0  0  0
  4 15  2  0  0  0  0
  5  8  2  0  0  0  0
  5 15  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  7  9  1  0  0  0  0
  9 11  2  0  0  0  0
  9 20  1  0  0  0  0
 10 11  1  0  0  0  0
 10 13  2  0  0  0  0
 10 14  1  0  0  0  0
 11 21  1  0  0  0  0
 12 22  1  0  0  0  0
 13 16  1  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 18  2  0  0  0  0
 16 26  1  0  0  0  0
 17 18  1  0  0  0  0
 17 27  1  0  0  0  0
M  END

$$$$
D02TYS
  -OEChem-10101305022D

 18 18  0     0  0  0  0  0  0999 V2000
    3.7599    1.4967    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.2599   -0.6940    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5771   -0.8836    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    4.7599    1.4967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1609   -0.2601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1364    0.7148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3590   -0.2601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9420    0.4458    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7700    1.1996    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3185    1.7657    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6220    2.1011    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.6696   -1.4967    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
  2  6  1  0  0  0  0
  2  8  2  0  0  0  0
  3  8  1  0  0  0  0
  3 17  1  0  0  0  0
  3 18  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  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
  6 13  1  0  0  0  0
  6 14  1  0  0  0  0
  7  8  1  0  0  0  0
  7 15  1  0  0  0  0
  7 16  1  0  0  0  0
M  END

$$$$
D02UCT
  -OEChem-04152111302D

 68 72  0     1  0  0  0  0  0999 V2000
    9.1044   -2.3939    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4925   -0.0322    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.9970    2.5668    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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 11  1  1  1  0  0  0
  1 46  1  0  0  0  0
  2 13  2  0  0  0  0
  3 14  2  0  0  0  0
  4 21  2  0  0  0  0
  5  9  1  0  0  0  0
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  5 14  1  0  0  0  0
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 16  6  1  6  0  0  0
  6 45  1  0  0  0  0
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 10 11  1  0  0  0  0
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 14 15  1  0  0  0  0
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 16 47  1  0  0  0  0
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 18 48  1  0  0  0  0
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 22 27  1  0  0  0  0
 22 50  1  0  0  0  0
 23 28  1  0  0  0  0
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 25 31  2  0  0  0  0
 25 53  1  0  0  0  0
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 27 28  2  0  0  0  0
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 30 33  2  0  0  0  0
 30 61  1  0  0  0  0
 31 33  1  0  0  0  0
 31 62  1  0  0  0  0
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 33 63  1  0  0  0  0
 34 36  1  0  0  0  0
 34 64  1  0  0  0  0
 35 37  2  0  0  0  0
 35 65  1  0  0  0  0
 36 38  2  0  0  0  0
 36 66  1  0  0  0  0
 37 38  1  0  0  0  0
 37 67  1  0  0  0  0
 38 68  1  0  0  0  0
M  END

$$$$
D02UEJ
  -OEChem-10101305022D

 46 48  0     0  0  0  0  0  0999 V2000
    7.9244    2.0018    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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    4.6783   -1.1769    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    5.9674   -2.3336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.8722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END

$$$$
D02UES
  BIDD-NUS20110812001D

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$$$$
D02UHP
  -OEChem-10101305022D

 17 18  0     0  0  0  0  0  0999 V2000
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M  END

$$$$
D02UHS
  -OEChem-10191521472D

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    9.4943    6.3284    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331   -1.6384    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7932    1.4816    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -2.2084    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.2084    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -4.6384    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    3.4220   -5.7915    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951   -6.6384    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0420   -6.8654    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.3100   -3.8654    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  1  0  0  0  0
  1 15  1  0  0  0  0
 12  2  1  1  0  0  0
  2 45  1  0  0  0  0
 14  3  1  1  0  0  0
  3 46  1  0  0  0  0
  4 16  1  0  0  0  0
  4 51  1  0  0  0  0
  5 32  1  0  0  0  0
  5 37  1  0  0  0  0
  6 33  1  0  0  0  0
  6 38  1  0  0  0  0
 13  7  1  6  0  0  0
  7 17  1  0  0  0  0
  7 18  1  0  0  0  0
  8 18  2  0  0  0  0
  8 19  1  0  0  0  0
  9 17  2  0  0  0  0
  9 25  1  0  0  0  0
 10 21  1  0  0  0  0
 10 22  1  0  0  0  0
 10 52  1  0  0  0  0
 11 21  1  0  0  0  0
 11 25  2  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 12 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
 15 16  1  6  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 19  1  0  0  0  0
 18 47  1  0  0  0  0
 19 21  2  0  0  0  0
 20 22  1  0  0  0  0
 20 23  1  0  0  0  0
 20 24  1  0  0  0  0
 20 48  1  0  0  0  0
 22 49  1  0  0  0  0
 22 50  1  0  0  0  0
 23 26  1  0  0  0  0
 23 27  2  0  0  0  0
 24 28  2  0  0  0  0
 24 29  1  0  0  0  0
 25 53  1  0  0  0  0
 26 30  2  0  0  0  0
 26 31  1  0  0  0  0
 27 34  1  0  0  0  0
 27 54  1  0  0  0  0
 28 33  1  0  0  0  0
 28 55  1  0  0  0  0
 29 32  2  0  0  0  0
 29 56  1  0  0  0  0
 30 35  1  0  0  0  0
 30 57  1  0  0  0  0
 31 58  1  0  0  0  0
 31 59  1  0  0  0  0
 31 60  1  0  0  0  0
 32 36  1  0  0  0  0
 33 36  2  0  0  0  0
 34 35  2  0  0  0  0
 34 61  1  0  0  0  0
 35 62  1  0  0  0  0
 36 63  1  0  0  0  0
 37 64  1  0  0  0  0
 37 65  1  0  0  0  0
 37 66  1  0  0  0  0
 38 67  1  0  0  0  0
 38 68  1  0  0  0  0
 38 69  1  0  0  0  0
M  END

$$$$
D02UII
  -OEChem-10101305032D

 16 15  0     1  0  0  0  0  0999 V2000
    4.5981    1.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.2500    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.7500    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.7500    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.7320    1.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.2500    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.7320   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.2500    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
    3.7320   -1.2500    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
    5.1350    0.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -0.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    1.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  8  1  1  1  0  0  0
  1 16  1  0  0  0  0
  2 11  1  0  0  0  0
  3 11  2  0  0  0  0
  4 12  1  0  0  0  0
  5 12  2  0  0  0  0
  6 13  1  0  0  0  0
  7 13  2  0  0  0  0
  8  9  1  0  0  0  0
  8 11  1  0  0  0  0
  8 14  1  0  0  0  0
  9 10  2  0  0  0  0
  9 12  1  0  0  0  0
 10 13  1  0  0  0  0
 10 15  1  0  0  0  0
M  CHG  3   2  -1   4  -1   6  -1
M  END

$$$$
D02UJO
  -OEChem-10191522112D

195202  0     1  0  0  0  0  0999 V2000
    3.7459    4.9857    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   11.7749    1.0178    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.6240    1.7572    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    9.9961   -5.0724    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   13.9347    2.7078    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.2668    3.4521    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2883    3.2458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6885    1.1386    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6850    3.3715    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9777    2.2953    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   13.9812    0.0624    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.4961   -0.7423    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.4961   -2.4744    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.5810    2.1697    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.5560    4.6088    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.9312    4.9407    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   13.0350   -1.2423    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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   15.2704    1.2192    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    9.9961   -3.3404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9167    0.6811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.4961   -4.2064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   15.2239    3.8645    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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M  END

$$$$
D02UJV
  -OEChem-10101305022D

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  9 31  1  0  0  0  0
  9 32  1  0  0  0  0
 10 35  1  0  0  0  0
 10 36  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 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 15  1  0  0  0  0
 14 16  2  0  0  0  0
 15 17  2  0  0  0  0
 15 41  1  0  0  0  0
 16 18  1  0  0  0  0
 16 42  1  0  0  0  0
 17 19  1  0  0  0  0
 18 19  2  0  0  0  0
 18 43  1  0  0  0  0
 19 44  1  0  0  0  0
 21 22  2  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
 23 25  2  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 26  1  0  0  0  0
 25 50  1  0  0  0  0
 26 51  1  0  0  0  0
M  END

$$$$
D02UKE
  -OEChem-10101305032D

 17 18  0     0  0  0  0  0  0999 V2000
    2.2788    0.9139    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.6739    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.8968    0.9139    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5878    1.8649    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0878   -2.6739    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0878   -0.6739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.9538   -1.1739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2218   -1.1739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5878    1.8649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9538   -2.1739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2218   -2.1739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4908   -0.8639    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6848   -0.8639    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9522    2.3665    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4908   -2.4839    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6848   -2.4839    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 10  2  0  0  0  0
  3  4  1  0  0  0  0
  3  7  2  0  0  0  0
  4 10  1  0  0  0  0
  4 15  1  0  0  0  0
  5 11  2  0  0  0  0
  5 12  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  2  0  0  0  0
  6  9  1  0  0  0  0
  8 11  1  0  0  0  0
  8 13  1  0  0  0  0
  9 12  2  0  0  0  0
  9 14  1  0  0  0  0
 11 16  1  0  0  0  0
 12 17  1  0  0  0  0
M  END

$$$$
D02UKY
  -OEChem-04152108492D

 21 22  0     0  0  0  0  0  0999 V2000
    4.2690   -1.8100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6671   -0.3375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -0.3100    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0290   -0.8447    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    1.1900    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0290    1.2247    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    1.1900    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -0.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    0.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9350   -0.3308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -0.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    0.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9350    0.7108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7991   -0.8342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4708    1.0229    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3988   -1.3076    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1958   -1.3106    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    1.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.8800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2028   -0.6496    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  2  0  0  0  0
  2 14  1  0  0  0  0
  2 21  1  0  0  0  0
  3 11  1  0  0  0  0
  3 12  1  0  0  0  0
  3 15  1  0  0  0  0
  4  8  2  0  0  0  0
  4 10  1  0  0  0  0
  5  9  1  0  0  0  0
  5 12  2  0  0  0  0
  6  9  2  0  0  0  0
  6 13  1  0  0  0  0
  7 12  1  0  0  0  0
  7 19  1  0  0  0  0
  7 20  1  0  0  0  0
  8  9  1  0  0  0  0
  8 11  1  0  0  0  0
 10 13  2  0  0  0  0
 10 14  1  0  0  0  0
 13 16  1  0  0  0  0
 14 17  1  0  0  0  0
 14 18  1  0  0  0  0
M  END

$$$$
D02UNX
  -OEChem-10191522492D

 49 52  0     0  0  0  0  0  0999 V2000
    4.5981   -3.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.9939   -5.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5981   -3.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5981   -3.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.5981   -2.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    6.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    6.4103   -5.8047    0.0000 N   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
    2.0000    1.5000    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
    2.0000    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8660    4.0000    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
    3.7320   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.5981   -4.0000    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
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  1  4  2  0  0  0  0
  1  5  2  0  0  0  0
  1  8  1  0  0  0  0
  1 22  1  0  0  0  0
  2 10  1  0  0  0  0
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  8 42  1  0  0  0  0
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 10 25  2  0  0  0  0
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 13 15  1  0  0  0  0
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 13 31  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 18  1  0  0  0  0
 17 20  2  0  0  0  0
 17 21  1  0  0  0  0
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 18 38  1  0  0  0  0
 18 39  1  0  0  0  0
 19 40  1  0  0  0  0
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 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 25  1  0  0  0  0
 22 26  2  0  0  0  0
 23 45  1  0  0  0  0
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 25 27  1  0  0  0  0
 26 28  1  0  0  0  0
 26 47  1  0  0  0  0
 27 29  1  0  0  0  0
 28 29  2  0  0  0  0
 28 48  1  0  0  0  0
 29 49  1  0  0  0  0
M  END

$$$$
D02UTC
  -OEChem-10101305022D

 37 38  0     0  0  0  0  0  0999 V2000
    4.5981   -2.4050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    4.0950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    5.0950    0.0000 O   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
    5.4641    4.0950    0.0000 N   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
    4.5981    0.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.4050    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
    5.4641    1.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.5981    3.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1 10  2  0  0  0  0
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  3  5  1  0  0  0  0
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  4 10  1  0  0  0  0
  4 26  1  0  0  0  0
  5 21  1  0  0  0  0
  5 36  1  0  0  0  0
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  6 23  1  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
  8 10  1  0  0  0  0
  8 24  1  0  0  0  0
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  9 16  2  0  0  0  0
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 11 14  1  0  0  0  0
 11 27  1  0  0  0  0
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 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 13 21  1  0  0  0  0
 14 29  1  0  0  0  0
 15 30  1  0  0  0  0
 16 18  1  0  0  0  0
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 17 19  2  0  0  0  0
 17 32  1  0  0  0  0
 18 20  2  0  0  0  0
 18 33  1  0  0  0  0
 19 20  1  0  0  0  0
 19 34  1  0  0  0  0
 20 35  1  0  0  0  0
M  END

$$$$
D02UUC
  -OEChem-10101305022D

 40 42  0     1  0  0  0  0  0999 V2000
    7.5366   -2.0188    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    8.1716    1.4774    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.3776   -0.7317    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
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    5.5686    0.6696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7448   -0.2473    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 19 38  1  0  0  0  0
 19 39  1  0  0  0  0
 19 40  1  0  0  0  0
M  END

$$$$
D02UUK
  -OEChem-10101305022D

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 35 74  1  0  0  0  0
 35 75  1  0  0  0  0
M  END

$$$$
D02UUO
  -OEChem-10191522052D

 65 64  0     1  0  0  0  0  0999 V2000
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   17.6579    0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.7365    0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.7269   -0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.5239   -0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5380   -1.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.3899    0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.5929    0.7249    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
   19.5474   -0.7869    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    3.2130   -1.1530    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  1  0  0  0  0
  1  6  2  0  0  0  0
 16  2  1  6  0  0  0
  2 60  1  0  0  0  0
  3 22  1  0  0  0  0
  4 64  1  0  0  0  0
  5 65  1  0  0  0  0
 19  7  1  1  0  0  0
  7 56  1  0  0  0  0
  7 57  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
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 10 12  1  0  0  0  0
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 17 18  1  0  0  0  0
 17 43  1  0  0  0  0
 17 44  1  0  0  0  0
 18 20  1  0  0  0  0
 18 45  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 21  1  0  0  0  0
 20 48  1  0  0  0  0
 20 49  1  0  0  0  0
 21 23  1  0  0  0  0
 21 50  1  0  0  0  0
 21 51  1  0  0  0  0
 22 52  1  0  0  0  0
 22 53  1  0  0  0  0
 23 24  1  0  0  0  0
 23 54  1  0  0  0  0
 23 55  1  0  0  0  0
 24 25  1  0  0  0  0
 24 58  1  0  0  0  0
 24 59  1  0  0  0  0
 25 61  1  0  0  0  0
 25 62  1  0  0  0  0
 25 63  1  0  0  0  0
M  END

$$$$
D02UUR
  -OEChem-04152110082D

 30 32  0     0  0  0  0  0  0999 V2000
    2.9230   -0.2729    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.8606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5832    3.9143    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2320    0.6782    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.8607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2320    0.6782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.8606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8198    1.4872    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5411   -0.2729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4131    2.4008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8660   -3.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0000   -4.4806    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3310    4.4806    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
  2 14  1  0  0  0  0
  2 29  1  0  0  0  0
  3 18  1  0  0  0  0
  3 30  1  0  0  0  0
  4  6  2  0  0  0  0
  5  7  1  0  0  0  0
  5  9  2  0  0  0  0
  6  8  1  0  0  0  0
  6  9  1  0  0  0  0
  7 10  2  0  0  0  0
  7 11  1  0  0  0  0
  8 12  2  0  0  0  0
  8 13  1  0  0  0  0
  9 20  1  0  0  0  0
 10 14  1  0  0  0  0
 10 21  1  0  0  0  0
 11 17  2  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
 14 19  2  0  0  0  0
 15 18  2  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 19  1  0  0  0  0
 17 27  1  0  0  0  0
 19 28  1  0  0  0  0
M  END

$$$$
D02UVG
  -OEChem-10101305022D

 25 27  0     0  0  0  0  0  0999 V2000
    2.0000   -0.0608    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    5.5047    0.8518    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0321   -0.2724    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    6.3137    0.2640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6897   -1.4718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0047   -0.6871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3291    0.4963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7102   -1.2631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6957    0.2640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3197   -1.4718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6803    0.4963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.9773   -0.2724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.0895    1.0681    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1 14  1  0  0  0  0
  2  5  1  0  0  0  0
  2 10  1  0  0  0  0
  2 21  1  0  0  0  0
  3  8  1  0  0  0  0
  3  9  1  0  0  0  0
  3 22  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  4  7  1  0  0  0  0
  5  8  1  0  0  0  0
  6  9  1  0  0  0  0
  6 15  1  0  0  0  0
  6 16  1  0  0  0  0
  7 10  2  0  0  0  0
  7 11  1  0  0  0  0
  8 17  1  0  0  0  0
  8 18  1  0  0  0  0
  9 19  1  0  0  0  0
  9 20  1  0  0  0  0
 10 12  1  0  0  0  0
 11 13  2  0  0  0  0
 11 23  1  0  0  0  0
 12 14  2  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
M  END

$$$$
D02UVH
  -OEChem-10101305032D

 48 48  0     1  0  0  0  0  0999 V2000
    4.2690   -1.3450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -1.3450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -4.3450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -3.3450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -3.3450    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
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    5.1350   -2.8450    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.4030   -1.8450    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    6.0010   -0.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.0021    4.9650    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
  1 11  1  0  0  0  0
 11  2  1  1  0  0  0
  2 13  1  0  0  0  0
  7  3  1  1  0  0  0
  3 34  1  0  0  0  0
  8  4  1  6  0  0  0
  4 35  1  0  0  0  0
  9  5  1  6  0  0  0
  5 38  1  0  0  0  0
  6 12  1  0  0  0  0
  6 43  1  0  0  0  0
  7  8  1  0  0  0  0
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  7 21  1  0  0  0  0
  8 10  1  0  0  0  0
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  9 11  1  0  0  0  0
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 10 12  1  1  0  0  0
 10 24  1  0  0  0  0
 11 25  1  0  0  0  0
 12 26  1  0  0  0  0
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 13 14  1  0  0  0  0
 13 28  1  0  0  0  0
 13 29  1  0  0  0  0
 14 15  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 17  1  0  0  0  0
 16 36  1  0  0  0  0
 16 37  1  0  0  0  0
 17 18  1  0  0  0  0
 17 39  1  0  0  0  0
 17 40  1  0  0  0  0
 18 19  1  0  0  0  0
 18 41  1  0  0  0  0
 18 42  1  0  0  0  0
 19 20  1  0  0  0  0
 19 44  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
 20 48  1  0  0  0  0
M  END

$$$$
D02UVR
  -OEChem-10191521432D

104109  0     1  0  0  0  0  0999 V2000
   12.7087   -0.5930    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    3.5758    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.9703   -2.6926    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END

$$$$
D02UVS
  -OEChem-10101305032D

 24 23  0     0  0  0  0  0  0999 V2000
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 10 22  1  0  0  0  0
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M  END

$$$$
D02UWB
  -OEChem-10191521332D

 28 29  0     0  0  0  0  0  0999 V2000
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  3 25  1  0  0  0  0
  3 26  1  0  0  0  0
  4 15  1  0  0  0  0
  4 27  1  0  0  0  0
  4 28  1  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  5  9  2  0  0  0  0
  6  7  2  0  0  0  0
  6 10  1  0  0  0  0
  7 12  1  0  0  0  0
  8 11  1  0  0  0  0
  8 16  1  0  0  0  0
  8 17  1  0  0  0  0
  9 18  1  0  0  0  0
 10 13  2  0  0  0  0
 10 20  1  0  0  0  0
 11 21  1  0  0  0  0
 11 22  1  0  0  0  0
 12 14  2  0  0  0  0
 12 23  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 14 24  1  0  0  0  0
M  END

$$$$
D02UYR
  -OEChem-10101305032D

 56 56  0     1  0  0  0  0  0999 V2000
    5.4641    1.8450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.3450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    0.8450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    2.3450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    3.3450    0.0000 O   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
    2.8660    2.3450    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    2.3450    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.8450    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.3301    0.3450    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.0000   -0.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3660    1.2110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3660   -0.5210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    0.8450    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.4641    0.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.8450    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
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    2.8660    3.3450    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
    3.7320    0.2250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7932    0.0350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0560    1.7480    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    1.6900    0.3819    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    3.9030   -0.2110    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
    7.6636   -0.1299    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4607   -0.1299    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9272   -0.8450    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331   -0.8450    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291    2.0350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    7.7331   -2.4650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4860    3.3450    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    5.7101   -3.6550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1 16  2  0  0  0  0
  2 17  2  0  0  0  0
  3 19  1  0  0  0  0
  3 52  1  0  0  0  0
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  5  8  1  0  0  0  0
  5 56  1  0  0  0  0
 10  6  1  1  0  0  0
  6 16  1  0  0  0  0
  6 30  1  0  0  0  0
  7 17  1  0  0  0  0
  7 26  1  0  0  0  0
  7 45  1  0  0  0  0
  8 20  1  0  0  0  0
  8 51  1  0  0  0  0
  9 10  1  0  0  0  0
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  9 13  1  0  0  0  0
  9 14  1  0  0  0  0
 10 17  1  0  0  0  0
 10 28  1  0  0  0  0
 11 15  1  0  0  0  0
 11 16  1  1  0  0  0
 11 18  1  0  0  0  0
 11 29  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 31  1  0  0  0  0
 13 32  1  0  0  0  0
 13 33  1  0  0  0  0
 14 37  1  0  0  0  0
 14 38  1  0  0  0  0
 14 39  1  0  0  0  0
 15 19  1  6  0  0  0
 15 20  1  0  0  0  0
 15 40  1  0  0  0  0
 18 21  2  0  0  0  0
 18 22  1  0  0  0  0
 19 41  1  0  0  0  0
 19 42  1  0  0  0  0
 21 23  1  0  0  0  0
 21 43  1  0  0  0  0
 22 24  2  0  0  0  0
 22 44  1  0  0  0  0
 23 25  2  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 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 53  1  0  0  0  0
 27 54  1  0  0  0  0
 27 55  1  0  0  0  0
M  END

$$$$
D02UZI
  -OEChem-10101305032D

 25 26  0     0  0  0  0  0  0999 V2000
    3.7320   -1.5600    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.9400    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
    3.7320    1.4400    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
    4.5981   -0.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.4400    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
    5.4641   -0.5600    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
    3.7320   -0.5600    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
    2.0000   -1.5600    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
    3.7320    2.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291    1.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0611   -0.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    2.0600    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
    5.4641   -1.1800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    1.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -0.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -0.3700    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
    2.8660   -2.6800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  0  0  0  0
  1 14  2  0  0  0  0
  2  4  1  0  0  0  0
  2  6  2  0  0  0  0
  2  7  1  0  0  0  0
  3  5  1  0  0  0  0
  3  8  1  0  0  0  0
  3 11  2  0  0  0  0
  4  5  2  0  0  0  0
  4 15  1  0  0  0  0
  5 16  1  0  0  0  0
  6  9  1  0  0  0  0
  6 17  1  0  0  0  0
  7 10  2  0  0  0  0
  7 18  1  0  0  0  0
  8 13  2  0  0  0  0
  8 19  1  0  0  0  0
  9 12  2  0  0  0  0
  9 20  1  0  0  0  0
 10 12  1  0  0  0  0
 10 21  1  0  0  0  0
 11 22  1  0  0  0  0
 12 23  1  0  0  0  0
 13 14  1  0  0  0  0
 13 24  1  0  0  0  0
 14 25  1  0  0  0  0
M  END

$$$$
D02VFF
  -OEChem-10191522492D

 39 40  0     0  0  0  0  0  0999 V2000
    2.0000   -2.7500    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -5.7500    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.7500    0.0000 O   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
    5.4641    4.2500    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
    5.4641    3.2500    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
    6.3301    5.7500    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    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0010    1.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951   -0.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -0.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951   -1.4400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -2.9400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -4.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -4.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 18  1  0  0  0  0
  2 22  1  0  0  0  0
  3  8  1  0  0  0  0
  3  9  1  0  0  0  0
  4 16  2  0  0  0  0
  5 16  1  0  0  0  0
  5 17  1  0  0  0  0
  5 36  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
  6 24  1  0  0  0  0
  7 10  1  0  0  0  0
  7 25  1  0  0  0  0
  7 26  1  0  0  0  0
  8 27  1  0  0  0  0
  8 28  1  0  0  0  0
  9 12  2  0  0  0  0
  9 13  1  0  0  0  0
 10 29  1  0  0  0  0
 10 30  1  0  0  0  0
 10 31  1  0  0  0  0
 11 14  2  0  0  0  0
 11 15  1  0  0  0  0
 11 16  1  0  0  0  0
 12 14  1  0  0  0  0
 12 32  1  0  0  0  0
 13 15  2  0  0  0  0
 13 33  1  0  0  0  0
 14 34  1  0  0  0  0
 15 35  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 37  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
M  END

$$$$
D02VFM
  BIDD-NUS20110812001D

 38 39  0  0  0  0  0  0  0  0999 V2000
    1.4292   -5.6250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4208   -6.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7250   -5.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1333   -6.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7083   -6.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0042   -5.6083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0042   -6.4333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7042   -7.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1333   -7.6833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8417   -6.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3042   -5.3292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7333   -4.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1500   -5.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4208   -8.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7125   -6.8458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    3.5458   -6.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2583   -6.4333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    8.5833   -5.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7125   -6.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8917   -4.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0125   -4.9083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8625   -5.6458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  1  2  0  0  0  0 
  3  1  1  0  0  0  0 
  4  2  1  0  0  0  0 
  5  2  1  0  0  0  0 
  6  3  2  0  0  0  0 
  7  6  1  0  0  0  0 
  8  5  1  0  0  0  0 
  9  4  1  0  0  0  0 
 10  4  2  0  0  0  0 
 11 20  1  0  0  0  0 
 12  3  1  0  0  0  0 
 13  1  1  0  0  0  0 
 14  8  2  0  0  0  0 
 15  7  1  0  0  0  0 
 16  9  2  0  0  0  0 
 17 10  1  0  0  0  0 
 18 17  1  0  0  0  0 
 19 17  2  0  0  0  0 
 20 27  1  0  0  0  0 
 21 11  1  0  0  0  0 
 22 11  1  0  0  0  0 
 23 11  1  0  0  0  0 
 24 12  2  0  0  0  0 
 25 12  1  0  0  0  0 
 26 13  1  0  0  0  0 
 27 30  1  0  0  0  0 
 28 33  1  0  0  0  0 
 29 28  1  0  0  0  0 
 30 29  1  0  0  0  0 
 31 26  1  0  0  0  0 
 32 31  1  0  0  0  0 
 33 32  1  0  0  0  0 
 34 25  2  0  0  0  0 
 35 24  1  0  0  0  0 
 36 34  1  0  0  0  0 
  5  7  2  0  0  0  0 
  9 14  1  0  0  0  0 
 36 35  2  0  0  0  0 
 19 16  1  0  0  0  0 
M  CHG  1   1   1
M  CHG  1  11   1
M  CHG  1  37  -1
M  CHG  1  38  -1
M  ENDM  END

$$$$
D02VFQ
  -OEChem-10101305022D

 33 34  0     0  0  0  0  0  0999 V2000
   11.5263    0.8100    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
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    2.8660   -1.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8660    0.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.7942    0.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603    0.3100    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
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    8.3913    0.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942    1.4300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1972   -1.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 19  1  0  0  0  0
  2 12  2  0  0  0  0
  3 13  1  0  0  0  0
  4  8  1  0  0  0  0
  4 12  1  0  0  0  0
  4 25  1  0  0  0  0
  5 12  1  0  0  0  0
  5 16  1  0  0  0  0
  5 30  1  0  0  0  0
  6 16  2  0  0  0  0
  6 20  1  0  0  0  0
  7  8  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 23  1  0  0  0  0
  8 24  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 10 13  1  0  0  0  0
 10 26  1  0  0  0  0
 11 14  2  0  0  0  0
 11 27  1  0  0  0  0
 13 15  2  0  0  0  0
 14 15  1  0  0  0  0
 14 28  1  0  0  0  0
 15 29  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  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 20  2  0  0  0  0
 20 33  1  0  0  0  0
M  END

$$$$
D02VGM
  -OEChem-10191521262D

 48 51  0     1  0  0  0  0  0999 V2000
    6.1225   -0.5246    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5708    1.1485    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    9.8982   -3.3568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3342   -3.5980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9545   -0.2834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8342   -2.7319    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1570   -2.3908    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8637    0.4414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8978    0.7002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9318    0.9590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0000    1.4766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  6  1  0  0  0  0
  1 12  1  0  0  0  0
  2 12  2  0  0  0  0
  3 13  1  0  0  0  0
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  4  9  1  0  0  0  0
  4 10  1  0  0  0  0
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  5  6  1  0  0  0  0
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  5  8  1  0  0  0  0
  5 26  1  0  0  0  0
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 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
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 14 17  2  0  0  0  0
 14 19  1  0  0  0  0
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 16 20  1  0  0  0  0
 16 39  1  0  0  0  0
 17 21  1  0  0  0  0
 17 40  1  0  0  0  0
 18 22  2  0  0  0  0
 18 41  1  0  0  0  0
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 20 24  2  0  0  0  0
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 21 44  1  0  0  0  0
 22 24  1  0  0  0  0
 22 45  1  0  0  0  0
 23 25  1  0  0  0  0
 23 46  1  0  0  0  0
 24 48  1  0  0  0  0
 25 47  1  0  0  0  0
M  END

$$$$
D02VGS
  -OEChem-10191522042D

136139  0     1  0  0  0  0  0999 V2000
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M  END

$$$$
D02VHD
  -OEChem-04152109542D

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 20 39  1  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
 21 42  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 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
 25 45  1  0  0  0  0
 26 27  1  0  0  0  0
 26 46  1  0  0  0  0
 27 28  1  0  0  0  0
M  END

$$$$
D02VHJ
  -OEChem-10101305022D

 37 39  0     0  0  0  0  0  0999 V2000
    4.9889    1.1386    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.9394    0.8279    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0384    1.4492    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783    0.1881    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2781   -3.5287    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783   -1.4214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2619   -0.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9889   -2.3719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.3833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2996    2.0891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0000   -0.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2781    2.2953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6318    2.8334    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5888    3.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9424    3.7839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9209    3.9901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8819   -0.6167    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    5.9880   -1.9585    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    0.1933    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -1.4267    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6922    1.8338    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0251    2.7055    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8848   -3.6565    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8640   -3.9901    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1954    3.3737    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5284    4.2454    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1135    4.5795    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  4  1  0  0  0  0
  1 13  1  0  0  0  0
  4  7  1  0  0  0  0
  4  9  1  0  0  0  0
  5 14  1  0  0  0  0
  5 33  1  0  0  0  0
  5 34  1  0  0  0  0
  6  8  1  0  0  0  0
  6  9  2  0  0  0  0
  6 10  1  0  0  0  0
  7  8  1  0  0  0  0
  7 11  2  0  0  0  0
  8 12  2  0  0  0  0
  9 22  1  0  0  0  0
 10 14  1  0  0  0  0
 10 23  1  0  0  0  0
 10 24  1  0  0  0  0
 11 15  1  0  0  0  0
 11 25  1  0  0  0  0
 12 16  1  0  0  0  0
 12 26  1  0  0  0  0
 13 17  2  0  0  0  0
 13 18  1  0  0  0  0
 14 27  1  0  0  0  0
 14 28  1  0  0  0  0
 15 16  2  0  0  0  0
 15 29  1  0  0  0  0
 16 30  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
 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
M  END

$$$$
D02VHZ
  -OEChem-10101305022D

 33 33  0     1  0  0  0  0  0999 V2000
    2.8660   -2.1550    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    3.3450    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.3450    0.0000 C   0  0  3  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
    4.5981    1.8450    0.0000 C   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
    5.4641    2.3450    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
    3.7320    0.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.6550    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
    2.8660   -1.1550    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
    2.0000   -3.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4682    2.7700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6540    2.4276    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2554    1.7373    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1996    1.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    1.3800   -3.6550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.6200   -3.6550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  1  0  0  0  0
  1 13  1  0  0  0  0
  2  3  1  0  0  0  0
  2 23  1  0  0  0  0
  2 24  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3 15  1  0  0  0  0
  4  6  1  0  0  0  0
  4 16  1  0  0  0  0
  4 17  1  0  0  0  0
  5  7  1  0  0  0  0
  5 18  1  0  0  0  0
  5 19  1  0  0  0  0
  6  8  2  0  0  0  0
  6  9  1  0  0  0  0
  7 20  1  0  0  0  0
  7 21  1  0  0  0  0
  7 22  1  0  0  0  0
  8 10  1  0  0  0  0
  8 25  1  0  0  0  0
  9 11  2  0  0  0  0
  9 26  1  0  0  0  0
 10 12  2  0  0  0  0
 10 27  1  0  0  0  0
 11 12  1  0  0  0  0
 11 28  1  0  0  0  0
 13 14  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
 14 33  1  0  0  0  0
M  END

$$$$
D02VIV
  -OEChem-10101305022D

 24 25  0     0  0  0  0  0  0999 V2000
    4.2690   -2.1550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -0.6550    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.8450    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    0.8450    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    1.8450    0.0000 N   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
    5.1350    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    0.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0290   -1.1897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.5369   -1.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  8  2  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
  3  7  1  0  0  0  0
  3  9  2  0  0  0  0
  4  5  1  0  0  0  0
  4  9  1  0  0  0  0
  4 22  1  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 10  2  0  0  0  0
  7 11  2  0  0  0  0
 10 13  1  0  0  0  0
 10 15  1  0  0  0  0
 11 14  1  0  0  0  0
 11 16  1  0  0  0  0
 12 17  1  0  0  0  0
 12 18  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 21  1  0  0  0  0
M  END

$$$$
D02VIW
  -OEChem-10101305022D

 63 67  0     1  0  0  0  0  0999 V2000
    5.5443   -4.6342    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.1836    0.9030    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   10.1279   -3.8294    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4692    4.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4262    4.7051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7799    5.2432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 32 60  1  0  0  0  0
 33 34  1  0  0  0  0
 33 61  1  0  0  0  0
M  END

$$$$
D02VIZ
  -OEChem-10191522112D

 36 38  0     1  0  0  0  0  0999 V2000
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 17 18  1  0  0  0  0
 18 34  1  0  0  0  0
 18 35  1  0  0  0  0
 18 36  1  0  0  0  0
M  END

$$$$
D02VJX
  -OEChem-10191521412D

 72 75  0     0  0  0  0  0  0999 V2000
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 39 69  1  0  0  0  0
 40 70  1  0  0  0  0
 40 71  1  0  0  0  0
 40 72  1  0  0  0  0
M  END

$$$$
D02VKU
  -OEChem-10191522232D

370374  0     1  0  0  0  0  0999 V2000
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   13.5768    3.6141    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   27.7817   -2.8942    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   28.0432    0.5960    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.5697   -7.1797    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   26.4776    3.7262    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END

$$$$
D02VKX
  -OEChem-10101305022D

 38 41  0     0  0  0  0  0  0999 V2000
    5.4050    0.0251    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6730    3.0251    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6730   -0.9749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5092   -2.4232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 17 36  1  0  0  0  0
M  END

$$$$
D02VLR
  -OEChem-10101305022D

 36 36  0     0  0  0  0  0  0999 V2000
    8.0622   -0.2500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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   11.5263    0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 10 13  2  0  0  0  0
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 18 34  1  0  0  0  0
 18 35  1  0  0  0  0
 18 36  1  0  0  0  0
M  END

$$$$
D02VPC
  -OEChem-10101305022D

 23 24  0     0  0  0  0  0  0999 V2000
    2.5369    0.1771    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6811    2.0891    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0382    0.3943    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0812   -1.6276    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -0.3229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0812   -0.0182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -1.3229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6648   -0.8229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3919    0.9324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.1771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -1.8229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -0.3229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -1.3229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3704    1.1386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2848   -0.8229    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3713    1.5520    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7781    1.0197    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2738   -2.2170    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.7971    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -2.4429    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.6329    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.1329    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2877    2.2170    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  1  0  0  0  0
  1 22  1  0  0  0  0
  2 14  1  0  0  0  0
  2 23  1  0  0  0  0
  3 14  2  0  0  0  0
  4  7  1  0  0  0  0
  4  8  1  0  0  0  0
  4 18  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  2  0  0  0  0
  5 10  1  0  0  0  0
  6  8  2  0  0  0  0
  6  9  1  0  0  0  0
  7 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 17  1  0  0  0  0
 10 12  2  0  0  0  0
 10 19  1  0  0  0  0
 11 13  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
M  END

$$$$
D02VPW
  -OEChem-10191521212D

 41 42  0     1  0  0  0  0  0999 V2000
    5.4641   -0.4860    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.5140    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8600   -2.4860    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.5140    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2764   -1.6812    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2764   -3.2907    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    3.0140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.5140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.0140    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.0000    3.5140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3660    3.8800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3660    2.1480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.0140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.4860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -1.9860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -2.9860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.9860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -3.4860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8600   -2.4860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.9860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1215    1.6217    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5200    0.9314    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    2.8240    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.6340    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100    4.0510    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8291    2.4580    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0560    1.6111    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9030    1.8380    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9030    3.5700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6760    4.4170    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8291    4.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    3.8240    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900    2.9771    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9875    0.1217    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3860   -0.5686    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    2.1340    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0611   -1.6760    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4690   -1.0919    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4690   -3.8800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -4.1060    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0611   -3.2960    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
  9  2  1  6  0  0  0
  2 36  1  0  0  0  0
  3 19  2  0  0  0  0
  4  7  1  0  0  0  0
  4  8  1  0  0  0  0
  4 23  1  0  0  0  0
  5 15  1  0  0  0  0
  5 19  1  0  0  0  0
  5 38  1  0  0  0  0
  6 16  1  0  0  0  0
  6 19  1  0  0  0  0
  6 39  1  0  0  0  0
  7 10  1  0  0  0  0
  7 11  1  0  0  0  0
  7 12  1  0  0  0  0
  8  9  1  0  0  0  0
  8 21  1  0  0  0  0
  8 22  1  0  0  0  0
  9 13  1  0  0  0  0
  9 24  1  0  0  0  0
 10 25  1  0  0  0  0
 10 32  1  0  0  0  0
 10 33  1  0  0  0  0
 11 29  1  0  0  0  0
 11 30  1  0  0  0  0
 11 31  1  0  0  0  0
 12 26  1  0  0  0  0
 12 27  1  0  0  0  0
 12 28  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
 14 17  2  0  0  0  0
 15 16  2  0  0  0  0
 16 18  1  0  0  0  0
 17 20  1  0  0  0  0
 17 37  1  0  0  0  0
 18 20  2  0  0  0  0
 18 40  1  0  0  0  0
 20 41  1  0  0  0  0
M  END

$$$$
D02VQK
  -OEChem-10101305032D

 36 38  0     0  0  0  0  0  0999 V2000
    5.4791    1.5526    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.8041   -4.5352    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9380   -0.0352    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6701   -0.0352    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8611    1.5526    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5823    3.3126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1701    2.5036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8041   -1.5352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6701    0.9648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8041   -0.5352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9380   -2.0352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6701   -2.0352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9890    4.2262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5878    3.2081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1701    2.5036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8041   -3.5352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9380   -3.0352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6701   -3.0352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4013    5.0352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    4.0171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4067    4.9307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9380   -5.0352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2070   -0.3452    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.6056    4.2910    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3356    2.6417    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5345    3.0052    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4011   -3.3452    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2070   -3.3452    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6534    5.6016    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3834    3.9523    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0423    5.4323    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6280   -4.4983    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4011   -5.3452    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2480   -5.5722    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  1 15  1  0  0  0  0
  2 16  1  0  0  0  0
  2 22  1  0  0  0  0
  3 10  2  0  0  0  0
  4  9  1  0  0  0  0
  4 10  1  0  0  0  0
  4 23  1  0  0  0  0
  5  7  1  0  0  0  0
  5  9  2  0  0  0  0
  6  7  1  0  0  0  0
  6 13  2  0  0  0  0
  6 14  1  0  0  0  0
  7 15  2  0  0  0  0
  8 10  1  0  0  0  0
  8 11  2  0  0  0  0
  8 12  1  0  0  0  0
 11 17  1  0  0  0  0
 11 24  1  0  0  0  0
 12 18  2  0  0  0  0
 12 25  1  0  0  0  0
 13 19  1  0  0  0  0
 13 26  1  0  0  0  0
 14 20  2  0  0  0  0
 14 27  1  0  0  0  0
 15 28  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 17 29  1  0  0  0  0
 18 30  1  0  0  0  0
 19 21  2  0  0  0  0
 19 31  1  0  0  0  0
 20 21  1  0  0  0  0
 20 32  1  0  0  0  0
 21 33  1  0  0  0  0
 22 34  1  0  0  0  0
 22 35  1  0  0  0  0
 22 36  1  0  0  0  0
M  END

$$$$
D02VQO
  -OEChem-10191522462D

 68 71  0     0  0  0  0  0  0999 V2000
   14.1244    5.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   14.1244   -1.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.3923    2.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.8564   -4.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -2.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.3923   -1.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.2583    0.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603   -1.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.5263    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
    6.3301   -0.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -2.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.3923   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5263   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2583   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1244    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2583   -2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3923    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1244    2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2583   -3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1244   -2.0000    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
   14.9904    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2583    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1244   -4.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9904   -2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9904   -3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9904    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2583    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1244    4.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   15.8564   -5.0000    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
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    2.8660    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7817   -1.8923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.1803   -2.5826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.3364    0.4174    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.7349    1.1077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603   -1.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1928   -0.0251    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3957   -0.0251    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.7214   -3.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.1244   -1.3800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5297   -1.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3267   -1.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.5273    2.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.7214    2.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   12.7214    3.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   15.2364   -5.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.8564   -5.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.4764   -5.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6592   -2.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331   -2.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1 32  1  0  0  0  0
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  3 16  2  0  0  0  0
  4 19  2  0  0  0  0
  5 29  1  0  0  0  0
  5 34  1  0  0  0  0
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  8 16  1  0  0  0  0
  8 17  1  0  0  0  0
  8 19  1  0  0  0  0
  9 15  1  0  0  0  0
  9 21  1  0  0  0  0
  9 46  1  0  0  0  0
 10 15  2  0  0  0  0
 10 19  1  0  0  0  0
 11 24  1  0  0  0  0
 11 33  2  0  0  0  0
 12 33  1  0  0  0  0
 12 35  1  0  0  0  0
 12 59  1  0  0  0  0
 13 33  1  0  0  0  0
 13 63  1  0  0  0  0
 13 64  1  0  0  0  0
 14 18  1  0  0  0  0
 14 42  1  0  0  0  0
 14 43  1  0  0  0  0
 17 20  1  0  0  0  0
 17 44  1  0  0  0  0
 17 45  1  0  0  0  0
 18 22  2  0  0  0  0
 18 23  1  0  0  0  0
 20 25  2  0  0  0  0
 20 26  1  0  0  0  0
 21 24  1  0  0  0  0
 21 47  1  0  0  0  0
 21 48  1  0  0  0  0
 22 27  1  0  0  0  0
 22 49  1  0  0  0  0
 23 28  2  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 30  1  0  0  0  0
 25 53  1  0  0  0  0
 26 31  2  0  0  0  0
 26 54  1  0  0  0  0
 27 29  2  0  0  0  0
 27 55  1  0  0  0  0
 28 29  1  0  0  0  0
 28 56  1  0  0  0  0
 30 32  2  0  0  0  0
 30 57  1  0  0  0  0
 31 32  1  0  0  0  0
 31 58  1  0  0  0  0
 34 60  1  0  0  0  0
 34 61  1  0  0  0  0
 34 62  1  0  0  0  0
 35 36  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 65  1  0  0  0  0
 38 40  2  0  0  0  0
 38 66  1  0  0  0  0
 39 41  2  0  0  0  0
 39 67  1  0  0  0  0
 40 41  1  0  0  0  0
 40 68  1  0  0  0  0
M  END

$$$$
D02VQU
  -OEChem-04152110572D

 55 57  0     0  0  0  0  0  0999 V2000
    3.0000   -2.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0000   -2.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    4.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -1.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7320    4.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5981    6.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -6.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -6.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0000   -6.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1340   -4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8660   -4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1340   -3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8660   -3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8660   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8660    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7320    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8660    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7320    2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8660    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7320    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8660    5.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5981    5.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8660    6.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7320    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3800   -7.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -7.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6200   -7.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -5.3800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3800   -6.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -6.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0000   -6.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6200   -6.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0000   -5.3800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5970   -4.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4030   -4.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5970   -3.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4030   -3.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4631   -0.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0781   -1.0826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4766   -0.3923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2690    0.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4631    0.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2690    2.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4631    2.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2690    3.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3291    5.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1350    5.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3291    6.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7320    7.6200    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  5  1  0  0  0  0
  1 15  1  0  0  0  0
  4 25  2  0  0  0  0
  5 18  1  0  0  0  0
  5 44  1  0  0  0  0
  6 25  1  0  0  0  0
  6 26  1  0  0  0  0
  6 51  1  0  0  0  0
  7 28  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 12  1  0  0  0  0
  9 13  2  0  0  0  0
  9 14  1  0  0  0  0
 10 31  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
 11 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 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  1  0  0  0  0
 18 45  1  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 23  1  0  0  0  0
 20 47  1  0  0  0  0
 21 24  2  0  0  0  0
 21 48  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 49  1  0  0  0  0
 24 50  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 52  1  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
M  END

$$$$
D02VRN
  -OEChem-04152109002D

 60 60  0     0  0  0  0  0  0999 V2000
   13.4426    1.5099    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1483   10.0742    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4162    7.0742    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4162    9.0742    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.2912    0.0000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   15.1745    1.4899    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0010    4.5556    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5369    6.5556    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2690    4.5556    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    5.0556    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8967    6.0397    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.8143    7.5534    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9083    9.1089    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.3028    0.9999    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   11.7453    4.5297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6055    4.0198    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7569    5.5297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5939    3.0198    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9083    7.0396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0143    7.5742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4541    2.5098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0143    8.5742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1483    7.0742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1483    9.0742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2823    7.5742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2823    8.5742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8143    8.5951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2823   10.5742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4162    6.0742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5502    8.5742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1350    6.0556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2690    6.5556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1350    5.0556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    6.0556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1360    4.6445    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5265    3.9496    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.2148    3.9050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.8243    4.5999    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.3662    5.4150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9757    6.1098    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9846    3.1345    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.3752    2.4397    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3562    5.7359    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.0634    2.3951    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.6729    3.0900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1483    6.4542    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.3501    8.9071    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5923   11.1112    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7453   10.8842    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9723   10.0373    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7962    6.0742    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4162    5.4542    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0362    6.0742    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2402    9.1112    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0133    8.2642    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8602    8.0373    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6720    6.3656    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2690    7.1756    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0010    3.9356    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.2456    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 14  1  0  0  0  0
  1 21  1  0  0  0  0
  2 24  1  0  0  0  0
  2 28  1  0  0  0  0
  3 25  1  0  0  0  0
  3 29  1  0  0  0  0
  4 26  1  0  0  0  0
  4 30  1  0  0  0  0
  5 14  1  0  0  0  0
  6 14  2  0  0  0  0
  7 33  1  0  0  0  0
  7 59  1  0  0  0  0
  8 34  1  0  0  0  0
  8 60  1  0  0  0  0
  9 33  2  0  0  0  0
 10 34  2  0  0  0  0
 11 17  1  0  0  0  0
 11 19  1  0  0  0  0
 11 43  1  0  0  0  0
 12 19  2  0  0  0  0
 12 27  1  0  0  0  0
 13 22  1  0  0  0  0
 13 27  2  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 15 35  1  0  0  0  0
 15 36  1  0  0  0  0
 16 18  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 21  1  0  0  0  0
 18 41  1  0  0  0  0
 18 42  1  0  0  0  0
 19 20  1  0  0  0  0
 20 22  1  0  0  0  0
 20 23  2  0  0  0  0
 21 44  1  0  0  0  0
 21 45  1  0  0  0  0
 22 24  2  0  0  0  0
 23 25  1  0  0  0  0
 23 46  1  0  0  0  0
 24 26  1  0  0  0  0
 25 26  2  0  0  0  0
 27 47  1  0  0  0  0
 28 48  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
 29 53  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
 31 32  2  0  0  0  0
 31 33  1  0  0  0  0
 31 57  1  0  0  0  0
 32 34  1  0  0  0  0
 32 58  1  0  0  0  0
M  CHG  2   5  -1  14   1
M  END

$$$$
D02VSL
  -OEChem-10121501382D

 55 57  0     1  0  0  0  0  0999 V2000
    6.3961   -1.8362    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6641   -1.8362    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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  1  4  1  0  0  0  0
  1  8  1  0  0  0  0
  2  3  1  0  0  0  0
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  2  5  1  0  0  0  0
  2 24  1  1  0  0  0
  3  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3 25  1  6  0  0  0
  4 10  1  0  0  0  0
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  5 26  1  0  0  0  0
  5 27  1  0  0  0  0
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 22 51  1  0  0  0  0
 22 52  1  0  0  0  0
 23 53  1  0  0  0  0
 23 54  1  0  0  0  0
 23 55  1  0  0  0  0
M  END

$$$$
D02VUM
  -OEChem-10191522182D

 62 62  0     1  0  0  0  0  0999 V2000
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  1 10  1  0  0  0  0
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  8 31  1  0  0  0  0
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  9 33  1  0  0  0  0
 10 14  1  0  0  0  0
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 13 15  1  0  0  0  0
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 13 39  1  0  0  0  0
 14 21  1  0  0  0  0
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 14 41  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
 18 20  2  0  0  0  0
 18 23  1  0  0  0  0
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 19 44  1  0  0  0  0
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 22 25  1  0  0  0  0
 22 47  1  0  0  0  0
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 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
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 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
 30 62  1  0  0  0  0
M  END

$$$$
D02VVG
  -OEChem-10101305022D

164171  0     1  0  0  0  0  0999 V2000
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M  END

$$$$
D02VVU
  -OEChem-10101305022D

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    6.0010    2.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.4030   -1.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.8671    2.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8660    1.9650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.5981    3.9650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.1550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8059   -1.1550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4040    2.3450    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  1  3  2  0  0  0  0
  1  6  1  0  0  0  0
  1  8  1  0  0  0  0
  4 20  2  0  0  0  0
  5  7  1  0  0  0  0
  5 32  1  0  0  0  0
  6  9  1  0  0  0  0
  6 21  1  0  0  0  0
  7 20  1  0  0  0  0
  7 31  1  0  0  0  0
  8 12  2  0  0  0  0
  8 13  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 10 15  1  0  0  0  0
 10 22  1  0  0  0  0
 11 16  2  0  0  0  0
 11 23  1  0  0  0  0
 12 17  1  0  0  0  0
 12 24  1  0  0  0  0
 13 18  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
 14 20  1  0  0  0  0
 15 26  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 19  1  0  0  0  0
 18 29  1  0  0  0  0
 19 30  1  0  0  0  0
M  END

$$$$
D02VXW
  -OEChem-10101305032D

 28 29  0     0  0  0  0  0  0999 V2000
    3.6750    2.8644    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.6180   -3.2234    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.6750    2.8644    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6750    2.8644    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6750    3.8644    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6750    1.8644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6750   -0.1356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8090    1.3644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5411    1.3644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8090    0.3644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5411    0.3644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6750   -1.1356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8090   -1.6356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0000   -3.2234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3090   -4.1744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3090   -4.1744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2721    1.6744    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    5.0780    0.0544    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2120   -1.4456    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6734   -4.6760    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  5  1  0  0  0  0
  1  6  1  0  0  0  0
  2 14  1  0  0  0  0
  2 17  1  0  0  0  0
  5 24  1  0  0  0  0
  5 25  1  0  0  0  0
  6  8  2  0  0  0  0
  6  9  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 18  1  0  0  0  0
  9 11  2  0  0  0  0
  9 19  1  0  0  0  0
 10 20  1  0  0  0  0
 11 21  1  0  0  0  0
 12 13  2  0  0  0  0
 12 22  1  0  0  0  0
 13 14  1  0  0  0  0
 13 23  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 15 26  1  0  0  0  0
 16 17  2  0  0  0  0
 16 27  1  0  0  0  0
 17 28  1  0  0  0  0
M  END

$$$$
D02VYI
  -OEChem-10101305022D

 48 48  0     1  0  0  0  0  0999 V2000
    6.3301   -0.6651    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942    0.3349    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.4282    0.7010    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    9.4282   -1.0311    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -0.1651    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.1651    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8301    0.2010    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8301   -1.5311    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -0.6651    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.8301    1.9330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.1651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    1.0670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.6651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.3301    2.7990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.6651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282   -0.1651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -2.1651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  5  1  0  0  0  0
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  2 17  1  0  0  0  0
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 10 12  1  0  0  0  0
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 12 32  1  0  0  0  0
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 13 30  1  0  0  0  0
 13 31  1  0  0  0  0
 14 18  2  0  0  0  0
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 15 21  1  0  0  0  0
 15 35  1  0  0  0  0
 15 36  1  0  0  0  0
 16 20  1  0  0  0  0
 16 34  1  0  0  0  0
 16 37  1  0  0  0  0
 18 22  1  0  0  0  0
 18 38  1  0  0  0  0
 19 23  2  0  0  0  0
 19 39  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 40  1  0  0  0  0
 21 44  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 24  1  0  0  0  0
 23 47  1  0  0  0  0
 24 48  1  0  0  0  0
M  END

$$$$
D02VZI
  -OEChem-10191522182D

 38 37  0     1  0  0  0  0  0999 V2000
    8.5991   -3.3450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651   -1.8450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    2.1550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    3.6550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -0.3450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    1.1550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    2.6550    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    1.1550    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -2.3450    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    2.6550    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    7.4040    2.3450    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8660   -0.6550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 18  1  0  0  0  0
  1 36  1  0  0  0  0
  2 18  2  0  0  0  0
  3 19  1  0  0  0  0
  3 37  1  0  0  0  0
  4 19  2  0  0  0  0
  5 20  1  0  0  0  0
  5 38  1  0  0  0  0
  6 20  2  0  0  0  0
 15  7  1  1  0  0  0
  7 17  1  0  0  0  0
  7 31  1  0  0  0  0
  8 14  1  0  0  0  0
  8 17  2  0  0  0  0
 13  9  1  1  0  0  0
  9 32  1  0  0  0  0
  9 33  1  0  0  0  0
 10 17  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 13  1  0  0  0  0
 11 21  1  0  0  0  0
 11 22  1  0  0  0  0
 12 14  1  0  0  0  0
 12 23  1  0  0  0  0
 12 24  1  0  0  0  0
 13 18  1  0  0  0  0
 13 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
 15 19  1  0  0  0  0
 15 28  1  0  0  0  0
 16 20  1  0  0  0  0
 16 29  1  0  0  0  0
 16 30  1  0  0  0  0
M  END

$$$$
D02WBC
  -OEChem-10101305022D

 33 34  0     1  0  0  0  0  0999 V2000
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 16 33  1  0  0  0  0
M  END

$$$$
D02WBU
  -OEChem-10101305022D

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M  END

$$$$
D02WBY
  -OEChem-10191522162D

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 37 76  1  0  0  0  0
M  END

$$$$
D02WCJ
  -OEChem-04152110202D

122123  0     1  0  0  0  0  0999 V2000
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M  END

$$$$
D02WFA
  -OEChem-10191522432D

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 19 55  1  0  0  0  0
M  END

$$$$
D02WGD
  -OEChem-02061503562D

 41 46  0     0  0  0  0  0  0999 V2000
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    5.0959   -3.2343    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    6.2598    1.7814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9918    1.7814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1258    2.2814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9278   -0.7934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4278   -1.6595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4391   -1.7625    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
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 10 19  2  0  0  0  0
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 17 32  1  0  0  0  0
 18 31  1  0  0  0  0
 19 24  1  0  0  0  0
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 22 37  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 27  2  0  0  0  0
 25 40  1  0  0  0  0
 26 27  1  0  0  0  0
 27 41  1  0  0  0  0
M  END

$$$$
D02WIL
  -OEChem-10191522092D

 39 43  0     1  0  0  0  0  0999 V2000
    2.6638   -0.7472    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    5.9989   -2.9143    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6051   -3.7190    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.5836    0.4481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.3798    3.2943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 20 22  2  0  0  0  0
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 21 37  1  0  0  0  0
 23 38  1  0  0  0  0
 23 39  1  0  0  0  0
M  END

$$$$
D02WJT
  -OEChem-10191521282D

 35 36  0     0  0  0  0  0  0999 V2000
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 11 22  1  0  0  0  0
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 17 18  2  0  0  0  0
 17 32  1  0  0  0  0
 18 33  1  0  0  0  0
M  END

$$$$
D02WKB
  -OEChem-04152110332D

 69 74  0     0  0  0  0  0  0999 V2000
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 36 68  1  0  0  0  0
 37 69  1  0  0  0  0
M  CHG  1   6   1
M  END

$$$$
D02WKZ
  -OEChem-04152110212D

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 90197  1  0  0  0  0
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 91200  1  0  0  0  0
 91201  1  0  0  0  0
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 95205  1  0  0  0  0
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 95207  1  0  0  0  0
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 96105  1  0  0  0  0
 96208  1  0  0  0  0
 97211  1  0  0  0  0
 97212  1  0  0  0  0
 98104  1  0  0  0  0
 98213  1  0  0  0  0
 98214  1  0  0  0  0
100102  1  0  0  0  0
100103  1  0  0  0  0
100215  1  0  0  0  0
102109  1  0  0  0  0
102217  1  0  0  0  0
104110  1  0  0  0  0
104220  1  0  0  0  0
104221  1  0  0  0  0
106107  1  0  0  0  0
106108  1  0  0  0  0
106223  1  0  0  0  0
108111  1  0  0  0  0
108225  1  0  0  0  0
108226  1  0  0  0  0
109229  1  0  0  0  0
109230  1  0  0  0  0
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111113  2  0  0  0  0
111114  1  0  0  0  0
112115  1  0  0  0  0
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113239  1  0  0  0  0
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115244  1  0  0  0  0
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117246  1  0  0  0  0
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119120  1  0  0  0  0
120249  1  0  0  0  0
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121122  1  0  0  0  0
121123  1  0  0  0  0
121252  1  0  0  0  0
123124  1  0  0  0  0
123253  1  0  0  0  0
123254  1  0  0  0  0
124125  2  0  0  0  0
124126  1  0  0  0  0
125127  1  0  0  0  0
125257  1  0  0  0  0
126128  2  0  0  0  0
126258  1  0  0  0  0
127129  2  0  0  0  0
127259  1  0  0  0  0
128129  1  0  0  0  0
128260  1  0  0  0  0
129261  1  0  0  0  0
M  END

$$$$
D02WOQ
  -OEChem-10101305032D

 32 34  0     1  0  0  0  0  0999 V2000
    9.8602    0.7742    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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    6.3301   -2.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.2500    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    4.5981    0.7500    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
    7.1962   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    0.2500    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
    3.7320    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0901   -1.2847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8660    1.7500    0.0000 C   0  0  0  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
    2.8660    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9962   -0.7708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9962    0.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1 18  1  0  0  0  0
  2  4  1  0  0  0  0
  2  9  1  0  0  0  0
  3  7  2  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  6  0  0  0
  4 20  1  0  0  0  0
  5  7  1  0  0  0  0
  5 21  1  0  0  0  0
  5 22  1  0  0  0  0
  6 10  2  0  0  0  0
  6 11  1  0  0  0  0
  7  8  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 15  1  0  0  0  0
 10 23  1  0  0  0  0
 11 16  2  0  0  0  0
 11 24  1  0  0  0  0
 12 17  2  0  0  0  0
 12 25  1  0  0  0  0
 13 18  2  0  0  0  0
 13 26  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 14 19  1  0  0  0  0
 15 27  1  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
 19 30  1  0  0  0  0
 19 31  1  0  0  0  0
 19 32  1  0  0  0  0
M  END

$$$$
D02WOX
  -OEChem-10101305022D

201207  0     1  0  0  0  0  0999 V2000
    8.2137    5.1353    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.2774    4.7840    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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   15.9536   -2.2742    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   10.8721   -6.7138    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.1106    1.2222    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.4521    4.3042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   11.4476    6.0993    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   15.2699    0.0087    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   14.3528    2.8313    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   17.0127   -2.9531    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1178    4.7840    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   16.3063   -7.9915    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.9261    8.5252    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   18.3167   -4.2267    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3468   -7.5001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.3383    7.7162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.1815    5.1353    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.9684   -6.8915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.4823   -5.2129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.6659    3.6131    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.3394   -8.0342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.6441   -9.0916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.9279   -7.3829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4190    4.2711    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.6710   -3.6224    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   12.2330   -5.6946    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.7010   -0.5930    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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 91102  1  0  0  0  0
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 91175  1  0  0  0  0
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 92176  1  0  0  0  0
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 98101  2  0  0  0  0
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103194  1  0  0  0  0
104198  1  0  0  0  0
104199  1  0  0  0  0
M  END

$$$$
D02WQR
          11110900062D 1   1.00000     0.00000     0

 26 28  0     0  0            999 V2000
    5.6410   -2.5486    0.0000 C   0  0  0  0  0  0           0  0  0
    5.0676   -2.9644    0.0000 N   0  0  3  0  0  0           0  0  0
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    4.4941   -2.5486    0.0000 C   0  0  0  0  0  0           0  0  0
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    3.2637   -0.4284    0.0000 Cl  0  0  0  0  0  0           0  0  0
  7 13  1  0     0  0
  6  7  2  0     0  0
 13 14  3  0     0  0
  1  3  2  0     0  0
 10 15  1  0     0  0
  7  8  1  0     0  0
 15 16  1  0     0  0
 16  5  1  0     0  0
  2  1  1  0     0  0
 16 17  1  0     0  0
  8  9  2  0     0  0
  2 18  1  0     0  0
  3  4  1  0     0  0
 15 19  1  0     0  0
  9 10  1  0     0  0
 19 20  1  0     0  0
  5  2  1  0     0  0
 20 21  2  0     0  0
 10 11  2  0     0  0
 21 22  1  0     0  0
 11  6  1  0     0  0
 22 23  2  0     0  0
  4  5  2  0     0  0
 23 24  1  0     0  0
  6 12  1  0     0  0
 24 25  2  0     0  0
 25 20  1  0     0  0
 21 26  1  0     0  0
M  END

$$$$
D02WRU
  -OEChem-10191522352D

 41 44  0     0  0  0  0  0  0999 V2000
    4.5981    4.0341    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.5981    3.0341    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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    2.3660    0.9002    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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    7.6530   -3.5727    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.5341    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4103    1.8389    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.0341    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4103    0.2294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.5341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.5981    2.0341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.9939    1.0341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.6139    1.0341    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1 19  1  0  0  0  0
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 16 22  2  0  0  0  0
 16 23  1  0  0  0  0
 17 18  1  0  0  0  0
 17 31  1  0  0  0  0
 18 24  1  0  0  0  0
 20 25  1  0  0  0  0
 20 32  1  0  0  0  0
 21 26  2  0  0  0  0
 21 33  1  0  0  0  0
 22 28  1  0  0  0  0
 22 34  1  0  0  0  0
 23 29  2  0  0  0  0
 23 35  1  0  0  0  0
 25 27  2  0  0  0  0
 25 36  1  0  0  0  0
 26 27  1  0  0  0  0
 26 37  1  0  0  0  0
 28 30  2  0  0  0  0
 28 38  1  0  0  0  0
 29 30  1  0  0  0  0
 29 39  1  0  0  0  0
 30 40  1  0  0  0  0
M  END

$$$$
D02WSA
  -OEChem-10101305022D

 29 31  0     0  0  0  0  0  0999 V2000
    7.2125   -1.6067    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.5721    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9942    1.4521    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.0721    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.4279    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.0721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.9279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.5721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.5721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2241   -0.6067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.9279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2241    1.4626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.0611    1.2379    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    8.6659   -0.4050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.5479    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -1.8821    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    8.9918    2.0721    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
  1 28  1  0  0  0  0
  2  8  2  0  0  0  0
  3 14  1  0  0  0  0
  3 29  1  0  0  0  0
  4  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 11  1  0  0  0  0
  5  7  1  0  0  0  0
  5 11  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 12  1  0  0  0  0
  9 15  2  0  0  0  0
  9 16  1  0  0  0  0
 10 13  2  0  0  0  0
 11 20  1  0  0  0  0
 12 14  2  0  0  0  0
 12 21  1  0  0  0  0
 13 14  1  0  0  0  0
 13 22  1  0  0  0  0
 15 17  1  0  0  0  0
 15 23  1  0  0  0  0
 16 18  2  0  0  0  0
 16 24  1  0  0  0  0
 17 19  2  0  0  0  0
 17 25  1  0  0  0  0
 18 19  1  0  0  0  0
 18 26  1  0  0  0  0
 19 27  1  0  0  0  0
M  END

$$$$
D02WTN
  -OEChem-10101305022D

 46 48  0     0  0  0  0  0  0999 V2000
    7.1962    0.5000    0.0000 O   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
    4.5981   -1.0000    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
    7.1962    2.5000    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    3.5000    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
    8.0622    4.0000    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   -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
    7.1962   -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
    7.1962   -3.5000    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
    2.8660   -2.0000    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
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    8.9282   -2.5000    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
    2.8660   -4.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282   -3.5000    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
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  1  8  2  0  0  0  0
  2  8  1  0  0  0  0
  2  9  1  0  0  0  0
  2 35  1  0  0  0  0
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 10 32  1  0  0  0  0
 10 33  1  0  0  0  0
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 16 20  1  0  0  0  0
 16 37  1  0  0  0  0
 17 21  2  0  0  0  0
 17 38  1  0  0  0  0
 18 22  1  0  0  0  0
 18 39  1  0  0  0  0
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 19 40  1  0  0  0  0
 20 24  2  0  0  0  0
 20 41  1  0  0  0  0
 21 24  1  0  0  0  0
 21 42  1  0  0  0  0
 22 25  2  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
 24 45  1  0  0  0  0
 25 46  1  0  0  0  0
M  END

$$$$
D02WUU
  -OEChem-10101305022D

 33 34  0     0  0  0  0  0  0999 V2000
    3.7320    1.2500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.7320    1.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7320    1.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.2500    0.0000 C   0  0  0  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
    2.8660   -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
    4.5981    2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    2.7500    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
    3.7320   -1.7500    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
    2.0000   -2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.5981    3.7500    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    4.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  1  3  2  0  0  0  0
  1  5  1  0  0  0  0
  1  6  1  0  0  0  0
  4  7  2  0  0  0  0
  5  7  1  0  0  0  0
  5 20  1  0  0  0  0
  5 21  1  0  0  0  0
  6  9  2  0  0  0  0
  6 10  1  0  0  0  0
  7  8  1  0  0  0  0
  8 11  2  0  0  0  0
  8 12  1  0  0  0  0
  9 16  1  0  0  0  0
  9 22  1  0  0  0  0
 10 17  2  0  0  0  0
 10 23  1  0  0  0  0
 11 14  1  0  0  0  0
 11 24  1  0  0  0  0
 12 15  2  0  0  0  0
 12 25  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 13 19  1  0  0  0  0
 14 26  1  0  0  0  0
 15 27  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
 19 31  1  0  0  0  0
 19 32  1  0  0  0  0
 19 33  1  0  0  0  0
M  END

$$$$
D02WUY
  -OEChem-10191521192D

 73 74  0     1  0  0  0  0  0999 V2000
   13.2583    8.0000    0.0000 I  -2  0  0  0  0  0  0  0  0  0  0  0
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M  ISO  1   1 125
M  END

$$$$
D02WUZ
  -OEChem-10101305022D

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 23 29  1  0  0  0  0
 24 27  1  0  0  0  0
 24 30  1  0  0  0  0
 24 62  1  0  0  0  0
 25 31  1  0  0  0  0
 25 63  1  0  0  0  0
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 26 64  1  0  0  0  0
 27 33  1  0  0  0  0
 27 65  1  0  0  0  0
 27 66  1  0  0  0  0
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 29 36  2  0  0  0  0
 29 68  1  0  0  0  0
 31 34  2  0  0  0  0
 31 69  1  0  0  0  0
 32 34  1  0  0  0  0
 32 70  1  0  0  0  0
 33 38  2  0  0  0  0
 33 39  1  0  0  0  0
 35 37  2  0  0  0  0
 35 71  1  0  0  0  0
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 36 72  1  0  0  0  0
 37 73  1  0  0  0  0
 38 40  1  0  0  0  0
 38 74  1  0  0  0  0
 39 41  2  0  0  0  0
 39 75  1  0  0  0  0
 40 43  2  0  0  0  0
 40 76  1  0  0  0  0
 41 43  1  0  0  0  0
 41 77  1  0  0  0  0
 42 44  1  0  0  0  0
 42 78  1  0  0  0  0
 42 79  1  0  0  0  0
 43 81  1  0  0  0  0
 44 82  1  0  0  0  0
 44 83  1  0  0  0  0
 44 84  1  0  0  0  0
M  END

$$$$
D02WWM
  -OEChem-10191522222D

 55 55  0     1  0  0  0  0  0999 V2000
    8.0622    6.2500    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    6.3301    6.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.2500    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    7.1962    5.7500    0.0000 N   0  3  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
    4.5981   -2.7500    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
    3.7320   -3.2500    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
    3.7320   -4.2500    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
    6.3301    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -4.7500    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
    2.8660   -5.7500    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
    7.1962    2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -6.2500    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
    6.3301    3.2500    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
    6.3301    4.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    4.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3860   -1.1674    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9875   -1.8577    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8101   -3.3326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2087   -2.6423    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2520    0.3326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8535   -0.3577    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5200   -2.6674    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1215   -3.3577    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5422   -0.3326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9407    0.3577    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9441   -4.8326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3426   -4.1423    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9407   -1.8577    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5422   -1.1674    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1181    1.8326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7196    1.1423    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6540   -4.1674    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2554   -4.8577    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4082    1.1674    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8067    1.8577    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0781   -6.3326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4766   -5.6423    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    5.7932    2.9400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991    4.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7932    4.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  2  4  2  0  0  0  0
  3  5  1  0  0  0  0
  3  7  1  0  0  0  0
  3 11  1  0  0  0  0
  4 23  1  0  0  0  0
  5  6  1  0  0  0  0
  5 24  1  0  0  0  0
  5 25  1  0  0  0  0
  6  8  1  0  0  0  0
  6 26  1  0  0  0  0
  6 27  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 10  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 13  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 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 15  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
 16 46  1  0  0  0  0
 16 47  1  0  0  0  0
 16 48  1  0  0  0  0
 17 19  2  0  0  0  0
 17 20  1  0  0  0  0
 18 49  1  0  0  0  0
 18 50  1  0  0  0  0
 18 51  1  0  0  0  0
 19 21  1  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 23  2  0  0  0  0
 21 54  1  0  0  0  0
 22 23  1  0  0  0  0
 22 55  1  0  0  0  0
M  CHG  2   1  -1   4   1
M  END

$$$$
D02WYE
  -OEChem-10101305022D

 37 38  0     0  0  0  0  0  0999 V2000
    2.5369    0.5600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -2.9400    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    1.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    2.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    2.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    3.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    3.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    3.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    0.0600    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
    5.1350   -0.9400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -0.9400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -1.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -1.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -2.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8059    1.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7924    2.1677    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1909    1.4774    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3471    1.4774    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7456    2.1677    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1909    3.6426    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7924    2.9523    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7456    2.9523    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3471    3.6426    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6675    4.0350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8705    4.0350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6720    0.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6116   -1.5477    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2131   -0.8574    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -2.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3905   -2.3323    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7890   -3.0226    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -3.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4040   -2.6300    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 16  1  0  0  0  0
  2 36  1  0  0  0  0
  2 37  1  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
  3 17  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  7  1  0  0  0  0
  5 18  1  0  0  0  0
  5 19  1  0  0  0  0
  6  8  1  0  0  0  0
  6 24  1  0  0  0  0
  6 25  1  0  0  0  0
  7  8  1  0  0  0  0
  7 22  1  0  0  0  0
  7 23  1  0  0  0  0
  8 26  1  0  0  0  0
  8 27  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  2  0  0  0  0
 10 12  2  0  0  0  0
 10 28  1  0  0  0  0
 11 13  1  0  0  0  0
 12 14  1  0  0  0  0
 12 15  1  0  0  0  0
 13 15  2  0  0  0  0
 13 29  1  0  0  0  0
 14 16  1  0  0  0  0
 14 30  1  0  0  0  0
 14 31  1  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
M  END

$$$$
D02WZA
  -OEChem-10101305022D

 26 28  0     0  0  0  0  0  0999 V2000
    6.2619    0.2015    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783    1.0062    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.2619   -0.7985    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2619    1.2015    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2619    0.2015    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783   -0.6033    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.7619   -0.6645    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.7619   -0.6645    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2619    0.2015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.7015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.2985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2619    0.2015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.2015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.7985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7619    1.0675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.7015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.2985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7619    1.0675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2619    0.2015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.8215    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.4185    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4519    1.6044    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    1.0115    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -0.6085    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0719    1.6044    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0719   -1.2015    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 12  1  0  0  0  0
  2  9  1  0  0  0  0
  2 10  1  0  0  0  0
  5 19  2  0  0  0  0
  6  9  2  0  0  0  0
  6 11  1  0  0  0  0
  7  8  1  0  0  0  0
  7 12  2  0  0  0  0
  8 19  1  0  0  0  0
  8 26  1  0  0  0  0
 10 11  1  0  0  0  0
 10 13  2  0  0  0  0
 11 14  2  0  0  0  0
 12 15  1  0  0  0  0
 13 16  1  0  0  0  0
 13 20  1  0  0  0  0
 14 17  1  0  0  0  0
 14 21  1  0  0  0  0
 15 18  2  0  0  0  0
 15 22  1  0  0  0  0
 16 17  2  0  0  0  0
 16 23  1  0  0  0  0
 17 24  1  0  0  0  0
 18 19  1  0  0  0  0
 18 25  1  0  0  0  0
M  END

$$$$
D02WZK
  -OEChem-10101305022D

 49 51  0     0  0  0  0  0  0999 V2000
    6.3301    0.7694    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.7306    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6750   -5.8184    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0570   -5.8184    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.2306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.2306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.7306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.7306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.7306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.2694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -4.2306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    1.7694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -5.2306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    3.7694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    2.2694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 25 48  1  0  0  0  0
 26 49  1  0  0  0  0
M  END

$$$$
D02XAX
  -OEChem-10191522222D

 51 54  0     1  0  0  0  0  0999 V2000
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 25 50  1  0  0  0  0
M  END

$$$$
D02XEX
  -OEChem-10101305022D

 85 89  0     1  0  0  0  0  0999 V2000
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    2.3079   -2.4877    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
 23  1  1  6  0  0  0
  1 36  1  0  0  0  0
  2 20  2  0  0  0  0
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 10 15  1  0  0  0  0
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 10 39  1  6  0  0  0
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 13 26  2  0  0  0  0
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 16 45  1  0  0  0  0
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 17 23  1  0  0  0  0
 17 32  1  6  0  0  0
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 18 27  1  0  0  0  0
 18 47  1  0  0  0  0
 18 48  1  0  0  0  0
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 20 26  1  0  0  0  0
 21 51  1  0  0  0  0
 21 52  1  0  0  0  0
 21 53  1  0  0  0  0
 22 29  1  0  0  0  0
 22 34  1  1  0  0  0
 22 54  1  0  0  0  0
 23 27  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
 24 58  1  0  0  0  0
 25 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
 27 63  1  0  0  0  0
 27 64  1  0  0  0  0
 28 30  1  0  0  0  0
 28 65  1  0  0  0  0
 28 66  1  0  0  0  0
 29 30  1  0  0  0  0
 29 35  1  6  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 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
 32 74  1  0  0  0  0
 32 75  1  0  0  0  0
 34 76  1  0  0  0  0
 34 77  1  0  0  0  0
 34 78  1  0  0  0  0
 35 79  1  0  0  0  0
 35 80  1  0  0  0  0
 35 81  1  0  0  0  0
 36 37  1  0  0  0  0
 37 83  1  0  0  0  0
 37 84  1  0  0  0  0
 37 85  1  0  0  0  0
M  END

$$$$
D02XFR
  -OEChem-10101305032D

 25 26  0     0  0  0  0  0  0999 V2000
    2.0000   -3.4239    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.7891    1.6639    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.0761    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.0761    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4071    1.6639    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.4239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.4239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.0761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0981    2.6149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.9239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.0981    2.6149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.9239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7320   -3.4239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6859    3.4239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -0.2339    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -1.6139    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7336    3.1165    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -3.2339    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1874    3.0595    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0503    3.9255    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7320   -4.0439    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  1  0  0  0  0
  2  8  1  0  0  0  0
  2 12  1  0  0  0  0
  3  7  2  0  0  0  0
  4  7  1  0  0  0  0
  4  8  1  0  0  0  0
  4 17  1  0  0  0  0
  5  8  2  0  0  0  0
  5  9  1  0  0  0  0
  6  7  1  0  0  0  0
  6 10  2  0  0  0  0
  6 11  1  0  0  0  0
  9 12  2  0  0  0  0
  9 16  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
 13 15  2  0  0  0  0
 14 15  1  0  0  0  0
 14 21  1  0  0  0  0
 15 25  1  0  0  0  0
 16 22  1  0  0  0  0
 16 23  1  0  0  0  0
 16 24  1  0  0  0  0
M  END

$$$$
D02XGS
  -OEChem-10101305022D

 46 47  0     0  0  0  0  0  0999 V2000
    7.1962    3.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    4.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    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
    2.8660   -3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -5.0000    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   -6.0000    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
    5.4641    0.0000    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
    5.4641    1.0000    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
    5.4641    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    4.5000    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
    6.3301    5.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.0622    5.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.7880   -4.4174    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3894   -5.1077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    1.3800   -6.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.6200   -6.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    3.1951    1.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    8.5991    5.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 20  1  0  0  0  0
  2 10  1  0  0  0  0
  2 12  1  0  0  0  0
  3 18  1  0  0  0  0
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  6 25  1  0  0  0  0
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  7  9  1  0  0  0  0
  7 27  1  0  0  0  0
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  8 10  1  0  0  0  0
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  8 30  1  0  0  0  0
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  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 35  1  0  0  0  0
 11 36  1  0  0  0  0
 11 37  1  0  0  0  0
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 13 38  1  0  0  0  0
 14 17  2  0  0  0  0
 14 39  1  0  0  0  0
 15 16  2  0  0  0  0
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 16 40  1  0  0  0  0
 17 41  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
 21 23  1  0  0  0  0
 21 43  1  0  0  0  0
 22 24  1  0  0  0  0
 22 44  1  0  0  0  0
 23 24  2  0  0  0  0
 23 45  1  0  0  0  0
 24 46  1  0  0  0  0
M  END

$$$$
D02XHC
  -OEChem-10191521382D

 37 39  0     0  0  0  0  0  0999 V2000
    9.2619   -1.4002    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783   -2.2049    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.4002    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.4002    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783   -0.5954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9889    0.3551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2619   -1.4002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.9002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3211    1.0994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.9002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6318    2.0499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2619   -1.4002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0000   -0.9002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.2619   -1.4002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1 20  2  0  0  0  0
  2  7  1  0  0  0  0
  2 10  1  0  0  0  0
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  3 28  1  0  0  0  0
  4 10  2  0  0  0  0
  4 17  1  0  0  0  0
  5  6  1  0  0  0  0
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  6  9  1  0  0  0  0
  6 21  1  0  0  0  0
  6 22  1  0  0  0  0
  7 12  2  0  0  0  0
  8 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 23  1  0  0  0  0
  9 24  1  0  0  0  0
 11 13  1  0  0  0  0
 11 26  1  0  0  0  0
 11 27  1  0  0  0  0
 12 14  1  0  0  0  0
 12 15  1  0  0  0  0
 13 29  1  0  0  0  0
 13 30  1  0  0  0  0
 13 31  1  0  0  0  0
 14 18  2  0  0  0  0
 14 33  1  0  0  0  0
 15 19  2  0  0  0  0
 15 32  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 20  1  0  0  0  0
 18 37  1  0  0  0  0
 19 20  1  0  0  0  0
 19 36  1  0  0  0  0
M  END

$$$$
D02XHH
  -OEChem-10101305032D

 27 29  0     0  0  0  0  0  0999 V2000
    2.0000   -2.4894    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    5.3967    1.9879    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  1 13  1  0  0  0  0
  2 12  1  0  0  0  0
  2 16  1  0  0  0  0
  2 25  1  0  0  0  0
  3 15  1  0  0  0  0
  3 16  2  0  0  0  0
  4  5  1  0  0  0  0
  4  6  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 19  1  0  0  0  0
  5 20  1  0  0  0  0
  6  8  1  0  0  0  0
  6  9  2  0  0  0  0
  7  8  2  0  0  0  0
  7 10  1  0  0  0  0
  8 11  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 14  2  0  0  0  0
 11 23  1  0  0  0  0
 12 15  2  0  0  0  0
 13 14  1  0  0  0  0
 14 24  1  0  0  0  0
 15 26  1  0  0  0  0
 16 27  1  0  0  0  0
M  END

$$$$
D02XHM
  -OEChem-10101305022D

 72 75  0     1  0  0  0  0  0999 V2000
    8.1962   -1.4887    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660   -1.4646    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660    1.5354    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.7243   -1.0254    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
   13.3923   -1.5087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2602   -1.0121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5282   -1.0054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1243   -1.5154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6602   -1.5021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9923   -1.0188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7961   -0.9987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8563   -1.5221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   18.5884   -1.5288    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   17.7282   -0.0254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   21.1884   -1.0388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.3281    0.4645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   21.1922   -0.0388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.3995   -0.5222    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.4560   -1.9955    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.2530   -1.9986    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5278   -1.9688    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3249   -1.9719    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.1880   -2.0022    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.9851   -2.0053    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   18.3481   -0.0278    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   20.3180   -2.1554    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  7 40  1  0  0  0  0
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 10 12  1  0  0  0  0
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 13 15  1  0  0  0  0
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 15 56  1  0  0  0  0
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 16 58  1  0  0  0  0
 16 59  1  0  0  0  0
 16 60  1  0  0  0  0
 17 19  2  0  0  0  0
 17 20  1  0  0  0  0
 18 22  2  0  0  0  0
 18 24  1  0  0  0  0
 19 26  1  0  0  0  0
 19 61  1  0  0  0  0
 20 27  2  0  0  0  0
 20 62  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  2  0  0  0  0
 22 63  1  0  0  0  0
 23 25  1  0  0  0  0
 23 28  1  0  0  0  0
 24 25  2  0  0  0  0
 24 64  1  0  0  0  0
 25 65  1  0  0  0  0
 26 31  2  0  0  0  0
 26 66  1  0  0  0  0
 27 31  1  0  0  0  0
 27 67  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 29 32  2  0  0  0  0
 30 33  2  0  0  0  0
 31 68  1  0  0  0  0
 32 34  1  0  0  0  0
 32 69  1  0  0  0  0
 33 35  1  0  0  0  0
 33 70  1  0  0  0  0
 34 35  2  0  0  0  0
 34 71  1  0  0  0  0
 35 72  1  0  0  0  0
M  END

$$$$
D02XIF
  -OEChem-10101305032D

 28 28  0     0  0  0  0  0  0999 V2000
    3.7320    0.8100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    8.0622   -0.6900    0.0000 N   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
    6.3301   -0.6900    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
    7.1962   -0.1900    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
    8.9282   -0.1900    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
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  1  3  1  0  0  0  0
  1 28  1  0  0  0  0
  2 14  2  0  0  0  0
  3  7  1  0  0  0  0
  3 14  1  0  0  0  0
  4  8  1  0  0  0  0
  4 10  2  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 15  1  0  0  0  0
  5 16  1  0  0  0  0
  6  8  1  0  0  0  0
  6 17  1  0  0  0  0
  6 18  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
  9 11  1  0  0  0  0
  9 21  1  0  0  0  0
 10 12  1  0  0  0  0
 10 13  1  0  0  0  0
 11 12  2  0  0  0  0
 11 22  1  0  0  0  0
 12 23  1  0  0  0  0
 13 24  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
M  END

$$$$
D02XJW
  -OEChem-10101305022D

 18 18  0     0  0  0  0  0  0999 V2000
    4.5032   -0.3317    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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    6.4712   -1.0311    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3122    0.2561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6942    0.2561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0032    1.2072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2633   -0.0529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.6162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.0609   -1.2227    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
  2  7  1  0  0  0  0
  2 10  1  0  0  0  0
  3  9  1  0  0  0  0
  3 16  1  0  0  0  0
  3 17  1  0  0  0  0
  4  9  2  0  0  0  0
  4 18  1  0  0  0  0
  5  6  2  0  0  0  0
  5  9  1  0  0  0  0
  6  8  1  0  0  0  0
  6 11  1  0  0  0  0
  7  8  2  0  0  0  0
  8 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
M  END

$$$$
D02XKD
  -OEChem-10101305022D

 38 39  0     0  0  0  0  0  0999 V2000
    6.3301   -1.3100    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.3100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.3100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    0.1900    0.0000 O   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
    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
    4.5981   -1.3100    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    0.1900    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   -0.8100    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
    6.3301    0.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    2.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    0.6900    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
    8.0622    1.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.8100    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
    9.7942    0.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951    0.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    0.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0611    2.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    2.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7932    0.3800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    2.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    8.5991    2.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   -0.2731    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -0.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -1.3469    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4220   -2.2731    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951   -3.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0420   -3.3469    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1042    0.1531    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3312    1.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4842    1.2269    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 19  1  0  0  0  0
  3  8  1  0  0  0  0
  3 20  1  0  0  0  0
  4 16  1  0  0  0  0
  4 21  1  0  0  0  0
  5  6  2  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6  7  1  0  0  0  0
  6 22  1  0  0  0  0
  7  8  2  0  0  0  0
  8 12  1  0  0  0  0
  9 13  1  0  0  0  0
  9 14  2  0  0  0  0
  9 15  1  0  0  0  0
 10 12  2  0  0  0  0
 10 23  1  0  0  0  0
 11 13  2  0  0  0  0
 11 24  1  0  0  0  0
 13 25  1  0  0  0  0
 14 17  1  0  0  0  0
 14 26  1  0  0  0  0
 15 18  2  0  0  0  0
 15 27  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 17 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
 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
 21 37  1  0  0  0  0
 21 38  1  0  0  0  0
M  END

$$$$
D02XKE
  -OEChem-10191521302D

 65 64  0     1  0  0  0  0  0999 V2000
    6.0010   -2.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -3.7500    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
    2.5369   -2.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.3933    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3312   -2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1972   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5273    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3933    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0632   -2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5273   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.2594    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991   -2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9292   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6613   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.2594    3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7953   -2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6613   -2.2500    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
   18.1254    3.7500    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
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    4.2690   -2.2500    0.0000 C   0  0  3  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
   16.6054    0.1674    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.0039    0.8577    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9326   -3.2250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7297   -3.2250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5957   -1.7750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7987   -1.7750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.3153    0.8326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.9167    0.1423    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.1813    2.3326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.7828    1.6423    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8637   -1.7750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0666   -1.7750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.6647   -3.2250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.4617   -3.2250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.7394   -1.3326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.1379   -0.6423    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.4714    1.6674    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.8699    2.3577    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2006   -3.2250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9976   -3.2250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.3278   -1.7750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.5307   -1.7750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.4492   -0.6674    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.0507   -1.3577    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.0473    3.8326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.6488    3.1423    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1316   -1.7750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3346   -1.7750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.7953   -3.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.1982   -2.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.4354    3.2131    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.6623    4.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.8154    4.2869    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7365   -3.2250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0000   -2.5600    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 22  2  0  0  0  0
  3 24  1  0  0  0  0
  3 64  1  0  0  0  0
  4 25  1  0  0  0  0
  4 65  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
  5 27  1  0  0  0  0
  6  7  1  0  0  0  0
  6 10  1  0  0  0  0
  6 28  1  0  0  0  0
  6 29  1  0  0  0  0
  7 11  1  0  0  0  0
  7 30  1  0  0  0  0
  7 31  1  0  0  0  0
  8 12  1  0  0  0  0
  8 32  1  0  0  0  0
  8 33  1  0  0  0  0
  9 13  1  0  0  0  0
  9 34  1  0  0  0  0
  9 35  1  0  0  0  0
 10 14  1  0  0  0  0
 10 36  1  0  0  0  0
 10 37  1  0  0  0  0
 11 15  1  0  0  0  0
 11 38  1  0  0  0  0
 11 39  1  0  0  0  0
 12 16  1  0  0  0  0
 12 40  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 20  1  0  0  0  0
 14 44  1  0  0  0  0
 14 45  1  0  0  0  0
 15 18  1  0  0  0  0
 15 46  1  0  0  0  0
 15 47  1  0  0  0  0
 16 19  1  0  0  0  0
 16 48  1  0  0  0  0
 16 49  1  0  0  0  0
 17 21  1  0  0  0  0
 17 50  1  0  0  0  0
 17 51  1  0  0  0  0
 18 19  2  0  0  0  0
 18 54  1  0  0  0  0
 19 55  1  0  0  0  0
 20 22  1  0  0  0  0
 20 52  1  0  0  0  0
 20 53  1  0  0  0  0
 21 56  1  0  0  0  0
 21 57  1  0  0  0  0
 21 58  1  0  0  0  0
 23 24  1  0  0  0  0
 23 59  1  0  0  0  0
 23 60  1  0  0  0  0
 24 25  1  0  0  0  0
 24 61  1  0  0  0  0
 25 62  1  0  0  0  0
 25 63  1  0  0  0  0
M  END

$$$$
D02XKJ
  -OEChem-10101305032D

 29 31  0     0  0  0  0  0  0999 V2000
    2.8660   -2.3282    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4103   -0.5234    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4103   -2.1329    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.8281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.8282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7210    0.4271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.3281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9939   -1.3282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.3282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.8282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.8281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6995    0.6333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0531    1.1714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0102    1.5838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3638    2.1219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3423    2.3282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.8282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.2919    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6139   -1.3282    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.9482    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951   -0.5181    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1136    0.1719    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4465    1.0436    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6168    1.7117    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9497    2.5834    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5349    2.9175    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   -1.2912    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -1.5182    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -2.3651    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
  1 17  1  0  0  0  0
  2  4  1  0  0  0  0
  2  6  1  0  0  0  0
  2  8  1  0  0  0  0
  3  5  1  0  0  0  0
  3  8  2  0  0  0  0
  4  5  2  0  0  0  0
  4  7  1  0  0  0  0
  5  9  1  0  0  0  0
  6 12  2  0  0  0  0
  6 13  1  0  0  0  0
  7 11  2  0  0  0  0
  7 18  1  0  0  0  0
  8 19  1  0  0  0  0
  9 10  2  0  0  0  0
  9 20  1  0  0  0  0
 10 11  1  0  0  0  0
 11 21  1  0  0  0  0
 12 14  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 16  2  0  0  0  0
 14 24  1  0  0  0  0
 15 16  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
 17 28  1  0  0  0  0
 17 29  1  0  0  0  0
M  END

$$$$
D02XLC
  -OEChem-10101305022D

 29 32  0     0  0  0  0  0  0999 V2000
    2.8930   -0.7045    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8930    2.8060    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6189   -0.1163    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6200    1.0507    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0158    0.0507    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8819    0.5507    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1498    0.5507    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2251   -0.9211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1498    1.5507    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8819    1.5507    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2138   -1.0241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0158    2.0507    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2036    0.2460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2036    1.8555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6043   -1.7498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.0190   -2.6987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0489   -2.8060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.0158    2.6707    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9884   -1.6784    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2676   -2.0202    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.0507    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0579    1.5138    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1 13  2  0  0  0  0
  2 14  2  0  0  0  0
  3  6  1  0  0  0  0
  3 11  1  0  0  0  0
  3 20  1  0  0  0  0
  4 13  1  0  0  0  0
  4 14  1  0  0  0  0
  4 24  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 11  1  0  0  0  0
  8 15  2  0  0  0  0
  9 12  1  0  0  0  0
  9 14  1  0  0  0  0
 10 12  2  0  0  0  0
 10 17  1  0  0  0  0
 11 16  2  0  0  0  0
 12 21  1  0  0  0  0
 15 18  1  0  0  0  0
 15 22  1  0  0  0  0
 16 19  1  0  0  0  0
 16 23  1  0  0  0  0
 17 25  1  0  0  0  0
 17 26  1  0  0  0  0
 17 27  1  0  0  0  0
 18 19  2  0  0  0  0
 18 28  1  0  0  0  0
 19 29  1  0  0  0  0
M  END

$$$$
D02XMQ
  -OEChem-10101305032D

 30 32  0     0  0  0  0  0  0999 V2000
    6.4144   -1.9377    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660    2.0969    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660   -1.9031    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4144    2.1315    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321    0.5969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321   -0.4031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000    0.5969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000   -0.4031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660    1.0969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660   -0.9031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4260    1.1316    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4260   -0.9378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3321    0.6177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3321   -0.4239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9061    1.1316    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9061   -0.9378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.4239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.6177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746   -2.4477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8678    0.9298    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  9  2  0  0  0  0
  3 10  2  0  0  0  0
  4 11  1  0  0  0  0
  4 26  1  0  0  0  0
  4 27  1  0  0  0  0
  5  6  1  0  0  0  0
  5  9  1  0  0  0  0
  5 11  2  0  0  0  0
  6 10  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 15  2  0  0  0  0
  8 10  1  0  0  0  0
  8 16  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 20  1  0  0  0  0
 14 21  1  0  0  0  0
 15 18  1  0  0  0  0
 15 23  1  0  0  0  0
 16 17  1  0  0  0  0
 16 22  1  0  0  0  0
 17 18  2  0  0  0  0
 17 24  1  0  0  0  0
 18 25  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
M  END

$$$$
D02XNT
          09141000512D 1   1.00000     0.00000     0

 35 36  0     0  0            999 V2000
    5.0714   -2.0495    0.0000 F   0  0  0  0  0  0           0  0  0
    5.7797   -2.0495    0.0000 F   0  0  0  0  0  0           0  0  0
    5.4255   -1.4375    0.0000 C   0  0  3  0  0  0           0  0  0
   -1.6722   -3.1120    0.0000 O   0  0  0  0  0  0           0  0  0
   -0.9639   -3.1120    0.0000 O   0  0  0  0  0  0           0  0  0
   -1.3181   -2.5000    0.0000 S   0  0  3  0  0  0           0  0  0
   -1.3167   -0.3750    0.0000 C   0  0  1  0  0  0           0  0  0
   -1.3167   -1.0833    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.7046   -1.4375    0.0000 C   0  0  2  0  0  0           0  0  0
   -0.0926   -1.0833    0.0000 C   0  0  2  0  0  0           0  0  0
   -0.0926   -0.3750    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.7046   -0.0208    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.9303   -0.0211    0.0000 N   0  0  3  0  0  0           0  0  0
    0.5210   -1.4372    0.0000 N   0  0  0  0  0  0           0  0  0
   -0.7046   -2.1458    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.9315   -2.1458    0.0000 C   0  0  3  0  0  0           0  0  0
   -2.5450   -2.5000    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.9315   -1.4375    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.9306    0.6872    0.0000 C   0  0  3  0  0  0           0  0  0
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   -1.3174    1.0417    0.0000 C   0  0  0  0  0  0           0  0  0
   -2.5442    1.0411    0.0000 C   0  0  0  0  0  0           0  0  0
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    3.5880   -1.0815    0.0000 C   0  0  0  0  0  0           0  0  0
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    3.5839   -0.3765    0.0000 C   0  0  0  0  0  0           0  0  0
    6.0390   -1.0833    0.0000 F   0  0  0  0  0  0           0  0  0
 16 18  1  0     0  0
  7 12  1  0     0  0
 13 19  1  0     0  0
  8  9  1  0     0  0
 13 20  1  0     0  0
  9 10  1  0     0  0
 19 21  1  0     0  0
 10 11  1  0     0  0
 19 22  1  0     0  0
 11 12  1  0     0  0
 14 23  1  0     0  0
  6  5  2  0     0  0
 23 24  1  0     0  0
  7 13  1  6     0  0
 23 25  2  0     0  0
  4  6  2  0     0  0
 24 26  1  0     0  0
 10 14  1  6     0  0
 26 27  1  0     0  0
 27 28  1  0     0  0
  9 15  1  6     0  0
 27 29  2  0     0  0
 15  6  1  0     0  0
 28 30  2  0     0  0
  3  2  1  0     0  0
 30 31  1  0     0  0
  6 16  1  0     0  0
 31 32  2  0     0  0
  1  3  1  0     0  0
 32 33  1  0     0  0
 16 17  1  0     0  0
 33 34  2  0     0  0
 34 28  1  0     0  0
 31  3  1  0     0  0
  7  8  1  0     0  0
  3 35  1  0     0  0
M  END

$$$$
D02XNU
  -OEChem-10101305022D

 32 32  0     1  0  0  0  0  0999 V2000
    3.4030   -0.7110    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -2.2110    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5010    1.6550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331   -1.2110    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5010    1.6550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -0.2110    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9030   -1.5770    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    2.5210    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9030    0.1550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -0.7110    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.1350    0.2890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -1.2110    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0010    0.7890    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.8671   -0.7110    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.8671    0.2890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -1.2110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5010    1.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -1.3310    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    8.2700   -0.9010    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0000   -0.5210    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2130   -2.1140    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  7  1  0  0  0  0
  1  9  2  0  0  0  0
  1 16  1  0  0  0  0
 12  2  1  6  0  0  0
  2 27  1  0  0  0  0
 13  3  1  6  0  0  0
  3 28  1  0  0  0  0
 14  4  1  1  0  0  0
  4 29  1  0  0  0  0
  5 17  1  0  0  0  0
  5 30  1  0  0  0  0
  6 31  1  0  0  0  0
  7 32  1  0  0  0  0
  8 17  2  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 10 16  1  1  0  0  0
 10 18  1  0  0  0  0
 11 13  1  0  0  0  0
 11 19  1  0  0  0  0
 11 20  1  0  0  0  0
 12 14  1  0  0  0  0
 12 21  1  0  0  0  0
 13 15  1  0  0  0  0
 13 17  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
 15 24  1  0  0  0  0
 16 25  1  0  0  0  0
 16 26  1  0  0  0  0
M  END

$$$$
D02XOP
  -OEChem-04152110172D

 26 26  0     1  0  0  0  0  0999 V2000
    2.8090    0.3784    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.8870   -1.9172    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9360   -1.6082    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7281   -0.6300    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.4712    0.0391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7770   -0.3210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5691    0.6571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4223   -0.2699    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0339   -0.9902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6180    0.9661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3090    1.9172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3090    1.9172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.9661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.9826    0.4208    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
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  2  3  2  0  0  0  0
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  8 19  1  0  0  0  0
  8 20  1  0  0  0  0
  9 21  1  0  0  0  0
  9 22  1  0  0  0  0
  9 23  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  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
M  END

$$$$
D02XPB
  -OEChem-10101305022D

 50 52  0     0  0  0  0  0  0999 V2000
    4.5981    3.0600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    2.0600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.4400    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -5.9400    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -5.9400    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.9400    0.0000 C   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
    4.5981    2.0600    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
    5.4641    0.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -2.4400    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
    5.4641    3.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.9400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -2.9400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    4.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -4.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -3.9400    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
    6.3301    5.0600    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
    5.4641   -5.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    6.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    6.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    6.5600    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
    3.9875   -0.8323    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3860   -1.5226    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951    0.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -1.1300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    0.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    1.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6762    2.9774    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0747    3.6677    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0611   -2.6300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -2.6300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0611   -4.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -4.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    4.7500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0611    4.7500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    6.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0611    6.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    7.1800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900    2.0969    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    1.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100    1.0231    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -6.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -5.6300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -6.5600    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 10  1  0  0  0  0
  2 27  1  0  0  0  0
  3  7  1  0  0  0  0
  3 12  1  0  0  0  0
  3 31  1  0  0  0  0
  4 23  1  0  0  0  0
  4 48  1  0  0  0  0
  4 49  1  0  0  0  0
  5 23  2  0  0  0  0
  5 50  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  2  0  0  0  0
  6 11  1  0  0  0  0
  7 28  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
  9 10  2  0  0  0  0
  9 13  1  0  0  0  0
 11 13  2  0  0  0  0
 11 32  1  0  0  0  0
 12 15  2  0  0  0  0
 12 16  1  0  0  0  0
 13 33  1  0  0  0  0
 14 17  1  0  0  0  0
 14 34  1  0  0  0  0
 14 35  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 21  2  0  0  0  0
 17 22  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 18 23  1  0  0  0  0
 19 38  1  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  2  0  0  0  0
 22 41  1  0  0  0  0
 24 26  2  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
 27 45  1  0  0  0  0
 27 46  1  0  0  0  0
 27 47  1  0  0  0  0
M  END

$$$$
D02XPR
  -OEChem-10101305032D

 26 27  0     1  0  0  0  0  0999 V2000
    6.6353   -0.5184    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2566   -2.4194    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783   -0.1060    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783    1.5035    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.3012    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.1988    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    2.6988    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9889   -1.0565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9674   -1.2627    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.7320    0.1988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.1988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2781   -2.2132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2619    0.6988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.6988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.1988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3751   -1.1438    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9684   -1.6761    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7748   -0.6734    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6643   -2.3006    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2575   -2.8329    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8819    0.6988    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2420   -0.6463    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -0.1112    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4492   -3.0088    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291    3.0088    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    3.0088    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  9  1  1  6  0  0  0
  1 22  1  0  0  0  0
  2 12  1  0  0  0  0
  2 24  1  0  0  0  0
  3  8  1  0  0  0  0
  3 10  1  0  0  0  0
  3 13  1  0  0  0  0
  4 11  1  0  0  0  0
  4 13  2  0  0  0  0
  5 10  1  0  0  0  0
  5 15  2  0  0  0  0
  6 14  2  0  0  0  0
  6 15  1  0  0  0  0
  7 14  1  0  0  0  0
  7 25  1  0  0  0  0
  7 26  1  0  0  0  0
  8  9  1  0  0  0  0
  8 16  1  0  0  0  0
  8 17  1  0  0  0  0
  9 12  1  0  0  0  0
  9 18  1  0  0  0  0
 10 11  2  0  0  0  0
 11 14  1  0  0  0  0
 12 19  1  0  0  0  0
 12 20  1  0  0  0  0
 13 21  1  0  0  0  0
 15 23  1  0  0  0  0
M  END

$$$$
D02XQX
  -OEChem-10101305022D

 30 30  0     0  0  0  0  0  0999 V2000
    3.7320   -1.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.5000    0.0000 O   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
    7.1962    2.0000    0.0000 N   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   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -1.0000    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
    2.8660   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -2.0000    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
    7.1962    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9966   -0.0251    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1996   -0.0251    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
    7.7331   -0.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2646   -0.0251    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4675   -0.0251    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -3.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331   -2.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -0.4631    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -1.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   -1.5369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6592    2.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3722    1.9631    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991    2.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7522    3.0369    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  7  1  0  0  0  0
  2 14  1  0  0  0  0
  3 14  2  0  0  0  0
  4 14  1  0  0  0  0
  4 15  1  0  0  0  0
  4 27  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5  8  2  0  0  0  0
  6 16  1  0  0  0  0
  6 17  1  0  0  0  0
  7  9  2  0  0  0  0
  8 10  1  0  0  0  0
  8 18  1  0  0  0  0
  9 12  1  0  0  0  0
  9 19  1  0  0  0  0
 10 12  2  0  0  0  0
 10 22  1  0  0  0  0
 11 13  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
 13 24  1  0  0  0  0
 13 25  1  0  0  0  0
 13 26  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
M  END

$$$$
D02XRG
  -OEChem-10101305032D

 27 28  0     0  0  0  0  0  0999 V2000
    2.8660    2.5950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.4050    0.0000 N   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   -0.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.0950    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
    2.0000    0.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6260   -0.4397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6260    1.6297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321    0.0742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321    1.1158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -1.7150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -0.2150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6188   -1.0596    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7880   -1.3224    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3894   -2.0127    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6188    2.2496    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    1.4050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0678   -0.2379    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0678    1.4279    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3800   -2.9050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.5250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6200   -2.9050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291    2.9050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1 27  1  0  0  0  0
  2  4  1  0  0  0  0
  2  9  1  0  0  0  0
  2 15  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3  8  2  0  0  0  0
  4  7  2  0  0  0  0
  5  6  1  0  0  0  0
  5 10  2  0  0  0  0
  6 11  2  0  0  0  0
  7 11  1  0  0  0  0
  7 16  1  0  0  0  0
  8 12  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 19  1  0  0  0  0
 10 13  1  0  0  0  0
 10 20  1  0  0  0  0
 11 21  1  0  0  0  0
 12 13  2  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
M  END

$$$$
D02XSH
  -OEChem-10101305022D

 93 98  0     1  0  0  0  0  0999 V2000
    4.6901    3.4836    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8774   -3.4844    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6901    5.4836    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8311   -5.4839    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END

$$$$
D02XTS
  -OEChem-10101305032D

 35 37  0     0  0  0  0  0  0999 V2000
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M  END

$$$$
D02XUD
  -OEChem-10101305022D

 44 47  0     0  0  0  0  0  0999 V2000
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    1.4631   -3.0802    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  1 10  1  0  0  0  0
  2 13  2  0  0  0  0
  3  8  1  0  0  0  0
  3  9  1  0  0  0  0
  3 34  1  0  0  0  0
  4 13  1  0  0  0  0
  4 35  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 10  1  0  0  0  0
  5 25  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  8  1  0  0  0  0
  7 28  1  0  0  0  0
  7 29  1  0  0  0  0
  8 32  1  0  0  0  0
  8 33  1  0  0  0  0
  9 30  1  0  0  0  0
  9 31  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 12 14  1  0  0  0  0
 12 15  2  0  0  0  0
 14 16  2  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
 16 18  1  0  0  0  0
 16 19  1  0  0  0  0
 17 18  2  0  0  0  0
 17 38  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
 22 42  1  0  0  0  0
 23 24  1  0  0  0  0
 23 43  1  0  0  0  0
 24 44  1  0  0  0  0
M  END

$$$$
D02XVV
  -OEChem-10101305022D

 30 32  0     0  0  0  0  0  0999 V2000
    6.0682   -1.2673    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5381   -1.2915    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8003   -1.2673    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0682    0.7327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2022    0.2327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9343    0.2327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2022   -0.7673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3083   -1.3020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8443    0.7395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3083    0.7673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0522    1.7742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9343   -0.7673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4022   -0.7881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8523    1.7811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4022    0.2535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9502    2.3019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3198   -2.3019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7045    0.2295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3154    1.3873    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5117    2.0779    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3904    2.0890    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8665    0.5655    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9478    2.9219    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6999   -2.3091    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3270   -2.9219    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9398   -2.2948    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3883   -0.3038    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2378   -0.0867    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0206    0.7628    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.9836    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1 12  1  0  0  0  0
  2 13  1  0  0  0  0
  2 30  1  0  0  0  0
  3 12  2  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4 11  2  0  0  0  0
  5  7  2  0  0  0  0
  5 10  1  0  0  0  0
  6  9  2  0  0  0  0
  6 12  1  0  0  0  0
  7  8  1  0  0  0  0
  8 13  2  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
 10 15  2  0  0  0  0
 10 19  1  0  0  0  0
 11 16  1  0  0  0  0
 11 20  1  0  0  0  0
 13 15  1  0  0  0  0
 14 16  2  0  0  0  0
 14 21  1  0  0  0  0
 15 22  1  0  0  0  0
 16 23  1  0  0  0  0
 17 24  1  0  0  0  0
 17 25  1  0  0  0  0
 17 26  1  0  0  0  0
 18 27  1  0  0  0  0
 18 28  1  0  0  0  0
 18 29  1  0  0  0  0
M  END

$$$$
D02XWJ
  -OEChem-10191521372D

 34 36  0     0  0  0  0  0  0999 V2000
    2.0000   -0.7363    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.2637    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4920   -0.7709    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4920    1.2984    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.2363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.7637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981   -0.2571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.7363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.2363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.2637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.7637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2622   -0.7604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981    0.7846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2583   -1.7604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1301   -0.2638    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1224   -2.2637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9942   -0.7671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9904   -1.7671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.7363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.2637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.3563    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.8837    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    8.1325    0.3562    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1200   -2.8837    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5323   -0.4592    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5261   -2.0792    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3800   -1.7363    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.3563    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    1.3800    2.2637    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  1 19  1  0  0  0  0
  2 11  1  0  0  0  0
  2 20  1  0  0  0  0
  3  5  1  0  0  0  0
  3  7  2  0  0  0  0
  4  6  1  0  0  0  0
  4 13  2  0  0  0  0
  5  6  1  0  0  0  0
  5  8  2  0  0  0  0
  6 10  2  0  0  0  0
  7 12  1  0  0  0  0
  7 13  1  0  0  0  0
  8  9  1  0  0  0  0
  8 21  1  0  0  0  0
  9 11  2  0  0  0  0
 10 11  1  0  0  0  0
 10 22  1  0  0  0  0
 12 14  2  0  0  0  0
 12 15  1  0  0  0  0
 13 23  1  0  0  0  0
 14 16  1  0  0  0  0
 14 24  1  0  0  0  0
 15 17  2  0  0  0  0
 15 25  1  0  0  0  0
 16 18  2  0  0  0  0
 16 26  1  0  0  0  0
 17 18  1  0  0  0  0
 17 27  1  0  0  0  0
 18 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 32  1  0  0  0  0
 20 33  1  0  0  0  0
 20 34  1  0  0  0  0
M  END

$$$$
D02XXA
  -OEChem-10101305022D

 33 34  0     1  0  0  0  0  0999 V2000
    2.7688    1.0036    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    3.2688   -0.5352    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.4598    0.0526    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0778    0.0526    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7688    1.0036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1810    1.8126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2688   -1.5352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5878    2.7262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4028   -2.0352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1349   -2.0352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    3.5352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4028   -3.0352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1349   -3.0352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2688   -3.5352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8213   -0.8167    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8934    0.3048    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1498   -0.4844    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3878   -0.4844    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6443    0.3048    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3753    1.1325    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    3.1018    2.3795    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.5016    3.8996    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1  3  1  0  0  0  0
  1  5  1  0  0  0  0
  1  6  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  7  1  0  0  0  0
  2 15  1  0  0  0  0
  3 16  1  0  0  0  0
  3 17  1  0  0  0  0
  4  5  1  0  0  0  0
  4 18  1  0  0  0  0
  4 19  1  0  0  0  0
  5 20  1  0  0  0  0
  5 21  1  0  0  0  0
  6  8  1  0  0  0  0
  6 22  1  0  0  0  0
  6 23  1  0  0  0  0
  7  9  2  0  0  0  0
  7 10  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
 10 13  2  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
 11 30  1  0  0  0  0
 12 14  2  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
 14 33  1  0  0  0  0
M  END

$$$$
D02XXK
  -OEChem-10101305022D

 35 38  0     0  0  0  0  0  0999 V2000
    3.8660    1.8761    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6783   -0.9286    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    0.3761    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6783    0.6808    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8660   -1.1239    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    2.3761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5000    3.2421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.3761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8660    0.8761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7320    0.3761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7320   -0.6239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9889   -1.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2619   -0.1239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9674   -2.0854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -0.6239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2781   -3.0359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6353   -1.3411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2566   -3.2421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.9244   -2.4978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  6  1  0  0  0  0
  1  9  1  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
  2 13  1  0  0  0  0
  3  9  1  0  0  0  0
  3 15  2  0  0  0  0
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  5 15  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6 21  1  0  0  0  0
  7  8  1  0  0  0  0
  7 22  1  0  0  0  0
  7 23  1  0  0  0  0
  8 24  1  0  0  0  0
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 10 11  1  0  0  0  0
 12 14  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
 14 16  2  0  0  0  0
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 15 30  1  0  0  0  0
 16 18  1  0  0  0  0
 16 31  1  0  0  0  0
 17 19  2  0  0  0  0
 17 32  1  0  0  0  0
 18 20  2  0  0  0  0
 18 33  1  0  0  0  0
 19 20  1  0  0  0  0
 19 34  1  0  0  0  0
 20 35  1  0  0  0  0
M  END

$$$$
D02XYV
  -OEChem-10101305022D

 23 22  0     1  0  0  0  0  0999 V2000
    2.5369    0.5600    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    1.0600    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    3.4030    1.0600    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.1350    1.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    0.5600    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.4030    2.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -0.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -1.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8705    0.0851    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6675    0.0851    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    0.2100    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
  1  4  1  0  0  0  0
  1 19  1  0  0  0  0
  1 20  1  0  0  0  0
  2  6  1  0  0  0  0
  2 21  1  0  0  0  0
  2 22  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3 10  1  0  0  0  0
  3 11  1  0  0  0  0
  4  7  1  0  0  0  0
  4 12  1  0  0  0  0
  5  6  1  0  0  0  0
  5 13  1  0  0  0  0
  5 14  1  0  0  0  0
  6  8  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
  7 18  1  0  0  0  0
  8  9  3  0  0  0  0
  9 23  1  0  0  0  0
M  END

$$$$
D02XZI
  -OEChem-10101305022D

 38 39  0     1  0  0  0  0  0999 V2000
    7.7331   -1.2702    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    5.6350    2.7686    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -1.7702    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -1.2702    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3749    1.5086    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991   -0.7702    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2331   -2.1362    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2331   -0.4042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    0.2298    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6350    2.7686    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -3.2702    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    1.2298    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
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    4.3260    1.8176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -1.7702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.4030   -2.7702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.5369   -3.2702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  3  1  0  0  0  0
  1  6  1  0  0  0  0
  1  7  1  0  0  0  0
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  4 36  1  0  0  0  0
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  7 38  1  0  0  0  0
  9 12  1  0  0  0  0
  9 13  1  0  0  0  0
  9 26  1  0  0  0  0
 10 17  1  0  0  0  0
 10 31  1  0  0  0  0
 11 20  2  0  0  0  0
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 13 14  1  0  0  0  0
 13 24  1  0  0  0  0
 13 25  1  0  0  0  0
 14 16  1  0  0  0  0
 14 18  2  0  0  0  0
 15 27  1  0  0  0  0
 15 28  1  0  0  0  0
 16 19  1  0  0  0  0
 16 21  2  0  0  0  0
 18 20  1  0  0  0  0
 19 29  1  0  0  0  0
 19 30  1  0  0  0  0
 20 22  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

$$$$
D02XZO
  -OEChem-10101305022D

 54 58  0     1  0  0  0  0  0999 V2000
    9.1857    2.1128    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5357   -2.1948    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9586   -0.5085    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.9288    0.8575    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    7.0628    1.3575    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8750    1.1623    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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   10.4586    0.3575    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.9586   -2.2406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.7687    0.8945    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  9  1  1  1  0  0  0
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 13 18  2  0  0  0  0
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 15 17  2  0  0  0  0
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 16 43  1  0  0  0  0
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 17 20  1  0  0  0  0
 18 22  1  0  0  0  0
 18 46  1  0  0  0  0
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 20 23  2  0  0  0  0
 20 48  1  0  0  0  0
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 21 49  1  0  0  0  0
 22 24  2  0  0  0  0
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 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
 27 54  1  0  0  0  0
M  END

$$$$
D02YBV
  -OEChem-10191521282D

139142  0     1  0  0  0  0  0999 V2000
    8.5991   -1.2002    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651   -1.7002    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.5907    1.6544    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END

$$$$
D02YCL
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    5.7421   -9.2221    0.0000 C   0  0  0  0  0  0           0  0  0
 18 19  1  0     0  0
  4  5  1  0     0  0
 19 20  2  0     0  0
  2  3  1  0     0  0
 20 21  1  0     0  0
  5  6  2  0     0  0
 21 22  2  0     0  0
 22 17  1  0     0  0
  9 10  1  0     0  0
 21 23  1  0     0  0
 10 11  2  0     0  0
 23 24  1  0     0  0
 11 12  1  0     0  0
 23 25  1  0     0  0
 12  8  1  0     0  0
 25 26  1  0     0  0
  6  1  1  0     0  0
 25 27  1  0     0  0
 10 13  1  0     0  0
 25 28  1  0     0  0
  1  2  2  0     0  0
 23 29  1  0     0  0
 11 14  1  0     0  0
 29 30  1  0     0  0
  2  7  1  0     0  0
 29 31  2  0     0  0
 14 15  1  0     0  0
 18 32  1  0     0  0
  3  4  2  0     0  0
 32 33  1  0     0  0
 15 16  1  0     0  0
 33 34  1  0     0  0
  5  8  1  0     0  0
 34 35  2  0     0  0
 16 17  1  0     0  0
 35 36  1  0     0  0
  8  9  2  0     0  0
 36 37  2  0     0  0
 17 18  2  0     0  0
 37 38  1  0     0  0
 38 39  2  0     0  0
 39 34  1  0     0  0
M  END

$$$$
D02YCY
  -OEChem-10101305022D

 41 44  0     1  0  0  0  0  0999 V2000
    5.5442    2.5314    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3903   -2.0348    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    2.9176    0.9968    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321   -1.5378    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.5321   -0.5378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660   -2.0378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4421   -0.0310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2558   -1.5506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2814   -0.5592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660   -0.0378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000   -1.5378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000   -0.5378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4501    1.0106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3829   -3.0348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6500    1.0037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5480    1.5314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9061   -0.0032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.4082    3.0348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5315   -2.3878    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.9132   -2.6925    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    3.4581    1.3005    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    6.9440    3.3468    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0962    3.5705    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  4  1  0  0  0  0
  2  8  1  0  0  0  0
  2 14  1  0  0  0  0
  3 17  1  0  0  0  0
  3 37  1  0  0  0  0
  3 38  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4 22  1  1  0  0  0
  5  7  2  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  6 23  1  0  0  0  0
  6 24  1  0  0  0  0
  7  9  1  0  0  0  0
  7 13  1  0  0  0  0
  8  9  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 12  1  0  0  0  0
 10 15  2  0  0  0  0
 11 12  2  0  0  0  0
 11 18  1  0  0  0  0
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 13 16  2  0  0  0  0
 13 29  1  0  0  0  0
 14 30  1  0  0  0  0
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 14 32  1  0  0  0  0
 15 16  1  0  0  0  0
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 17 19  2  0  0  0  0
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 18 34  1  0  0  0  0
 19 20  1  0  0  0  0
 19 35  1  0  0  0  0
 20 36  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
M  END

$$$$
D02YDU
  -OEChem-10101305022D

 37 37  0     1  0  0  0  0  0999 V2000
    3.7320    1.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.5000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.8660    0.0000    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
    2.8660   -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
    2.8660    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
    3.7320   -1.5000    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
    2.8660    3.0000    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
    2.0000    3.5000    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
    4.2690    0.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6540    0.5826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8101    0.5826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1  3  1  0  0  0  0
  1  7  1  0  0  0  0
  1  8  1  0  0  0  0
  2 15  3  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
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  4  6  1  0  0  0  0
  4 17  1  0  0  0  0
  4 18  1  0  0  0  0
  5  9  1  0  0  0  0
  5 19  1  0  0  0  0
  5 20  1  0  0  0  0
  6 10  1  0  0  0  0
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  6 22  1  0  0  0  0
  7 11  1  0  0  0  0
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  8 12  1  0  0  0  0
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 10 15  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
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 13 35  1  0  0  0  0
 13 36  1  0  0  0  0
 13 37  1  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
M  END

$$$$
D02YEE
  -OEChem-10101305032D

 38 39  0     0  0  0  0  0  0999 V2000
    2.0000   -0.3170    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.3660   -1.6830    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.3660    0.0490    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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   11.5263    0.1830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.3923   -1.3170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.2583   -0.8170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.3923    1.3030    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   12.3923   -1.9370    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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 10 11  1  0  0  0  0
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 14 19  1  0  0  0  0
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 15 31  1  0  0  0  0
 16 22  2  0  0  0  0
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 17 19  2  0  0  0  0
 17 33  1  0  0  0  0
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 20 35  1  0  0  0  0
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 22 37  1  0  0  0  0
 23 38  1  0  0  0  0
M  END

$$$$
D02YFZ
  -OEChem-10101305022D

 27 28  0     0  0  0  0  0  0999 V2000
    4.5981    0.1900    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.1900    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.3100    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.6900    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
    5.4641    1.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.6900    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
    5.4641   -1.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -2.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.8100    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
    5.6762    0.1074    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0747    0.7977    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1215    0.7977    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5200    0.1074    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0747    1.5823    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6762    2.2726    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5200    2.2726    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1215    1.5823    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -1.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951   -2.6200    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
    4.5981   -3.4300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
  1  8  1  0  0  0  0
  2  6  1  0  0  0  0
  2  7  1  0  0  0  0
  2 23  1  0  0  0  0
  3 14  3  0  0  0  0
  4  6  1  0  0  0  0
  4 15  1  0  0  0  0
  4 16  1  0  0  0  0
  5  7  1  0  0  0  0
  5 17  1  0  0  0  0
  5 18  1  0  0  0  0
  6 19  1  0  0  0  0
  6 20  1  0  0  0  0
  7 21  1  0  0  0  0
  7 22  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  2  0  0  0  0
  9 11  2  0  0  0  0
  9 14  1  0  0  0  0
 10 12  1  0  0  0  0
 10 24  1  0  0  0  0
 11 13  1  0  0  0  0
 11 25  1  0  0  0  0
 12 13  2  0  0  0  0
 12 26  1  0  0  0  0
 13 27  1  0  0  0  0
M  END

$$$$
D02YGR
  -OEChem-10191521562D

 46 46  0     0  0  0  0  0  0999 V2000
    3.4013    1.4604    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0503   -2.5004    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.4424    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5855   -0.8531    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0823   -1.8010    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2202    3.1830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8135    2.2694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6270    4.0965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3067    3.5897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1338    2.7762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5823   -0.2621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5823   -0.2621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2733   -1.2132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8913   -1.2132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9945    0.5469    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1701    0.5469    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3222   -1.5222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8424   -1.5222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0014   -2.8094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2093   -3.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1603   -4.0965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2995    2.6162    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3828    1.8234    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8816    2.2099    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1934    3.8444    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8791    4.6629    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0606    4.3487    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5588    4.1561    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7403    3.8419    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0545    3.0233    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7002    2.5241    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3859    3.3426    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0823   -2.4210    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6717    0.1825    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5345    1.0485    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6685    0.9113    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1306   -0.9326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7326   -1.7138    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5138   -2.1119    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6210   -2.7877    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0876   -2.1954    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5896   -3.8092    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1230   -4.4015    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9687   -4.6862    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7500   -4.2881    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3519   -3.5069    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 18  1  0  0  0  0
  2 19  1  0  0  0  0
  3 15  2  0  0  0  0
  4 18  2  0  0  0  0
  5 13  1  0  0  0  0
  5 14  1  0  0  0  0
  5 33  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 22  1  0  0  0  0
  7 23  1  0  0  0  0
  8 25  1  0  0  0  0
  8 26  1  0  0  0  0
  8 27  1  0  0  0  0
  9 28  1  0  0  0  0
  9 29  1  0  0  0  0
  9 30  1  0  0  0  0
 10 24  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 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 17  1  0  0  0  0
 14 18  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 37  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 40  1  0  0  0  0
 19 41  1  0  0  0  0
 20 21  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
M  END

$$$$
D02YGZ
  -OEChem-10101305022D

 36 37  0     0  0  0  0  0  0999 V2000
    6.3301   -0.6830    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.8170    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.1830    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    1.3170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    0.8170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    1.3170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -0.1830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    1.8170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5622    0.4510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5622    2.1830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.1830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.6830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.1830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.6830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.6830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.1830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.6830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    0.5070    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7287    1.7919    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9316    1.7919    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4082   -0.7656    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8067   -0.0754    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0991    2.4930    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2522    2.7200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0252    1.8730    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0252    0.1410    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8722   -0.0860    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0991    0.7610    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2382    1.2800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651    2.1270    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6182    2.3539    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.8030    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
    5.1350   -1.9930    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -0.3730    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.8030    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1 11  1  0  0  0  0
  2  6  1  0  0  0  0
  2 11  1  0  0  0  0
  3 17  1  0  0  0  0
  4  5  1  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  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 18  1  0  0  0  0
  6 19  1  0  0  0  0
  6 20  1  0  0  0  0
  7 21  1  0  0  0  0
  7 22  1  0  0  0  0
  8 29  1  0  0  0  0
  8 30  1  0  0  0  0
  8 31  1  0  0  0  0
  9 26  1  0  0  0  0
  9 27  1  0  0  0  0
  9 28  1  0  0  0  0
 10 23  1  0  0  0  0
 10 24  1  0  0  0  0
 10 25  1  0  0  0  0
 11 12  1  0  0  0  0
 11 32  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 13 15  1  0  0  0  0
 13 33  1  0  0  0  0
 14 16  2  0  0  0  0
 14 34  1  0  0  0  0
 15 17  2  0  0  0  0
 15 35  1  0  0  0  0
 16 17  1  0  0  0  0
 16 36  1  0  0  0  0
M  END

$$$$
D02YHA
  -OEChem-10121500012D

 39 38  0     1  0  0  0  0  0999 V2000
    9.7942   -0.1415    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
   11.5263   -0.1415    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
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   10.6603    0.3585    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2942    0.7245    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2942   -1.0075    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.3923   -0.6415    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0263    0.7245    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0263   -1.0075    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.6415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.1415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.1415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.6415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -0.6415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.8585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.1415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -0.1415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.6415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.8585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0656   -1.1164    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.9966    0.3335    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1996    0.3335    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.2615    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -1.2615    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9501    0.8585    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    1.4785    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7101    0.8585    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4607    0.3335    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6636    0.3335    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -0.1045    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -0.9515    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   -1.1784    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4860    0.8585    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.4785    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2460    0.8585    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6042    1.2615    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.9292   -0.3315    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7163    1.2615    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  1  0  0  0  0
  1  6  2  0  0  0  0
  2  4  1  0  0  0  0
  2  7  1  0  0  0  0
  2  8  1  0  0  0  0
  2  9  2  0  0  0  0
  3 17  1  0  0  0  0
  5 37  1  0  0  0  0
  7 38  1  0  0  0  0
  8 39  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 10 20  1  0  0  0  0
 10 21  1  0  0  0  0
 11 13  1  0  0  0  0
 11 22  1  0  0  0  0
 11 23  1  0  0  0  0
 12 14  2  0  0  0  0
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 13 16  2  0  0  0  0
 13 24  1  0  0  0  0
 14 17  1  0  0  0  0
 14 25  1  0  0  0  0
 15 26  1  0  0  0  0
 15 27  1  0  0  0  0
 15 28  1  0  0  0  0
 16 18  1  0  0  0  0
 16 19  1  0  0  0  0
 17 29  1  0  0  0  0
 17 30  1  0  0  0  0
 18 31  1  0  0  0  0
 18 32  1  0  0  0  0
 18 33  1  0  0  0  0
 19 34  1  0  0  0  0
 19 35  1  0  0  0  0
 19 36  1  0  0  0  0
M  END

$$$$
D02YHD
  -OEChem-10191522132D

 65 69  0     0  0  0  0  0  0999 V2000
   11.1667    3.6594    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    9.5520    4.2860    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6045    2.4995    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   10.1785    3.5066    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
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   10.0782    0.7932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.4662    1.7599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8992    1.5440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.7721   -3.5487    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2192   -4.2100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3077   -3.9977    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3226   -4.6411    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1859   -4.7942    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3390   -3.9308    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8719   -3.3266    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2007   -2.7624    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2785   -1.3551    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1  7  1  0  0  0  0
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  3 36  1  0  0  0  0
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 10 11  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
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 18 20  2  0  0  0  0
 18 53  1  0  0  0  0
 19 21  2  0  0  0  0
 19 54  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 26  1  0  0  0  0
 23 25  2  0  0  0  0
 23 27  1  0  0  0  0
 24 55  1  0  0  0  0
 24 56  1  0  0  0  0
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 25 28  1  0  0  0  0
 26 29  2  0  0  0  0
 26 30  1  0  0  0  0
 27 31  2  0  0  0  0
 27 58  1  0  0  0  0
 28 32  2  0  0  0  0
 28 59  1  0  0  0  0
 29 33  1  0  0  0  0
 29 60  1  0  0  0  0
 30 34  2  0  0  0  0
 30 61  1  0  0  0  0
 31 32  1  0  0  0  0
 31 62  1  0  0  0  0
 33 35  2  0  0  0  0
 33 63  1  0  0  0  0
 34 35  1  0  0  0  0
 34 64  1  0  0  0  0
 35 36  1  0  0  0  0
M  CHG  2   1  -1   7   1
M  END

$$$$
D02YIJ
  -OEChem-10191522152D

 59 60  0     1  0  0  0  0  0999 V2000
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    6.5609   -1.4234    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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   13.6295   -3.1555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.2122   -1.2114    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5219   -0.8128    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   10.5469   -2.5015    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   14.7495   -4.0215    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  9  1  1  1  0  0  0
  1 38  1  0  0  0  0
 17  2  1  6  0  0  0
  2 51  1  0  0  0  0
  3 23  1  0  0  0  0
  3 59  1  0  0  0  0
  4 23  2  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 10  1  0  0  0  0
  5 26  1  6  0  0  0
  6  8  1  0  0  0  0
  6 11  1  0  0  0  0
  6 27  1  6  0  0  0
  7  9  1  0  0  0  0
  7 13  1  6  0  0  0
  7 28  1  0  0  0  0
  8  9  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
 10 12  1  0  0  0  0
 10 32  1  0  0  0  0
 10 33  1  0  0  0  0
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 13 16  2  0  0  0  0
 13 35  1  0  0  0  0
 14 15  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
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 15 40  1  0  0  0  0
 16 17  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
 18 20  1  0  0  0  0
 18 43  1  0  0  0  0
 18 44  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 23  1  0  0  0  0
 20 47  1  0  0  0  0
 20 48  1  0  0  0  0
 21 22  1  0  0  0  0
 21 49  1  0  0  0  0
 21 50  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
 24 25  1  0  0  0  0
 24 54  1  0  0  0  0
 24 55  1  0  0  0  0
 25 56  1  0  0  0  0
 25 57  1  0  0  0  0
 25 58  1  0  0  0  0
M  END

$$$$
D02YJL
  -OEChem-10191522442D

 79 82  0     1  0  0  0  0  0999 V2000
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    2.5357   -4.1817    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1212    0.7445    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.0102    4.0085    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.8255    4.7808    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.2379    2.8238    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7640    2.4393    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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M  END

$$$$
D02YKK
  -OEChem-10191522282D

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 42 45  1  0  0  0  0
 42 66  1  0  0  0  0
 43 46  1  0  0  0  0
 43 48  1  0  0  0  0
 45 46  2  0  0  0  0
 45 67  1  0  0  0  0
 46 68  1  0  0  0  0
 47 71  1  0  0  0  0
M  CHG  1  22   1
M  END

$$$$
D02YMI
  -OEChem-10191522462D

 18 18  0     1  0  0  0  0  0999 V2000
    6.1807   -1.5236    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5896   -0.1237    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1249    1.5236    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0929    0.8242    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5929   -0.7146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2839    0.2365    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.5929   -0.7146    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.9019    0.2365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3328    0.5455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9864   -0.8435    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6577   -1.3312    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1869    0.8488    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2052   -0.6176    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4683   -0.0157    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2119    0.7734    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0929    1.4442    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7973   -1.4588    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.0679    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  7  1  1  6  0  0  0
  1 17  1  0  0  0  0
  2  9  1  0  0  0  0
  2 18  1  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 16  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6  9  1  1  0  0  0
  6 12  1  0  0  0  0
  7  8  1  0  0  0  0
  7 13  1  0  0  0  0
  8 14  1  0  0  0  0
  8 15  1  0  0  0  0
M  END

$$$$
D02YMQ
  -OEChem-10101305022D

 35 38  0     0  0  0  0  0  0999 V2000
    7.2764   -1.3829    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.2083    3.0782    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.0781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -1.0782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2764    0.2266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.0782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.5782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8600   -0.5781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.4219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5870    1.1771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.0781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.5782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9192    1.9214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5655    1.3833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.0782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.5782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.5782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.0782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2298    2.8719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8762    2.3338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.5782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -2.1982    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4690   -1.9722    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4800   -0.5781    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.0418    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0611    0.2319    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3125    1.7936    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9796    0.9219    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.4581    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -2.8882    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -1.2682    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.6982    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8158    3.3334    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4828    2.4617    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -2.8882    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
  1 23  1  0  0  0  0
  2 19  2  0  0  0  0
  2 20  1  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
  5  8  2  0  0  0  0
  5 10  1  0  0  0  0
  6  7  2  0  0  0  0
  6 11  1  0  0  0  0
  6 12  1  0  0  0  0
  7 22  1  0  0  0  0
  8 24  1  0  0  0  0
  9 11  2  0  0  0  0
  9 25  1  0  0  0  0
 10 13  2  0  0  0  0
 10 14  1  0  0  0  0
 11 26  1  0  0  0  0
 12 15  2  0  0  0  0
 12 16  1  0  0  0  0
 13 19  1  0  0  0  0
 13 27  1  0  0  0  0
 14 20  2  0  0  0  0
 14 28  1  0  0  0  0
 15 17  1  0  0  0  0
 15 29  1  0  0  0  0
 16 18  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 21  1  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
 21 35  1  0  0  0  0
M  END

$$$$
D02YNH
          09221000062D 1   1.00000     0.00000     0

 18 20  0     0  0            999 V2000
   -5.4546    2.6972    0.0000 N   0  0  0  0  0  0           0  0  0
   -5.0639    1.8857    0.0000 C   0  0  0  0  0  0           0  0  0
   -4.1865    1.6826    0.0000 C   0  0  0  0  0  0           0  0  0
   -3.4753    2.2430    0.0000 C   0  0  0  0  0  0           0  0  0
   -3.4753    3.1472    0.0000 C   0  0  0  0  0  0           0  0  0
   -4.1865    3.7074    0.0000 C   0  0  0  0  0  0           0  0  0
   -5.0639    3.5085    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.9129    2.2430    0.0000 C   0  0  0  0  0  0           0  0  0
   -2.6962    1.7930    0.0000 N   0  0  0  0  0  0           0  0  0
   -2.6962    3.5972    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.9129    3.1472    0.0000 N   0  0  0  0  0  0           0  0  0
   -1.1338    1.7930    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.3505    2.2430    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.3505    3.1472    0.0000 C   0  0  0  0  0  0           0  0  0
    0.4328    3.5972    0.0000 C   0  0  0  0  0  0           0  0  0
    1.2118    3.1472    0.0000 C   0  0  0  0  0  0           0  0  0
    1.2118    2.2430    0.0000 C   0  0  0  0  0  0           0  0  0
    0.4328    1.7930    0.0000 C   0  0  0  0  0  0           0  0  0
  2  1  1  0     0  0
  3  2  1  0     0  0
  4  3  1  0     0  0
  5  4  1  0     0  0
  6  5  1  0     0  0
  7  6  1  0     0  0
  7  1  1  0     0  0
  9  8  1  0     0  0
 11 10  1  0     0  0
 11  8  2  0     0  0
  9  4  2  0     0  0
 10  5  2  0     0  0
 13 12  1  0     0  0
 14 13  1  0     0  0
 15 14  2  0     0  0
 16 15  1  0     0  0
 17 16  2  0     0  0
 18 17  1  0     0  0
 18 13  2  0     0  0
  8 12  1  0     0  0
M  END

$$$$
D02YOO
  -OEChem-10121500262D

 41 42  0     1  0  0  0  0  0999 V2000
    4.5981   -0.2500    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
    8.0622   -0.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.2500    0.0000 C   0  0  3  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
    5.4641    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  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
    6.3301    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
    4.5981    2.7500    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
    3.7320   -1.7500    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
    5.4641   -1.7500    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   -2.7500    0.0000 C   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
    4.5981   -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   -0.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9316   -0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7287   -0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5947    0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7976    0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0611    1.4400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    1.4400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -0.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0611    3.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    3.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -1.4400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    3.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2382   -0.2869    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651    0.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6182    0.7869    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951   -3.0600    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
    4.5981   -3.8700    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
    1.4631   -2.0600    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  4  1  0  0  0  0
  1 10  1  0  0  0  0
  2 13  1  0  0  0  0
  2 20  1  0  0  0  0
  3  7  1  0  0  0  0
  3 16  1  0  0  0  0
  3 28  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4 21  1  0  0  0  0
  5  7  1  0  0  0  0
  5 22  1  0  0  0  0
  5 23  1  0  0  0  0
  6  8  2  0  0  0  0
  6  9  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
  9 12  2  0  0  0  0
  9 27  1  0  0  0  0
 10 13  1  0  0  0  0
 10 15  2  0  0  0  0
 11 14  2  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
 13 17  2  0  0  0  0
 14 32  1  0  0  0  0
 15 18  1  0  0  0  0
 15 31  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 19  1  0  0  0  0
 17 36  1  0  0  0  0
 18 19  2  0  0  0  0
 18 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
M  END

$$$$
D02YPE
  -OEChem-10101305022D

 27 29  0     0  0  0  0  0  0999 V2000
    4.6660    1.3419    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4144    1.3765    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1962    0.3661    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660   -1.6581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321   -1.1581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000   -1.1581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321   -0.1581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000   -0.1581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660    0.3419    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4260   -1.6927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4260    0.3766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9061   -1.6927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9061    0.3766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3321   -0.1372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3321   -1.1789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.1789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.1372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2675   -2.1330    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0646   -2.1330    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4188   -2.3127    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9132   -2.3127    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9132    0.9966    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8678   -1.4909    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4643   -1.4909    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4643    0.1748    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9478    1.6927    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7343    0.0582    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  2  0  0  0  0
  2 11  1  0  0  0  0
  2 26  1  0  0  0  0
  3 14  1  0  0  0  0
  3 27  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4 18  1  0  0  0  0
  4 19  1  0  0  0  0
  5  7  2  0  0  0  0
  5 10  1  0  0  0  0
  6  8  1  0  0  0  0
  6 12  2  0  0  0  0
  7  9  1  0  0  0  0
  7 11  1  0  0  0  0
  8  9  1  0  0  0  0
  8 13  2  0  0  0  0
 10 15  2  0  0  0  0
 10 20  1  0  0  0  0
 11 14  2  0  0  0  0
 12 16  1  0  0  0  0
 12 21  1  0  0  0  0
 13 17  1  0  0  0  0
 13 22  1  0  0  0  0
 14 15  1  0  0  0  0
 15 23  1  0  0  0  0
 16 17  2  0  0  0  0
 16 24  1  0  0  0  0
 17 25  1  0  0  0  0
M  END

$$$$
D02YSN
  -OEChem-10101305022D

 40 41  0     1  0  0  0  0  0999 V2000
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    2.5878    2.1573    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
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    3.0878   -0.3815    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0878   -3.3815    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.9664    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0878   -2.3815    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2218   -0.8815    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.9538   -1.8815    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  3  1  0  0  0  0
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  2 39  1  0  0  0  0
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  4 20  1  0  0  0  0
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  6 22  1  0  0  0  0
  6 23  1  0  0  0  0
  7 11  2  0  0  0  0
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 10 13  2  0  0  0  0
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 11 13  1  0  0  0  0
 11 26  1  0  0  0  0
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 16 33  1  0  0  0  0
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 16 35  1  0  0  0  0
 17 36  1  0  0  0  0
 17 37  1  0  0  0  0
 17 38  1  0  0  0  0
M  END

$$$$
D02YSX
  -OEChem-10101305022D

 49 52  0     1  0  0  0  0  0999 V2000
    4.8717   -1.3197    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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 24 47  1  0  0  0  0
 24 48  1  0  0  0  0
 24 49  1  0  0  0  0
M  END

$$$$
D02YVZ
  -OEChem-04152110132D

 44 46  0     0  0  0  0  0  0999 V2000
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 23 44  1  0  0  0  0
M  END

$$$$
D02YXI
  -OEChem-04152110272D

496503  0     1  0  0  0  0  0999 V2000
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M  END

$$$$
D02YXP
  -OEChem-10191522482D

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 42 85  1  0  0  0  0
M  END

$$$$
D02YXR
  -OEChem-10101305022D

 52 56  0     1  0  0  0  0  0999 V2000
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    6.5918    0.4719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3370    0.7255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5133    1.2011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8660   -1.6522    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.5133   -1.6522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8660    1.2011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1166   -0.9945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3845   -1.6757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6897   -2.1277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5133    2.1521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8660    2.1521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6897    2.6277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    3.6522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1340    4.1522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0597   -1.3522    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6284   -1.0240    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3760    1.0766    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1  3  1  0  0  0  0
  1  5  1  0  0  0  0
  1  6  2  0  0  0  0
  1  7  2  0  0  0  0
  2 14  1  0  0  0  0
  2 21  1  0  0  0  0
 19  3  1  6  0  0  0
  4 26  1  0  0  0  0
  4 28  1  0  0  0  0
  8 28  2  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
  9 23  1  0  0  0  0
 10 11  1  0  0  0  0
 10 13  1  1  0  0  0
 10 14  1  0  0  0  0
 10 15  1  0  0  0  0
 11 12  1  0  0  0  0
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 11 30  1  1  0  0  0
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 13 16  1  0  0  0  0
 13 32  1  0  0  0  0
 13 33  1  0  0  0  0
 14 19  1  0  0  0  0
 14 34  1  1  0  0  0
 15 18  2  0  0  0  0
 15 21  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
 17 38  1  0  0  0  0
 18 25  1  0  0  0  0
 19 24  1  0  0  0  0
 19 39  1  0  0  0  0
 20 24  2  0  0  0  0
 20 40  1  0  0  0  0
 21 26  2  0  0  0  0
 22 41  1  0  0  0  0
 22 42  1  0  0  0  0
 22 43  1  0  0  0  0
 23 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
 25 27  2  0  0  0  0
 25 48  1  0  0  0  0
 26 27  1  0  0  0  0
 27 49  1  0  0  0  0
 28 29  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  CHG  2   5  -1   9   1
M  END

$$$$
D02YYQ
  -OEChem-10101305022D

 37 39  0     1  0  0  0  0  0999 V2000
    4.4026    0.0451    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7485   -1.0468    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7523    1.1288    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0696    3.7078    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783   -1.7155    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3548    2.5466    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783   -3.3249    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.5202    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.0202    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -4.5202    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7178    4.2402    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7320   -2.0202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8660   -3.5202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0474    3.4982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.0202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4934   -0.1771    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.3795    0.9511    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3035    2.2939    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1364    1.5145    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3154   -0.7956    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3182    0.8756    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8819   -2.5202    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    1.4631   -1.7102    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -4.8302    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -4.8302    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5273    4.8302    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3240    4.1103    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
 12  2  1  1  0  0  0
  2 29  1  0  0  0  0
 13  3  1  1  0  0  0
  3 30  1  0  0  0  0
  4 21  2  0  0  0  0
 14  5  1  6  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  1  0  0  0  0
  6 32  1  0  0  0  0
  7 18  2  0  0  0  0
  7 19  1  0  0  0  0
  8 17  2  0  0  0  0
  8 22  1  0  0  0  0
  9 20  1  0  0  0  0
  9 22  2  0  0  0  0
 10 20  1  0  0  0  0
 10 34  1  0  0  0  0
 10 35  1  0  0  0  0
 11 21  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 23  1  0  0  0  0
 13 15  1  0  0  0  0
 13 24  1  0  0  0  0
 14 25  1  0  0  0  0
 15 16  1  6  0  0  0
 15 26  1  0  0  0  0
 16 27  1  0  0  0  0
 16 28  1  0  0  0  0
 17 19  1  0  0  0  0
 18 31  1  0  0  0  0
 19 20  2  0  0  0  0
 22 33  1  0  0  0  0
M  END

$$$$
D02ZCP
  -OEChem-10101305022D

 31 33  0     0  0  0  0  0  0999 V2000
    6.0174   -0.8174    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    2.2172    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    0.7172    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -0.7828    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    2.2172    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    0.7172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0290    0.1826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    1.7172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.2172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9350    0.6964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0290    2.2519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9350    1.7381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8776   -1.3273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    1.7172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8660   -2.3273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7493   -0.8374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7262   -2.8372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6095   -1.3474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5980   -2.3473    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4708    0.3844    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0218    2.8719    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4708    2.0501    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3255   -2.6310    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8059   -1.0928    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    9.1313   -2.6635    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    2.8372    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.9072    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1 13  1  0  0  0  0
  2  8  1  0  0  0  0
  2 14  2  0  0  0  0
  3  9  2  0  0  0  0
  3 14  1  0  0  0  0
  4  9  1  0  0  0  0
  4 25  1  0  0  0  0
  4 26  1  0  0  0  0
  5 14  1  0  0  0  0
  5 30  1  0  0  0  0
  5 31  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  2  0  0  0  0
  6  9  1  0  0  0  0
  7 10  2  0  0  0  0
  8 11  1  0  0  0  0
 10 12  1  0  0  0  0
 10 20  1  0  0  0  0
 11 12  2  0  0  0  0
 11 21  1  0  0  0  0
 12 22  1  0  0  0  0
 13 15  2  0  0  0  0
 13 16  1  0  0  0  0
 15 17  1  0  0  0  0
 15 23  1  0  0  0  0
 16 18  2  0  0  0  0
 16 24  1  0  0  0  0
 17 19  2  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
 19 29  1  0  0  0  0
M  END

$$$$
D02ZEE
  -OEChem-10101305022D

 28 29  0     0  0  0  0  0  0999 V2000
    2.8660   -1.5000    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
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    3.7320    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7320   -1.0000    0.0000 C   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
    3.7320    2.0000    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
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    5.4641    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    3.0000    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
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    2.0000   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951    0.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1  8  1  0  0  0  0
  1 17  1  0  0  0  0
  2  9  1  0  0  0  0
  2 25  1  0  0  0  0
  3 16  3  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  9  1  0  0  0  0
  5 10  2  0  0  0  0
  6  8  1  0  0  0  0
  6 18  1  0  0  0  0
  7 12  2  0  0  0  0
  7 19  1  0  0  0  0
  8 11  2  0  0  0  0
  9 13  2  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 16  1  0  0  0  0
 12 21  1  0  0  0  0
 13 15  1  0  0  0  0
 13 22  1  0  0  0  0
 14 15  2  0  0  0  0
 14 23  1  0  0  0  0
 15 24  1  0  0  0  0
 17 26  1  0  0  0  0
 17 27  1  0  0  0  0
 17 28  1  0  0  0  0
M  END

$$$$
D02ZFN
  -OEChem-10101305032D

 37 38  0     1  0  0  0  0  0999 V2000
    2.8660   -2.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -3.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.0000    0.0000 O   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 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.5981    1.0000    0.0000 C   0  0  2  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
    7.1962    1.5000    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
    6.3301    3.0000    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
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    4.5981   -2.0000    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
    4.7280    1.9250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    5.9316    3.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    3.3335    1.9750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951   -0.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -0.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -1.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1 15  1  0  0  0  0
  2 17  1  0  0  0  0
  3 11  1  0  0  0  0
  3 18  1  0  0  0  0
  4  5  1  0  0  0  0
  4 10  1  0  0  0  0
  4 25  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 19  1  1  0  0  0
  6 11  1  1  0  0  0
  6 12  1  0  0  0  0
  6 20  1  0  0  0  0
  7  8  1  0  0  0  0
  7 21  1  0  0  0  0
  7 22  1  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 10  1  0  0  0  0
  9 26  1  0  0  0  0
  9 27  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  2  0  0  0  0
 12 14  1  0  0  0  0
 13 15  1  0  0  0  0
 13 32  1  0  0  0  0
 14 16  2  0  0  0  0
 14 33  1  0  0  0  0
 15 17  2  0  0  0  0
 16 17  1  0  0  0  0
 16 34  1  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
M  END

$$$$
D02ZGN
  -OEChem-10101305022D

 26 26  0     1  0  0  0  0  0999 V2000
    7.7331   -1.1900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -1.1900    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -1.1900    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -1.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -0.6900    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.1350   -0.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    0.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    0.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    0.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -0.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    1.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.6720    0.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4871    0.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    0.9300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2471    0.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8890    1.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6490    1.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0000   -0.8800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -1.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1 24  1  0  0  0  0
  2  6  2  0  0  0  0
  2 11  1  0  0  0  0
  3 11  1  0  0  0  0
  3 25  1  0  0  0  0
  3 26  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4 13  1  0  0  0  0
  4 14  1  0  0  0  0
  5  9  1  0  0  0  0
  5 15  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7 16  1  0  0  0  0
  8 10  1  0  0  0  0
  8 12  1  0  0  0  0
  9 17  1  0  0  0  0
  9 18  1  0  0  0  0
  9 19  1  0  0  0  0
 10 11  2  0  0  0  0
 10 20  1  0  0  0  0
 12 21  1  0  0  0  0
 12 22  1  0  0  0  0
 12 23  1  0  0  0  0
M  END

$$$$
D02ZIO
  -OEChem-10101305022D

 66 68  0     0  0  0  0  0  0999 V2000
   11.5942    2.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5942   -2.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   15.9961   -0.4725    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   15.1243    1.0241    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.5342    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   17.7243    0.5342    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.4602    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7282    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4602   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7282   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5942    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5942   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3542    1.0347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8342    1.0347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2602    0.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    0.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8342   -1.0347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3542   -1.0347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.4563    0.5408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.5408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   20.3204    1.0442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   16.8563    1.0308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   15.9923    0.5275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.3470    1.6546    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8414   -1.6546    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.3470   -1.6546    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3317    0.0674    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1287    0.0644    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.0596    0.0644    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.8567    0.0674    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0003    1.5109    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2033    1.5140    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.9851    1.5140    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.1880    1.5109    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3924   -0.8329    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.7960   -0.8329    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2683    1.5176    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   15.1219    1.6442    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4617   -0.0858    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.7267   -0.0858    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6921    1.0856    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.8804    0.0094    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.7265    0.2396    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.4963    1.0856    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1 13  2  0  0  0  0
  2 14  2  0  0  0  0
  3 32  2  0  0  0  0
  4 31  2  0  0  0  0
  5 18  1  0  0  0  0
  5 32  1  0  0  0  0
  5 57  1  0  0  0  0
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  6 58  1  0  0  0  0
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  7 30  1  0  0  0  0
  7 59  1  0  0  0  0
  8 25  1  0  0  0  0
  8 29  1  0  0  0  0
  8 60  1  0  0  0  0
  9 11  2  0  0  0  0
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 10 12  2  0  0  0  0
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 11 14  1  0  0  0  0
 11 20  1  0  0  0  0
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 15 17  2  0  0  0  0
 15 36  1  0  0  0  0
 16 18  2  0  0  0  0
 16 35  1  0  0  0  0
 17 24  1  0  0  0  0
 18 23  1  0  0  0  0
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 19 37  1  0  0  0  0
 20 24  2  0  0  0  0
 20 38  1  0  0  0  0
 21 25  1  0  0  0  0
 21 27  1  0  0  0  0
 21 41  1  0  0  0  0
 21 42  1  0  0  0  0
 22 26  1  0  0  0  0
 22 28  1  0  0  0  0
 22 39  1  0  0  0  0
 22 40  1  0  0  0  0
 23 47  1  0  0  0  0
 24 48  1  0  0  0  0
 25 45  1  0  0  0  0
 25 46  1  0  0  0  0
 26 43  1  0  0  0  0
 26 44  1  0  0  0  0
 27 33  1  0  0  0  0
 27 51  1  0  0  0  0
 27 52  1  0  0  0  0
 28 34  1  0  0  0  0
 28 49  1  0  0  0  0
 28 50  1  0  0  0  0
 29 31  1  0  0  0  0
 29 53  1  0  0  0  0
 29 54  1  0  0  0  0
 30 32  1  0  0  0  0
 30 55  1  0  0  0  0
 30 56  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 61  1  0  0  0  0
 34 65  1  0  0  0  0
 34 66  1  0  0  0  0
M  END

$$$$
D02ZIQ
  -OEChem-10101305022D

 35 36  0     1  0  0  0  0  0999 V2000
    2.0000   -3.2500    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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    4.5981    1.2500    0.0000 N   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
    5.4641    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.7500    0.0000 C   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
    4.5981    3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 16 34  1  0  0  0  0
 17 35  1  0  0  0  0
M  END

$$$$
D02ZIY
  -OEChem-10191522122D

 41 44  0     0  0  0  0  0  0999 V2000
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 25 40  1  0  0  0  0
 26 41  1  0  0  0  0
M  END

$$$$
D02ZLE
  -OEChem-10101305032D

 36 37  0     0  0  0  0  0  0999 V2000
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 19 33  1  0  0  0  0
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 21 35  1  0  0  0  0
M  END

$$$$
D02ZML
  -OEChem-10191522122D

 77 82  0     1  0  0  0  0  0999 V2000
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 44 75  1  0  0  0  0
 44 76  1  0  0  0  0
 44 77  1  0  0  0  0
M  END

$$$$
D02ZNQ
  -OEChem-04152109172D

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 37 59  1  0  0  0  0
M  END

$$$$
D02ZPV
  -OEChem-10101305022D

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 12 14  1  0  0  0  0
 13 14  2  0  0  0  0
 14 21  1  0  0  0  0
 15 17  1  0  0  0  0
 15 33  1  0  0  0  0
 15 34  1  0  0  0  0
 16 18  1  0  0  0  0
 16 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
 18 20  1  0  0  0  0
 18 39  1  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
 19 42  1  0  0  0  0
 20 43  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
M  END

$$$$
D02ZPZ
  -OEChem-10101305032D

 34 36  0     0  0  0  0  0  0999 V2000
    4.2690    2.9622    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    1.4622    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -0.0378    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    2.9622    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    1.4622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0290    0.9275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    2.4622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.9622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9350    1.4414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0290    2.9968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0174   -0.0724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9350    2.4830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.8660   -1.5823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    2.4622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9943   -2.0723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7262   -2.0923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9827   -3.0722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.8429   -3.5822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4708    1.1293    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4769   -0.3762    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0218    3.6168    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    7.4181   -0.2786    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4610   -1.7561    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2667   -1.7885    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.3478    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8059   -0.3478    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4422   -3.3760    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2480   -3.4084    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8357   -4.2021    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    3.5822    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.6522    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1 15  2  0  0  0  0
  2  8  2  0  0  0  0
  2 15  1  0  0  0  0
  3  8  1  0  0  0  0
  3 28  1  0  0  0  0
  3 29  1  0  0  0  0
  4 15  1  0  0  0  0
  4 33  1  0  0  0  0
  4 34  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  9  1  0  0  0  0
  6 11  1  0  0  0  0
  7 10  2  0  0  0  0
  9 12  2  0  0  0  0
  9 21  1  0  0  0  0
 10 12  1  0  0  0  0
 10 23  1  0  0  0  0
 11 13  2  0  0  0  0
 11 22  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
 14 16  2  0  0  0  0
 14 17  1  0  0  0  0
 16 18  1  0  0  0  0
 16 26  1  0  0  0  0
 17 19  2  0  0  0  0
 17 27  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
 20 32  1  0  0  0  0
M  END

$$$$
D02ZQH
  -OEChem-10191522292D

 16 16  0     0  0  0  0  0  0999 V2000
    5.5202    0.2593    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.2593    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7601   -0.0194    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7601   -1.0194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5691    0.5684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9511    0.5684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8940   -1.5194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2601    1.5194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2601    1.5194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9721   -1.6020    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3707   -0.9118    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5840   -0.9825    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3571   -1.8294    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2040   -2.0564    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6245    2.0210    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8956    2.0210    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  2  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  6  1  0  0  0  0
  4  7  1  0  0  0  0
  4 10  1  0  0  0  0
  4 11  1  0  0  0  0
  5  8  1  0  0  0  0
  6  9  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  2  0  0  0  0
  8 15  1  0  0  0  0
  9 16  1  0  0  0  0
M  END

$$$$
D02ZQK
  -OEChem-10101305022D

 28 29  0     0  0  0  0  0  0999 V2000
    2.8660   -3.6012    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.3988    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
    3.7320    0.8988    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
    3.7320    1.8988    0.0000 C   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
    2.0000   -1.1012    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
    5.5116    1.9920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7026    3.3933    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
    3.7320   -2.1012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1808    2.7352    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
    3.9441    0.3162    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3426    1.0064    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6540    0.9814    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2554    0.2911    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5200    2.4814    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1215    1.7911    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   -0.7912    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6405    1.3856    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2419    3.8082    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
    4.2690   -2.4112    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 15  1  0  0  0  0
  2  6  1  0  0  0  0
  2 10  1  0  0  0  0
  2 11  1  0  0  0  0
  3 11  2  0  0  0  0
  3 14  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4 16  1  0  0  0  0
  4 17  1  0  0  0  0
  5  7  1  0  0  0  0
  5 18  1  0  0  0  0
  5 19  1  0  0  0  0
  6 20  1  0  0  0  0
  6 21  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  8 12  1  0  0  0  0
  8 22  1  0  0  0  0
  9 13  2  0  0  0  0
  9 23  1  0  0  0  0
 10 14  2  0  0  0  0
 10 24  1  0  0  0  0
 11 25  1  0  0  0  0
 12 15  2  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 28  1  0  0  0  0
M  END

$$$$
D02ZQM
  -OEChem-10101305022D

 32 34  0     1  0  0  0  0  0999 V2000
    8.9942    1.7568    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.7673    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.1301    1.2535    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.1301    0.2119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2241    1.7673    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
    6.3301    0.2327    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
    5.4641   -0.2673    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
    4.5981    0.2327    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
    3.7320   -0.2673    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
    2.0000   -1.2673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6677    0.9445    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3392   -0.3718    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    6.8195    2.2371    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    5.4641   -0.8873    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
    4.0611    1.5427    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5323    1.4489    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
    1.4631   -1.5773    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1 28  1  0  0  0  0
  2 15  1  0  0  0  0
  2 17  2  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3 18  1  0  0  0  0
  4  6  1  0  0  0  0
  4 19  1  0  0  0  0
  4 20  1  0  0  0  0
  5  8  1  0  0  0  0
  5 21  1  0  0  0  0
  5 22  1  0  0  0  0
  6  7  1  0  0  0  0
  6 23  1  0  0  0  0
  6 24  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  8 10  1  0  0  0  0
  9 11  2  0  0  0  0
  9 25  1  0  0  0  0
 10 12  2  0  0  0  0
 10 26  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 12 27  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
 14 16  2  0  0  0  0
 14 29  1  0  0  0  0
 15 30  1  0  0  0  0
 16 17  1  0  0  0  0
 16 31  1  0  0  0  0
 17 32  1  0  0  0  0
M  END

$$$$
D02ZRO
  -OEChem-10101305032D

 28 30  0     0  0  0  0  0  0999 V2000
    2.8660   -3.0173    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.0173    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.4827    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.9827    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.4827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.9827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    2.4827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.5173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3580    0.9480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3580    3.0173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641    1.4619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.5173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.0173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641    2.5035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.4827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.0173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.5173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.5173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8660    0.6027    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1 16  1  0  0  0  0
  2  6  1  0  0  0  0
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  2 19  1  0  0  0  0
  3  6  2  0  0  0  0
  3 15  1  0  0  0  0
  4  7  1  0  0  0  0
  4 15  2  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 10  2  0  0  0  0
  8 12  2  0  0  0  0
  8 13  1  0  0  0  0
  9 11  1  0  0  0  0
  9 20  1  0  0  0  0
 10 14  1  0  0  0  0
 10 21  1  0  0  0  0
 11 14  2  0  0  0  0
 11 22  1  0  0  0  0
 12 16  1  0  0  0  0
 12 23  1  0  0  0  0
 13 17  2  0  0  0  0
 13 24  1  0  0  0  0
 14 25  1  0  0  0  0
 15 27  1  0  0  0  0
 16 18  2  0  0  0  0
 17 18  1  0  0  0  0
 17 26  1  0  0  0  0
 18 28  1  0  0  0  0
M  END

$$$$
D02ZRX
  -OEChem-10101305022D

 29 30  0     1  0  0  0  0  0999 V2000
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    5.4641   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  5  1  0  0  0  0
  2  8  1  0  0  0  0
  2  9  1  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
  3 15  1  0  0  0  0
  4  6  1  0  0  0  0
  4 16  1  0  0  0  0
  4 17  1  0  0  0  0
  5 18  1  0  0  0  0
  5 19  1  0  0  0  0
  6  8  1  0  0  0  0
  6 20  1  0  0  0  0
  6 21  1  0  0  0  0
  7 10  2  0  0  0  0
  7 11  1  0  0  0  0
  9 22  1  0  0  0  0
  9 23  1  0  0  0  0
  9 24  1  0  0  0  0
 10 12  1  0  0  0  0
 10 25  1  0  0  0  0
 11 13  2  0  0  0  0
 11 26  1  0  0  0  0
 12 14  2  0  0  0  0
 12 27  1  0  0  0  0
 13 14  1  0  0  0  0
 13 28  1  0  0  0  0
 14 29  1  0  0  0  0
M  END

$$$$
D02ZSX
  -OEChem-10101305032D

 42 42  0     0  0  0  0  0  0999 V2000
    5.4641    0.5950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.5981   -1.9050    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
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  8 10  1  0  0  0  0
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 10 12  1  0  0  0  0
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 11 13  1  0  0  0  0
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 12 33  1  0  0  0  0
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 13 35  1  0  0  0  0
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 14 15  1  0  0  0  0
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 16 38  1  0  0  0  0
 17 18  2  0  0  0  0
 17 39  1  0  0  0  0
 18 20  1  0  0  0  0
 19 20  2  0  0  0  0
M  END

$$$$
D02ZUT
          04291100512D 1   1.00000     0.00000     0

 59 61  0     1  0            999 V2000
   -0.3253   -2.1375    0.0000 C   0  0  0  0  0  0           0  0  0
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   -1.5335    0.6542    0.0000 C   0  0  2  0  0  0           0  0  0
   -2.1418    1.0041    0.0000 C   0  0  0  0  0  0           0  0  0
   -2.7459    0.6542    0.0000 N   0  0  0  0  0  0           0  0  0
   -3.3541    1.0041    0.0000 C   0  0  2  0  0  0           0  0  0
   -3.9583    0.6542    0.0000 C   0  0  0  0  0  0           0  0  0
   -3.9583   -0.0417    0.0000 N   0  0  0  0  0  0           0  0  0
   -4.5624   -0.4000    0.0000 C   0  0  2  0  0  0           0  0  0
   -4.5624   -1.0916    0.0000 C   0  0  0  0  0  0           0  0  0
   -3.9583   -1.4375    0.0000 N   0  0  0  0  0  0           0  0  0
   -3.9583   -2.1375    0.0000 C   0  0  3  0  0  0           0  0  0
   -4.5624   -2.4875    0.0000 C   0  0  0  0  0  0           0  0  0
   -4.5624   -3.1833    0.0000 C   0  0  0  0  0  0           0  0  0
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  2  1  1  0     0  0
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 10  9  1  0     0  0
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 21 20  1  0     0  0
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 29 28  1  0     0  0
 29 20  2  0     0  0
 29 24  1  0     0  0
  1 21  1  0     0  0
 13 30  2  0     0  0
 10 31  2  0     0  0
  7 32  2  0     0  0
  4 33  2  0     0  0
  1 34  2  0     0  0
 12 35  1  6     0  0
 37 36  1  0     0  0
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 39 40  1  0     0  0
 37 39  1  0     0  0
  6 36  1  0     0  0
 42 41  1  0     0  0
 43 41  1  0     0  0
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 45 44  1  0     0  0
 46 44  1  0     0  0
  3 44  1  0     0  0
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 49 47  1  0     0  0
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 54 53  1  0     0  0
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 56 51  2  0     0  0
 50 51  1  0     0  0
 56 57  1  0     0  0
 52 58  1  0     0  0
 49 50  1  0     0  0
 15 47  1  0     0  0
 19 59  1  0     0  0
M  END

$$$$
D02ZWC
  -OEChem-10191521202D

 82 87  0     1  0  0  0  0  0999 V2000
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    5.2163    0.4230    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    5.9716    3.0137    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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M  ISO  1   1 125
M  END

$$$$
D02ZWX
  -OEChem-10101305032D

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 86157  1  0  0  0  0
M  END

$$$$
D02ZYA
  -OEChem-10101305032D

 36 37  0     0  0  0  0  0  0999 V2000
    6.0010    0.9050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END

$$$$
D02ZZA
  -OEChem-10101305022D

 30 30  0     1  0  0  0  0  0999 V2000
    2.8660   -2.1550    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    3.3450    0.0000 N   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  2  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
    4.5981    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
    3.7320    0.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.6550    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
    2.0000   -2.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6540    2.4276    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2554    1.7373    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    2.6550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2881    1.3081    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    1.5350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9081    2.3819    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
    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
    3.1951    3.6550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -0.9650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -0.9650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7880   -2.0724    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3894   -2.7627    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3800   -3.6550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -4.2750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6200   -3.6550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  1 12  1  0  0  0  0
  4  2  1  1  0  0  0
  2 22  1  0  0  0  0
  2 23  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3 14  1  0  0  0  0
  3 15  1  0  0  0  0
  4  6  1  0  0  0  0
  4 16  1  0  0  0  0
  5  7  2  0  0  0  0
  5  8  1  0  0  0  0
  6 17  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
  7 20  1  0  0  0  0
  8 11  2  0  0  0  0
  8 21  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 10 24  1  0  0  0  0
 11 25  1  0  0  0  0
 12 13  1  0  0  0  0
 12 26  1  0  0  0  0
 12 27  1  0  0  0  0
 13 28  1  0  0  0  0
 13 29  1  0  0  0  0
 13 30  1  0  0  0  0
M  END

$$$$
D02ZZQ
  -OEChem-10101305022D

 31 33  0     0  0  0  0  0  0999 V2000
    7.3991   -1.7251    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5274    1.1355    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3424   -1.1881    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0274   -0.4033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3364    0.5477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0274   -0.4033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7183    0.5477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7123   -1.1881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3518    0.7800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0547    0.0113    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7328   -0.9794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5274    2.1355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7029    0.7800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3923   -2.1355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0321    0.2230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.0113    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3219   -0.9794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5365    1.3718    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1474    2.1355    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5274    2.7555    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9074    2.1355    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5182    1.3718    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8049   -1.9371    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1939   -2.7229    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9797   -2.3339    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1633   -0.3830    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6380    0.3542    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9008    0.8289    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3940    0.1425    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9088   -1.4417    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0060   -1.5985    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  0  0  0  0
  1 31  1  0  0  0  0
  2  5  1  0  0  0  0
  2  7  1  0  0  0  0
  2 12  1  0  0  0  0
  3  6  1  0  0  0  0
  3 17  2  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  6  7  2  0  0  0  0
  7 13  1  0  0  0  0
  8 11  2  0  0  0  0
  8 14  1  0  0  0  0
  9 10  2  0  0  0  0
  9 18  1  0  0  0  0
 10 11  1  0  0  0  0
 10 15  1  0  0  0  0
 12 19  1  0  0  0  0
 12 20  1  0  0  0  0
 12 21  1  0  0  0  0
 13 16  2  0  0  0  0
 13 22  1  0  0  0  0
 14 23  1  0  0  0  0
 14 24  1  0  0  0  0
 14 25  1  0  0  0  0
 15 26  1  0  0  0  0
 15 27  1  0  0  0  0
 15 28  1  0  0  0  0
 16 17  1  0  0  0  0
 16 29  1  0  0  0  0
 17 30  1  0  0  0  0
M  END

$$$$
D03AAC
  -OEChem-10191522502D

 50 50  0     1  0  0  0  0  0999 V2000
    8.0622    4.5485    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    5.0485    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5622    5.4146    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    1.0485    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5622    3.6825    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.0485    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    3.0485    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.9515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.4515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.9515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -4.4515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    3.0485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    2.5485    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.5981   -1.4515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    4.0485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -4.9515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.4515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    1.5485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.0485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.9515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -5.9515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.4515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -1.4515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9441   -3.5341    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3426   -2.8438    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6540   -2.8689    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2554   -3.5591    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5200   -1.3689    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1215   -2.0591    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0781   -5.0341    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4766   -4.3438    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4082    2.4659    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8067    3.1562    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7932    2.2385    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9841    4.6311    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5856    3.9409    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7880   -4.3689    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3894   -5.0591    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0611   -0.1415    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -2.5715    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9272    1.3585    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3800   -5.9515    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -6.5715    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6200   -5.9515    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -0.1415    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    3.6685    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9272    2.7385    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -1.7615    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    5.6685    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8722    5.9515    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 15  1  0  0  0  0
  2 49  1  0  0  0  0
  3 50  1  0  0  0  0
  4 18  2  0  0  0  0
  6 18  1  0  0  0  0
  6 19  1  0  0  0  0
  6 41  1  0  0  0  0
 13  7  1  6  0  0  0
  7 46  1  0  0  0  0
  7 47  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
  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 14  1  0  0  0  0
 10 28  1  0  0  0  0
 10 29  1  0  0  0  0
 11 16  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 15  1  0  0  0  0
 12 32  1  0  0  0  0
 12 33  1  0  0  0  0
 13 18  1  0  0  0  0
 13 34  1  0  0  0  0
 14 17  2  0  0  0  0
 14 20  1  0  0  0  0
 15 35  1  0  0  0  0
 15 36  1  0  0  0  0
 16 21  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
 19 22  2  0  0  0  0
 20 23  2  0  0  0  0
 20 40  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 23  1  0  0  0  0
 22 45  1  0  0  0  0
 23 48  1  0  0  0  0
M  END

$$$$
D03AER
  -OEChem-10101305032D

 79 85  0     0  0  0  0  0  0999 V2000
    6.5422   -8.0326    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2566    1.5934    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2746    3.6201    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6103   -5.1811    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783   -2.3295    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2619   -1.5248    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.5248    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8660    0.4752    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9209    3.0820    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9801    5.5816    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9209   -6.1316    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.2781   -4.4368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6318   -4.9749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3211   -4.0244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9674   -3.4863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8994   -6.3378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.2781    1.3872    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.9801    5.5816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 41 77  1  0  0  0  0
 42 43  2  0  0  0  0
 42 78  1  0  0  0  0
 43 79  1  0  0  0  0
M  END

$$$$
D03AGD
  -OEChem-10191521452D

 70 72  0     1  0  0  0  0  0999 V2000
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 31 33  1  0  0  0  0
 31 68  1  0  0  0  0
 33 69  1  0  0  0  0
M  END

$$$$
D03AGV
  -OEChem-10101305022D

 30 30  0     0  0  0  0  0  0999 V2000
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 14 23  1  0  0  0  0
 15 24  1  0  0  0  0
 15 25  1  0  0  0  0
 15 26  1  0  0  0  0
M  END

$$$$
D03AHJ
  -OEChem-10101305032D

 55 54  0     0  0  0  0  0  0999 V2000
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  1 20  2  0  0  0  0
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 18 50  1  0  0  0  0
 19 51  1  0  0  0  0
 19 52  1  0  0  0  0
 19 53  1  0  0  0  0
M  END

$$$$
D03AHQ
  -OEChem-10101305022D

114118  0     1  0  0  0  0  0999 V2000
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M  END

$$$$
D03AHW
  -OEChem-04152122232D

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 59105  1  0  0  0  0
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 61109  1  0  0  0  0
 61110  1  0  0  0  0
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 62112  1  0  0  0  0
 63 65  1  0  0  0  0
 63114  1  0  0  0  0
 64115  1  0  0  0  0
 64116  1  0  0  0  0
 65 66  1  0  0  0  0
 65117  1  0  0  0  0
 66118  1  0  0  0  0
M  END

$$$$
D03AJS
  -OEChem-10101305022D

 51 53  0     1  0  0  0  0  0999 V2000
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   10.3312    1.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.9292    2.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 12  2  1  1  0  0  0
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 10  5  1  6  0  0  0
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 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

$$$$
D03AJW
  -OEChem-10101305022D

 36 37  0     0  0  0  0  0  0999 V2000
    7.2764   -2.1953    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2764   -3.8047    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  1  9  1  0  0  0  0
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  3  7  1  0  0  0  0
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  5 19  1  0  0  0  0
  5 20  1  0  0  0  0
  6  8  1  0  0  0  0
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 10 15  2  0  0  0  0
 10 26  1  0  0  0  0
 11 13  1  0  0  0  0
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 17 33  1  0  0  0  0
 17 34  1  0  0  0  0
 17 35  1  0  0  0  0
 18 36  1  0  0  0  0
M  END

$$$$
D03ALC
  -OEChem-10101305022D

 54 54  0     1  0  0  0  0  0999 V2000
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  1 32  1  0  0  0  0
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 30 43  1  0  0  0  0
 30 44  1  0  0  0  0
 32 34  1  0  0  0  0
 33 35  1  0  0  0  0
M  END

$$$$
D03AMR
  -OEChem-10101305032D

 79 81  0     1  0  0  0  0  0999 V2000
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 12  6  1  1  0  0  0
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 26 68  1  0  0  0  0
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 35 37  2  0  0  0  0
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 36 38  2  0  0  0  0
 36 77  1  0  0  0  0
 37 38  1  0  0  0  0
 37 78  1  0  0  0  0
 38 79  1  0  0  0  0
M  END

$$$$
D03ANS
  -OEChem-10101305032D

 47 50  0     0  0  0  0  0  0999 V2000
    2.8203   -0.6723    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2984   -1.3304    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0246    1.7181    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.8950   -0.3705    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.8950    1.6988    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9136   -2.4519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3203   -1.5383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5068   -3.3654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8271   -2.8586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.0451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4894    0.0709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4030   -0.3359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.1350   -0.3359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2690    1.1641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3304    1.3580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  7  1  0  0  0  0
  1 11  1  0  0  0  0
  1 36  1  0  0  0  0
  2  7  2  0  0  0  0
  2 12  1  0  0  0  0
  3 14  1  0  0  0  0
  3 21  2  0  0  0  0
  4 18  2  0  0  0  0
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  6 10  1  0  0  0  0
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  8 29  1  0  0  0  0
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  9 31  1  0  0  0  0
  9 32  1  0  0  0  0
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 10 27  1  0  0  0  0
 10 34  1  0  0  0  0
 10 35  1  0  0  0  0
 11 12  2  0  0  0  0
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 12 13  1  0  0  0  0
 13 15  2  0  0  0  0
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 15 18  1  0  0  0  0
 15 37  1  0  0  0  0
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 16 38  1  0  0  0  0
 17 22  1  0  0  0  0
 17 39  1  0  0  0  0
 18 20  1  0  0  0  0
 19 20  1  0  0  0  0
 19 40  1  0  0  0  0
 21 23  1  0  0  0  0
 21 24  1  0  0  0  0
 22 23  2  0  0  0  0
 22 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 26  2  0  0  0  0
 25 46  1  0  0  0  0
 26 47  1  0  0  0  0
M  END

$$$$
D03APP
  -OEChem-10191522052D

 27 28  0     0  0  0  0  0  0999 V2000
    2.5369   -1.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    0.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    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
    6.0010    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
    4.2690   -2.0000    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
    6.0010    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
    5.1350   -2.5000    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
    6.8671    2.5000    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
    7.7331    2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1 15  1  0  0  0  0
  1 27  1  0  0  0  0
  2 15  2  0  0  0  0
  3  4  1  0  0  0  0
  3  6  1  0  0  0  0
  3 17  1  0  0  0  0
  4  5  1  0  0  0  0
  4  7  2  0  0  0  0
  5  8  2  0  0  0  0
  5 15  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
  7 18  1  0  0  0  0
  8 12  1  0  0  0  0
  8 19  1  0  0  0  0
  9 13  1  0  0  0  0
  9 20  1  0  0  0  0
 10 14  2  0  0  0  0
 10 21  1  0  0  0  0
 11 12  2  0  0  0  0
 11 22  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
 14 16  1  0  0  0  0
 14 25  1  0  0  0  0
 16 26  1  0  0  0  0
M  END

$$$$
D03ATU
  -OEChem-10121500452D

 32 34  0     0  0  0  0  0  0999 V2000
    8.0437   -3.0445    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    6.3465   -0.0247    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641    1.4891    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.5099    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3580    3.0445    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.0099    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.5099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3580    0.9752    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    2.5099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.0099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2067   -0.5347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.5099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8660    0.3899    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7998    2.8428    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4791   -0.2510    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.3100    2.0468    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    1.8199    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1 17  1  0  0  0  0
  2  8  1  0  0  0  0
  2 11  1  0  0  0  0
  2 22  1  0  0  0  0
  3  8  2  0  0  0  0
  3 16  1  0  0  0  0
  4 12  2  0  0  0  0
  4 13  1  0  0  0  0
  5  9  1  0  0  0  0
  5 16  2  0  0  0  0
  6 12  1  0  0  0  0
  6 20  1  0  0  0  0
  6 26  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 10  2  0  0  0  0
  9 13  2  0  0  0  0
 10 12  1  0  0  0  0
 10 21  1  0  0  0  0
 11 14  2  0  0  0  0
 11 15  1  0  0  0  0
 13 23  1  0  0  0  0
 14 17  1  0  0  0  0
 14 24  1  0  0  0  0
 15 18  2  0  0  0  0
 15 25  1  0  0  0  0
 16 27  1  0  0  0  0
 17 19  2  0  0  0  0
 18 19  1  0  0  0  0
 18 28  1  0  0  0  0
 19 29  1  0  0  0  0
 20 30  1  0  0  0  0
 20 31  1  0  0  0  0
 20 32  1  0  0  0  0
M  END

$$$$
D03AWH
  -OEChem-10101305022D

 59 61  0     0  0  0  0  0  0999 V2000
    8.1147   -0.1736    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3663    2.8610    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9928    4.3957    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5846   -0.1977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.4487    0.3056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7243   -1.7011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0812    0.6663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0879   -1.0618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9807    0.3264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2487    0.3264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3547   -0.2083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2487    1.3264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8602   -2.2044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.4487    1.3472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1 10  1  0  0  0  0
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 10 15  1  0  0  0  0
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 16 41  1  0  0  0  0
 17 23  1  0  0  0  0
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 26 54  1  0  0  0  0
 27 56  1  0  0  0  0
 27 57  1  0  0  0  0
 27 58  1  0  0  0  0
M  END

$$$$
D03AYF
  -OEChem-10101305022D

 43 44  0     0  0  0  0  0  0999 V2000
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M  END

$$$$
D03AZC
  -OEChem-10101305022D

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 91163  1  0  0  0  0
 93164  1  0  0  0  0
 93165  1  0  0  0  0
 93166  1  0  0  0  0
M  END

$$$$
D03AZI
  -OEChem-10101305032D

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  1 10  2  0  0  0  0
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 11  3  1  1  0  0  0
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 12  5  1  6  0  0  0
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 13  6  1  1  0  0  0
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 16 22  1  0  0  0  0
 16 23  1  0  0  0  0
M  END

$$$$
D03BAB
  -OEChem-10101305022D

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M  END

$$$$
D03BDK
  -OEChem-10191522172D

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 56112  1  0  0  0  0
M  END

$$$$
D03BFH
  -OEChem-10101305022D

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M  END

$$$$
D03BHQ
  -OEChem-10101305032D

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M  END

$$$$
D03BIQ
  -OEChem-10101305022D

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  3 31  1  0  0  0  0
  4 24  1  0  0  0  0
  4 25  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
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  7 15  2  0  0  0  0
  8 14  2  0  0  0  0
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  9 20  1  0  0  0  0
  9 23  1  0  0  0  0
  9 46  1  0  0  0  0
 10 11  1  0  0  0  0
 10 13  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 32  1  0  0  0  0
 11 33  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
 15 16  1  0  0  0  0
 15 19  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 17 21  1  0  0  0  0
 18 20  2  0  0  0  0
 18 40  1  0  0  0  0
 19 22  2  0  0  0  0
 19 41  1  0  0  0  0
 20 22  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 45  1  0  0  0  0
 23 24  1  0  0  0  0
 24 47  1  0  0  0  0
 24 48  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 49  1  0  0  0  0
 28 30  2  0  0  0  0
 28 50  1  0  0  0  0
 29 51  1  0  0  0  0
 30 52  1  0  0  0  0
M  END

$$$$
D03BIT
  -OEChem-04152108572D

 31 32  0     1  0  0  0  0  0999 V2000
    9.5312   -0.6202    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
   11.2632   -0.6269    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    8.6671   -0.1169    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3952   -1.1236    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0345    0.2439    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0278   -1.4843    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -1.5894    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1311   -0.1303    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7598   -1.4949    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7665    0.2410    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0290   -0.6241    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0290    1.4452    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -0.0894    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    1.4106    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    1.4106    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.9350   -0.1102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7991   -0.6136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -0.0894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    0.9106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9350    0.9314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.4030    0.9106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3988   -1.0870    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1958   -1.0900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4708    1.2435    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.3994    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7266    0.7820    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    2.0306    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.1006    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.6669   -0.4423    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4478   -2.0306    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  1  0  0  0  0
  1  6  2  0  0  0  0
  2  4  1  0  0  0  0
  2  8  1  0  0  0  0
  2  9  1  0  0  0  0
  2 10  2  0  0  0  0
  3 17  1  0  0  0  0
  5 27  1  0  0  0  0
  7 21  2  0  0  0  0
  8 30  1  0  0  0  0
  9 31  1  0  0  0  0
 11 16  1  0  0  0  0
 11 18  2  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 22  1  0  0  0  0
 13 26  1  0  0  0  0
 14 19  1  0  0  0  0
 14 22  2  0  0  0  0
 15 22  1  0  0  0  0
 15 28  1  0  0  0  0
 15 29  1  0  0  0  0
 16 17  1  0  0  0  0
 16 20  2  0  0  0  0
 17 23  1  0  0  0  0
 17 24  1  0  0  0  0
 18 19  1  0  0  0  0
 18 21  1  0  0  0  0
 20 25  1  0  0  0  0
M  END

$$$$
D03BJB
  -OEChem-10191522072D

 48 51  0     0  0  0  0  0  0999 V2000
    2.0000   -2.5670    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.3660   -2.9330    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.3660   -1.2010    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   12.3923    2.4330    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5263    0.9330    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    0.9330    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.9330    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    2.4330    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    2.4330    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.2583    0.9330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7583    0.0670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2583    0.9330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3923    1.4330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603    1.4330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942    0.9330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603    2.4330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.7942    2.9330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.5981   -0.0670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7320   -1.5670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.5670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.3301    2.9330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4188    1.5319    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.2834   -0.3315    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.2333   -0.3315    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.8409    0.7210    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.3660    1.5436    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   11.1972    2.7430    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    6.3301    3.5530    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 13  2  0  0  0  0
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  5 14  1  0  0  0  0
  5 36  1  0  0  0  0
  6 17  1  0  0  0  0
  6 20  1  0  0  0  0
  6 41  1  0  0  0  0
  7 21  1  0  0  0  0
  7 23  1  0  0  0  0
  7 43  1  0  0  0  0
  8 20  2  0  0  0  0
  8 30  1  0  0  0  0
  9 23  1  0  0  0  0
  9 30  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 15  1  0  0  0  0
 14 16  2  0  0  0  0
 15 17  2  0  0  0  0
 15 37  1  0  0  0  0
 16 18  1  0  0  0  0
 16 38  1  0  0  0  0
 17 19  1  0  0  0  0
 18 19  2  0  0  0  0
 18 39  1  0  0  0  0
 19 40  1  0  0  0  0
 20 22  1  0  0  0  0
 21 25  1  0  0  0  0
 21 26  2  0  0  0  0
 22 23  2  0  0  0  0
 22 42  1  0  0  0  0
 24 25  2  0  0  0  0
 24 27  1  0  0  0  0
 24 29  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 28  2  0  0  0  0
 27 46  1  0  0  0  0
 28 47  1  0  0  0  0
 30 48  1  0  0  0  0
M  END

$$$$
D03BJF
  -OEChem-10191521522D

 67 71  0     0  0  0  0  0  0999 V2000
    4.9568   -3.5170    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.4831    3.9830    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   12.7510    2.9830    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    5.3228    3.8490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.6888    2.4830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4209    1.4830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7510    3.9830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6171    2.4830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1529    1.4830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.4831    2.9830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.8850    1.4830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0190    2.9830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1 18  2  0  0  0  0
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 31 65  1  0  0  0  0
 32 66  1  0  0  0  0
 33 67  1  0  0  0  0
M  END

$$$$
D03BNC
  -OEChem-10101305022D

 33 34  0     0  0  0  0  0  0999 V2000
   11.5263    1.3100    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
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 18 19  1  0  0  0  0
 18 32  1  0  0  0  0
 19 20  2  0  0  0  0
 20 33  1  0  0  0  0
M  END

$$$$
D03BNM
  -OEChem-10101305022D

 76 79  0     1  0  0  0  0  0999 V2000
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 19  8  1  1  0  0  0
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 16  9  1  6  0  0  0
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 38 40  2  0  0  0  0
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 39 40  1  0  0  0  0
 39 75  1  0  0  0  0
 40 76  1  0  0  0  0
M  END

$$$$
D03BNO
  -OEChem-10191522352D

 57 58  0     1  0  0  0  0  0999 V2000
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   11.8516    3.3942    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  1  8  1  0  0  0  0
  2  9  1  0  0  0  0
 15  3  1  6  0  0  0
  3 45  1  0  0  0  0
  4 25  1  0  0  0  0
  4 57  1  0  0  0  0
  5 25  2  0  0  0  0
  6  7  1  0  0  0  0
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  6 11  1  6  0  0  0
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 13 35  1  0  0  0  0
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 16 18  1  0  0  0  0
 16 38  1  0  0  0  0
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 17 39  1  0  0  0  0
 17 40  1  0  0  0  0
 18 21  1  0  0  0  0
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 18 42  1  0  0  0  0
 19 20  1  0  0  0  0
 19 43  1  0  0  0  0
 19 44  1  0  0  0  0
 20 22  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
 21 48  1  0  0  0  0
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 22 24  1  0  0  0  0
 22 50  1  0  0  0  0
 22 51  1  0  0  0  0
 23 25  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
M  END

$$$$
D03BOO
  -OEChem-10101305022D

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    8.0622    1.7500    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
    8.9282    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
    7.1962    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    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
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   10.6603   -1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.5263   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.5263   -3.2500    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
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   12.3923   -2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    3.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    6.9841    1.8326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    6.6592    3.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   10.1928   -0.7751    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.1996   -0.7751    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1233   -3.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5263   -0.6300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   12.9292   -3.0600    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
  1 13  2  0  0  0  0
  2 12  1  0  0  0  0
  2 14  1  0  0  0  0
  2 40  1  0  0  0  0
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  3 13  1  0  0  0  0
  4 13  1  0  0  0  0
  4 15  1  0  0  0  0
  4 43  1  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  5  9  1  0  0  0  0
  5 28  1  0  0  0  0
  6  7  1  0  0  0  0
  6 29  1  0  0  0  0
  6 30  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 33  1  0  0  0  0
  8 37  1  0  0  0  0
  8 38  1  0  0  0  0
  9 34  1  0  0  0  0
  9 35  1  0  0  0  0
  9 36  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 11 39  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 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 20  2  0  0  0  0
 17 21  1  0  0  0  0
 18 22  1  0  0  0  0
 18 46  1  0  0  0  0
 19 23  2  0  0  0  0
 19 47  1  0  0  0  0
 20 24  1  0  0  0  0
 20 48  1  0  0  0  0
 21 25  2  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 26  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 27  1  0  0  0  0
 25 53  1  0  0  0  0
 26 54  1  0  0  0  0
 27 55  1  0  0  0  0
M  END

$$$$
D03BPG
  -OEChem-10191522442D

 27 28  0     0  0  0  0  0  0999 V2000
    2.0000   -0.7500    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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    5.4641   -3.7500    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    6.3301   -2.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    5.4641   -2.7500    0.0000 N   0  3  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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  1 12  1  0  0  0  0
  2 10  2  0  0  0  0
  3  6  1  0  0  0  0
  4  6  2  0  0  0  0
  5 10  1  0  0  0  0
  5 13  1  0  0  0  0
  5 21  1  0  0  0  0
  6 11  1  0  0  0  0
  7 18  2  0  0  0  0
  7 19  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  2  0  0  0  0
  9 20  1  0  0  0  0
 11 14  1  0  0  0  0
 12 15  1  0  0  0  0
 13 16  2  0  0  0  0
 13 17  1  0  0  0  0
 14 15  2  0  0  0  0
 14 22  1  0  0  0  0
 15 23  1  0  0  0  0
 16 18  1  0  0  0  0
 16 24  1  0  0  0  0
 17 19  2  0  0  0  0
 17 25  1  0  0  0  0
 18 26  1  0  0  0  0
 19 27  1  0  0  0  0
M  CHG  2   3  -1   6   1
M  END

$$$$
D03BPU
  -OEChem-02061504142D

 92 95  0     1  0  0  0  0  0999 V2000
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M  END

$$$$
D03BQI
  -OEChem-04152122242D

 37 39  0     0  0  0  0  0  0999 V2000
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M  END

$$$$
D03BQJ
  -OEChem-10101305032D

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 18 29  1  0  0  0  0
 18 30  1  0  0  0  0
M  END

$$$$
D03BQS
  -OEChem-10101305032D

 31 33  0     0  0  0  0  0  0999 V2000
    3.8000    1.1123    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321    2.1123    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321    1.1123    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660   -0.3877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321   -0.8877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000   -0.8877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660   -2.3877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321   -1.8877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000   -1.8877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4260   -0.3530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9061   -0.3530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660    0.6123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4260   -2.4223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9061   -2.4223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3321   -0.8669    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.8669    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.9085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3321   -1.9085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.0646   -2.8626    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4188    0.2670    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.9132   -3.0423    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8678   -0.5548    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4643   -0.5548    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8678   -2.2205    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4643   -2.2205    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0690    0.8023    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0690    2.4223    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  2  0  0  0  0
  2  3  1  0  0  0  0
  2 31  1  0  0  0  0
  3 12  1  0  0  0  0
  3 30  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4 12  1  0  0  0  0
  4 19  1  0  0  0  0
  5  8  1  0  0  0  0
  5 10  2  0  0  0  0
  6  9  1  0  0  0  0
  6 11  2  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 13  2  0  0  0  0
  9 14  2  0  0  0  0
 10 15  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
 13 18  1  0  0  0  0
 13 24  1  0  0  0  0
 14 17  1  0  0  0  0
 14 25  1  0  0  0  0
 15 18  2  0  0  0  0
 15 26  1  0  0  0  0
 16 17  2  0  0  0  0
 16 27  1  0  0  0  0
 17 29  1  0  0  0  0
 18 28  1  0  0  0  0
M  END

$$$$
D03BQV
  -OEChem-10101305022D

 40 41  0     1  0  0  0  0  0999 V2000
    4.5981    1.5070    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.0070    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8301    2.3730    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.0070    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.9641    0.8730    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.4641    0.0070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9641    1.8730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.9930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.5070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.4930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -1.4930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.5070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.9930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.4930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -2.4930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -2.9930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.0070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.4930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5630    1.0335    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5718   -0.6036    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0467    0.2190    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7520    2.4556    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3535    1.7654    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0611   -1.1830    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -1.1830    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8301    2.9930    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3671    2.0630    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2646    0.9819    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4675    0.9819    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9441   -1.5756    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3426   -0.8854    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0611   -2.8030    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -2.8030    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -3.6130    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5560   -0.9561    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -1.8030    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900    0.5439    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -0.3030    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   -0.5299    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1760   -2.0300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  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
  3  7  1  0  0  0  0
  3 26  1  0  0  0  0
  3 27  1  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
  4  9  1  1  0  0  0
  5  6  1  0  0  0  0
  5  7  1  6  0  0  0
  5 19  1  0  0  0  0
  6 20  1  0  0  0  0
  6 21  1  0  0  0  0
  7 22  1  0  0  0  0
  7 23  1  0  0  0  0
  8 10  2  0  0  0  0
  8 11  1  0  0  0  0
 10 14  1  0  0  0  0
 10 24  1  0  0  0  0
 11 15  2  0  0  0  0
 11 25  1  0  0  0  0
 12 17  1  0  0  0  0
 12 28  1  0  0  0  0
 12 29  1  0  0  0  0
 13 18  1  0  0  0  0
 13 30  1  0  0  0  0
 13 31  1  0  0  0  0
 14 16  2  0  0  0  0
 14 32  1  0  0  0  0
 15 16  1  0  0  0  0
 15 33  1  0  0  0  0
 16 34  1  0  0  0  0
 17 37  1  0  0  0  0
 17 38  1  0  0  0  0
 17 39  1  0  0  0  0
 18 35  1  0  0  0  0
 18 36  1  0  0  0  0
 18 40  1  0  0  0  0
M  END

$$$$
D03BRB
  BIDD-NUS20110812001D

 67 72  0     1  0            999 V2000
    2.5497   -0.8035    0.0000 C   0  0  0  0  0  0           0  0  0
    1.8265   -2.0459    0.0000 N   0  0  0  0  0  0           0  0  0
    1.8265   -1.2212    0.0000 C   0  0  1  0  0  0           0  0  0
    1.1214   -0.8093    0.0000 C   0  0  0  0  0  0           0  0  0
    0.4205   -1.2134    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.2960   -0.7661    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.0273   -1.1653    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.0452   -1.9909    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.7639   -2.4034    0.0000 O   0  0  0  0  0  0           0  0  0
   -0.3315   -2.4256    0.0000 C   0  0  0  0  0  0           0  0  0
    0.3904   -2.0310    0.0000 C   0  0  0  0  0  0           0  0  0
    3.2773   -1.2244    0.0000 O   0  0  0  0  0  0           0  0  0
    1.1089   -2.4434    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.2960    0.0586    0.0000 C   0  0  0  0  0  0           0  0  0
    8.1622   -7.5461    0.0000 C   0  0  3  0  0  0           0  0  0
    8.1452   -8.3707    0.0000 C   0  0  0  0  0  0           0  0  0
    7.4568   -7.1203    0.0000 N   0  0  0  0  0  0           0  0  0
    8.8506   -8.7965    0.0000 O   0  0  0  0  0  0           0  0  0
    7.4228   -8.7695    0.0000 N   0  0  0  0  0  0           0  0  0
    8.8836   -7.1477    0.0000 C   0  0  0  0  0  0           0  0  0
    6.7613   -5.8739    0.0000 C   0  0  0  0  0  0           0  0  0
    6.7752   -5.0492    0.0000 C   0  0  0  0  0  0           0  0  0
    6.0683   -4.6215    0.0000 C   0  0  0  0  0  0           0  0  0
    6.0822   -3.7970    0.0000 C   0  0  0  0  0  0           0  0  0
    5.3752   -3.3738    0.0000 C   0  0  0  0  0  0           0  0  0
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    8.1889   -5.8955    0.0000 O   0  0  0  0  0  0           0  0  0
    9.5890   -7.5734    0.0000 N   0  0  3  0  0  0           0  0  0
   11.7209   -7.3003    0.0000 C   0  0  0  0  0  0           0  0  0
   10.9213   -7.5095    0.0000 C   0  0  0  0  0  0           0  0  0
   10.7081   -8.3048    0.0000 C   0  0  0  0  0  0           0  0  0
   11.2900   -8.8908    0.0000 C   0  0  0  0  0  0           0  0  0
   12.0829   -8.6798    0.0000 C   0  0  0  0  0  0           0  0  0
   12.6693   -9.2658    0.0000 C   0  0  0  0  0  0           0  0  0
   13.4691   -9.0521    0.0000 C   0  0  0  0  0  0           0  0  0
   13.6822   -8.2571    0.0000 C   0  0  0  0  0  0           0  0  0
   13.1003   -7.6708    0.0000 C   0  0  0  0  0  0           0  0  0
   12.3005   -7.8800    0.0000 C   0  0  0  0  0  0           0  0  0
   10.2326   -7.0584    0.0000 C   0  0  0  0  0  0           0  0  0
    9.8812   -8.3418    0.0000 C   0  0  0  0  0  0           0  0  0
    9.4346   -9.0353    0.0000 O   0  0  0  0  0  0           0  0  0
   14.4794   -8.0467    0.0000 N   0  0  3  0  0  0           0  0  0
   15.0595   -8.6316    0.0000 C   0  0  0  0  0  0           0  0  0
   14.6966   -7.2466    0.0000 C   0  0  0  0  0  0           0  0  0
   10.1914   -6.2353    0.0000 O   0  0  0  0  0  0           0  0  0
    3.9952   -0.8682    0.0000 N   0  0  0  0  0  0           0  0  0
    1.8776    0.4399    0.0000 C   0  0  0  0  0  0           0  0  0
    2.5497    0.0038    0.0000 N   0  0  3  0  0  0           0  0  0
    3.3108    0.3990    0.0000 C   0  0  3  0  0  0           0  0  0
    3.3326    1.2239    0.0000 C   0  0  0  0  0  0           0  0  0
    2.6248    1.6601    0.0000 C   0  0  0  0  0  0           0  0  0
    2.6493    2.4913    0.0000 C   0  0  0  0  0  0           0  0  0
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  3  2  1  1     0  0
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 10 11  2  0     0  0
  5 11  1  0     0  0
  1 12  2  0     0  0
 11 13  1  0     0  0
  6 14  1  0     0  0
 16 19  1  0     0  0
 23 24  1  0     0  0
 15 17  1  0     0  0
 24 25  1  0     0  0
 15 20  1  0     0  0
 25 26  1  0     0  0
 15 16  1  0     0  0
 21 27  1  0     0  0
 27 17  1  0     0  0
 16 18  2  0     0  0
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 30 31  2  0     0  0
 32 33  2  0     0  0
 33 34  1  0     0  0
 34 35  1  0     0  0
 35 36  2  0     0  0
 36 37  1  0     0  0
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 38 39  1  0     0  0
 30 39  1  0     0  0
 34 39  2  0     0  0
 31 32  1  0     0  0
 40 29  1  0     0  0
 29 41  1  0     0  0
 41 42  2  0     0  0
 31 40  1  0     0  0
 32 41  1  0     0  0
 48 49  1  0     0  0
 49 50  1  0     0  0
 50 51  1  0     0  0
 51 52  1  0     0  0
 52 53  1  0     0  0
 53 54  2  0     0  0
 54 55  1  0     0  0
 55 56  2  0     0  0
 56 57  1  0     0  0
 48 57  1  0     0  0
 52 57  2  0     0  0
 58 59  2  0     0  0
 58 47  1  0     0  0
 50 58  1  0     0  0
 21 22  1  0     0  0
 60 47  1  0     0  0
 37 43  1  0     0  0
 60 61  1  1     0  0
 20 29  1  0     0  0
 60 62  1  0     0  0
 62 26  1  0     0  0
 43 44  1  0     0  0
 62 63  2  0     0  0
 61 64  1  0     0  0
 43 45  1  0     0  0
 64 65  1  0     0  0
 22 23  1  0     0  0
 65 66  2  0     0  0
 40 46  2  0     0  0
 65 67  1  0     0  0
  1 49  1  0     0  0
M  ENDM  END

$$$$
D03BRM
  -OEChem-10191521412D

 52 55  0     0  0  0  0  0  0999 V2000
   10.4114   -0.5057    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   14.4950   -2.2990    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   13.1289   -1.9330    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   14.8610   -0.9330    0.0000 F   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
    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  0  0  0  0  0  0  0  0  0  0
    9.4651    0.7990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9950    0.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651   -0.2010    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
   11.9950    0.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 30 50  1  0  0  0  0
 31 51  1  0  0  0  0
M  END

$$$$
D03BSR
  -OEChem-10191522302D

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M  END

$$$$
D03BTJ
  -OEChem-10191521562D

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 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
M  END

$$$$
D03BUD
  -OEChem-10111523292D

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 21 23  2  0  0  0  0
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 22 23  1  0  0  0  0
 23 51  1  0  0  0  0
M  END

$$$$
D03BUG
  -OEChem-10101305022D

 28 31  0     1  0  0  0  0  0999 V2000
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 15 28  1  0  0  0  0
M  END

$$$$
D03BVC
  -OEChem-10101305022D

139142  0     1  0  0  0  0  0999 V2000
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M  END

$$$$
D03BVN
  -OEChem-10101305022D

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M  END

$$$$
D03BWH
  -OEChem-10101305022D

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 40 71  1  0  0  0  0
 40 72  1  0  0  0  0
 40 73  1  0  0  0  0
M  END

$$$$
D03BXA
  -OEChem-10191522292D

 47 50  0     0  0  0  0  0  0999 V2000
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 26 46  1  0  0  0  0
 27 47  1  0  0  0  0
M  END

$$$$
D03BZT
  -OEChem-10101305022D

 41 44  0     1  0  0  0  0  0999 V2000
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    2.5357   -1.6453    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 20 40  1  0  0  0  0
M  END

$$$$
D03BZV
  -OEChem-04152122282D

 44 47  0     0  0  0  0  0  0999 V2000
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 29 41  1  0  0  0  0
 30 42  1  0  0  0  0
M  END

$$$$
D03BZW
  -OEChem-10101305022D

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M  END

$$$$
D03BZY
  -OEChem-10101305022D

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    5.3259    6.7958    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    3.2074    7.6655    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9790    6.8190    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 14  1  0  0  0  0
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 18  3  1  6  0  0  0
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 25  5  1  6  0  0  0
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 15 52  1  0  0  0  0
 16 53  1  0  0  0  0
 16 54  1  0  0  0  0
 18 22  1  0  0  0  0
 18 55  1  0  0  0  0
 19 59  1  0  0  0  0
 19 60  1  0  0  0  0
 19 61  1  0  0  0  0
 20 56  1  0  0  0  0
 20 57  1  0  0  0  0
 20 58  1  0  0  0  0
 21 23  1  0  0  0  0
 21 27  2  0  0  0  0
 22 23  1  0  0  0  0
 22 63  1  0  0  0  0
 22 64  1  0  0  0  0
 23 28  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 25 65  1  0  0  0  0
 26 29  1  0  0  0  0
 26 66  1  0  0  0  0
 27 30  1  0  0  0  0
 27 67  1  0  0  0  0
 28 31  1  0  0  0  0
 28 68  1  0  0  0  0
 29 32  1  0  0  0  0
 29 69  1  0  0  0  0
 29 70  1  0  0  0  0
 30 31  2  0  0  0  0
 30 72  1  0  0  0  0
 31 74  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
 34 37  1  0  0  0  0
 34 76  1  0  0  0  0
 35 38  1  0  0  0  0
 35 77  1  0  0  0  0
 36 39  2  0  0  0  0
 36 78  1  0  0  0  0
 37 79  1  0  0  0  0
 37 80  1  0  0  0  0
 38 40  2  0  0  0  0
 38 82  1  0  0  0  0
 39 40  1  0  0  0  0
 39 83  1  0  0  0  0
 40 84  1  0  0  0  0
 41 42  1  0  0  0  0
 42 44  1  0  0  0  0
 42 85  1  0  0  0  0
 42 86  1  0  0  0  0
 43 87  1  0  0  0  0
 43 88  1  0  0  0  0
 43 89  1  0  0  0  0
 44 45  2  0  0  0  0
 44 46  1  0  0  0  0
 45 47  1  0  0  0  0
 45 90  1  0  0  0  0
 46 48  2  0  0  0  0
 46 91  1  0  0  0  0
 47 49  2  0  0  0  0
 47 92  1  0  0  0  0
 48 49  1  0  0  0  0
 48 93  1  0  0  0  0
 49 50  1  0  0  0  0
 50 94  1  0  0  0  0
 50 95  1  0  0  0  0
 50 96  1  0  0  0  0
M  END

$$$$
D03CAE
  -OEChem-10101305022D

 46 47  0     0  0  0  0  0  0999 V2000
    2.8660   -5.8450    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
    5.4641    1.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.1550    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
    4.5981    0.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    3.1550    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
    2.8660   -1.8450    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
    2.8660   -2.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    4.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    4.6550    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   -3.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    5.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    5.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    6.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -4.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -4.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -4.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6762    1.0724    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0747    1.7627    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3860    1.7376    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9875    1.0473    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2520    3.2376    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8535    2.5473    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8101   -0.4276    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2087    0.2627    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5422    2.5724    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9407    3.2627    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951   -0.0350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9441   -1.9276    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3426   -1.2373    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6540   -1.2624    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2554   -1.9527    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    4.3450    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9272    4.3450    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -3.0350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -3.0350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    5.9650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9272    5.9650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -4.6550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -4.6550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    6.7750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -6.1550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 21  1  0  0  0  0
  1 46  1  0  0  0  0
  2  6  1  0  0  0  0
  2  8  1  0  0  0  0
  2 32  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3 22  1  0  0  0  0
  3 23  1  0  0  0  0
  4  6  1  0  0  0  0
  4 24  1  0  0  0  0
  4 25  1  0  0  0  0
  5  7  1  0  0  0  0
  5 26  1  0  0  0  0
  5 27  1  0  0  0  0
  6 28  1  0  0  0  0
  6 29  1  0  0  0  0
  7 10  1  0  0  0  0
  7 30  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 11  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 13  1  0  0  0  0
 11 14  2  0  0  0  0
 11 15  1  0  0  0  0
 12 16  1  0  0  0  0
 12 37  1  0  0  0  0
 13 17  2  0  0  0  0
 13 38  1  0  0  0  0
 14 19  1  0  0  0  0
 14 39  1  0  0  0  0
 15 20  2  0  0  0  0
 15 40  1  0  0  0  0
 16 18  2  0  0  0  0
 16 41  1  0  0  0  0
 17 18  1  0  0  0  0
 17 42  1  0  0  0  0
 18 45  1  0  0  0  0
 19 21  2  0  0  0  0
 19 43  1  0  0  0  0
 20 21  1  0  0  0  0
 20 44  1  0  0  0  0
M  END

$$$$
D03CAJ
  -OEChem-10101305022D

 28 28  0     1  0  0  0  0  0999 V2000
    8.5863   -0.4594    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    7.5064   -1.8136    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2599   -0.3770    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5771   -0.5666    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.6554   -0.8248    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    5.1609    0.0569    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.3834    1.0318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7599    1.8136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7599    1.8136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9427   -0.5666    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1364    1.0318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3590    0.0569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8736   -0.2013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0915   -0.5592    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9420    0.7628    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7700    1.5165    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3185    2.0826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6220    2.4181    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8979    2.4181    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2013    2.0826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4779   -0.9769    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2660   -1.0957    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7499    1.5165    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5779    0.7628    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3385    0.2090    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5503    0.3277    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.3401    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6696   -1.1797    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  2  5  2  0  0  0  0
  3  6  1  0  0  0  0
  3 12  2  0  0  0  0
  4 12  1  0  0  0  0
  4 27  1  0  0  0  0
  4 28  1  0  0  0  0
  5 13  1  0  0  0  0
  6  7  1  0  0  0  0
  6 10  1  0  0  0  0
  6 14  1  0  0  0  0
  7  8  1  0  0  0  0
  7 15  1  0  0  0  0
  7 16  1  0  0  0  0
  8  9  1  0  0  0  0
  8 17  1  0  0  0  0
  8 18  1  0  0  0  0
  9 11  1  0  0  0  0
  9 19  1  0  0  0  0
  9 20  1  0  0  0  0
 10 13  1  0  0  0  0
 10 21  1  0  0  0  0
 10 22  1  0  0  0  0
 11 12  1  0  0  0  0
 11 23  1  0  0  0  0
 11 24  1  0  0  0  0
 13 25  1  0  0  0  0
 13 26  1  0  0  0  0
M  CHG  2   1  -1   5   1
M  END

$$$$
D03CBD
  -OEChem-04152109382D

 11 11  0     0  0  0  0  0  0999 V2000
    5.9019    0.1681    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5896    0.5282    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1249   -1.1191    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0929   -0.4197    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2839    0.1681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5929    1.1191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5929    1.1191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3328   -0.1410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2284    1.6207    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9573    1.6207    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.3366    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  8  1  0  0  0  0
  2 11  1  0  0  0  0
  3  8  2  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  6  7  2  0  0  0  0
  6  9  1  0  0  0  0
  7 10  1  0  0  0  0
M  END

$$$$
D03CBX
  -OEChem-10101305022D

 29 31  0     0  0  0  0  0  0999 V2000
    6.3301    2.2500    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    9.8602    1.2741    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    0.7500    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
    4.5981   -0.7500    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
    5.4641    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0901   -0.7847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0901    1.2847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9962    0.7708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9962   -0.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.2500    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
    2.8660   -0.7500    0.0000 C   0  0  0  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
    2.8660   -1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -1.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9272    1.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0829   -1.4046    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0829    1.9046    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5319   -0.5829    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -2.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -0.4400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3984    0.9662    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  2 13  1  0  0  0  0
  2 29  1  0  0  0  0
  3 19  2  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  4 20  1  0  0  0  0
  5  6  2  0  0  0  0
  5 11  1  0  0  0  0
  6  9  1  0  0  0  0
  6 12  1  0  0  0  0
  7  8  2  0  0  0  0
  7 10  1  0  0  0  0
  8 15  1  0  0  0  0
  8 16  1  0  0  0  0
  9 10  2  0  0  0  0
 10 21  1  0  0  0  0
 11 14  2  0  0  0  0
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 18 19  1  0  0  0  0
 18 28  1  0  0  0  0
M  END

$$$$
D03CCP
  -OEChem-10101305022D

 22 23  0     0  0  0  0  0  0999 V2000
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 10 12  2  0  0  0  0
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 11 14  3  0  0  0  0
 12 21  1  0  0  0  0
 13 15  1  0  0  0  0
 15 16  3  0  0  0  0
 16 22  1  0  0  0  0
M  END

$$$$
D03CDB
  -OEChem-10101305022D

117122  0     1  0  0  0  0  0999 V2000
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 63117  1  0  0  0  0
M  END

$$$$
D03CDH
  -OEChem-10101305032D

 41 44  0     0  0  0  0  0  0999 V2000
    6.3740    0.9192    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3856   -2.1500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6038    0.9087    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1340    0.8846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1179    1.9261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0159    2.4538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9180    1.9330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9100    0.8914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0000    0.3846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2679    0.3846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2679   -0.6154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0000   -0.6154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1340   -1.1154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3740   -1.1501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4679   -0.6363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6038   -1.1396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4679    0.4054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7359   -0.6429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8718   -1.1463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.3571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0038   -0.6496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8641    0.8537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.3504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8999    2.5065    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5088    1.8106    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4132    2.9298    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6150    2.9267    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5280    1.8222    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1316    2.5151    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1145    0.3061    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5216    0.9928    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5369   -0.9254    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.2071   -1.6161    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0042   -1.6130    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9260   -2.4538    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8742   -1.7663    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    1.4681   -0.9617    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8617    1.4737    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4619    0.6583    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
  1 17  1  0  0  0  0
  2 14  1  0  0  0  0
  2 36  1  0  0  0  0
  3 17  2  0  0  0  0
  4  5  1  0  0  0  0
  4  9  2  0  0  0  0
  4 10  1  0  0  0  0
  5  6  1  0  0  0  0
  5 24  1  0  0  0  0
  5 25  1  0  0  0  0
  6  7  1  0  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 28  1  0  0  0  0
  7 29  1  0  0  0  0
  8  9  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
 10 11  2  0  0  0  0
 11 13  1  0  0  0  0
 11 14  1  0  0  0  0
 12 13  2  0  0  0  0
 12 32  1  0  0  0  0
 13 33  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 16 34  1  0  0  0  0
 16 35  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 37  1  0  0  0  0
 20 22  2  0  0  0  0
 20 38  1  0  0  0  0
 21 23  2  0  0  0  0
 21 39  1  0  0  0  0
 22 23  1  0  0  0  0
 22 40  1  0  0  0  0
 23 41  1  0  0  0  0
M  END

$$$$
D03CDM
  -OEChem-10101305022D

 36 37  0     1  0  0  0  0  0999 V2000
    6.0174    0.2303    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7262   -1.7896    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    1.2649    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    1.2649    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8776   -0.2797    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.8660   -1.2796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0290    1.2302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    1.7649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7493    0.2102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    2.7649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9350    1.7441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0290    3.2995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9350    2.7857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    3.2649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7146   -2.7896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    1.7649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    2.7649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5748   -3.2995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3371   -0.5835    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    8.2898    0.5140    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    7.4708    3.0978    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    7.1053   -2.6748    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8660    3.0749    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2586   -3.8328    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1081   -3.6157    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8910   -2.7662    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.5749    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    0.6449    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
  2  6  1  0  0  0  0
  2 15  1  0  0  0  0
  3  8  1  0  0  0  0
  3 16  2  0  0  0  0
  4 16  1  0  0  0  0
  4 35  1  0  0  0  0
  4 36  1  0  0  0  0
  5  6  1  0  0  0  0
  5  9  1  0  0  0  0
  5 19  1  0  0  0  0
  6 20  1  0  0  0  0
  6 21  1  0  0  0  0
  7  8  1  0  0  0  0
  7 11  2  0  0  0  0
  8 10  2  0  0  0  0
  9 22  1  0  0  0  0
  9 23  1  0  0  0  0
  9 24  1  0  0  0  0
 10 12  1  0  0  0  0
 10 14  1  0  0  0  0
 11 13  1  0  0  0  0
 11 25  1  0  0  0  0
 12 13  2  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 28  1  0  0  0  0
 15 18  1  0  0  0  0
 15 29  1  0  0  0  0
 15 30  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
M  END

$$$$
D03CEP
  -OEChem-04152110182D

457463  0     1  0  0  0  0  0999 V2000
   19.5008   -9.2164    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   24.6969   -9.2164    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   30.7591  -10.7164    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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   15.8355   16.7804    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   31.3385   18.4098    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   10.8405    1.7836    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   14.3046   -3.2164    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   11.7065   -8.7164    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   19.5008   -3.2164    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.0988   -5.7164    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   22.9649  -13.2164    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.2328   -9.2164    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   27.2950  -13.7164    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.8309  -13.7164    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   24.6969  -10.2164    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   30.7591  -17.7164    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   29.0270  -14.7164    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   32.4911  -13.7164    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   10.7424    9.3458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   24.5528   16.6911    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   13.4386   -4.7164    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.0367   -4.2164    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   29.8931  -16.2164    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   29.8931  -19.2164    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   30.7591  -13.7164    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   32.4911  -11.7164    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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M  END

$$$$
D03CEZ
  -OEChem-10101305032D

 36 39  0     1  0  0  0  0  0999 V2000
    4.6681    2.1062    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    5.6561   -2.0839    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  1  3  1  0  0  0  0
  1 10  1  0  0  0  0
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 17 33  1  0  0  0  0
 17 34  1  0  0  0  0
 17 35  1  0  0  0  0
 18 36  1  0  0  0  0
M  END

$$$$
D03CKF
  -OEChem-10101305022D

 77 80  0     1  0  0  0  0  0999 V2000
   13.7953   -0.3906    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 34 12  1  1  0  0  0
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 29 33  1  0  0  0  0
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 38 40  2  0  0  0  0
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 39 41  2  0  0  0  0
 39 75  1  0  0  0  0
 40 41  1  0  0  0  0
 40 76  1  0  0  0  0
M  END

$$$$
D03CKG
  -OEChem-04152122272D

 30 31  0     0  0  0  0  0  0999 V2000
    3.4030    1.3393    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    1.8393    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 10 14  1  0  0  0  0
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 13 15  1  0  0  0  0
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 16 26  1  0  0  0  0
 17 27  1  0  0  0  0
 17 28  1  0  0  0  0
 17 29  1  0  0  0  0
M  END

$$$$
D03CKN
  -OEChem-10101305022D

 36 37  0     0  0  0  0  0  0999 V2000
    6.3301   -1.8100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.3100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 19 35  1  0  0  0  0
 19 36  1  0  0  0  0
M  END

$$$$
D03CPB
  -OEChem-10191522382D

 37 39  0     0  0  0  0  0  0999 V2000
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    2.0000   -4.7252    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END

$$$$
D03CSL
  -OEChem-10101305022D

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M  END

$$$$
D03CUH
  -OEChem-10191522002D

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    9.6963    4.6217    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9832   -2.6373    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2930   -2.2388    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7644    4.1041    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0051    3.3448    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3180   -3.9274    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.0083   -4.3260    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5558    3.6640    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1194    4.2276    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2671    5.1684    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3903    5.1684    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3903    4.2916    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.4832   -3.5033    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.7930   -3.1048    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.8180   -4.7934    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.5083   -5.1920    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.9832   -4.3693    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.2930   -3.9708    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.1649    5.0680    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4546    5.7942    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2187    1.4631    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.0955    1.4631    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.0955    2.3400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.3180   -5.6595    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.0083   -6.0580    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.4832   -5.2354    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.7930   -4.8368    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.5842    6.6328    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8738    7.3590    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4386    7.7783    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.8180   -6.5255    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.5083   -6.9240    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.9832   -6.1014    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.2930   -5.7029    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.3637   -7.4895    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.2106   -7.7164    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.4376   -6.8695    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 15  1  0  0  0  0
  2 19  1  0  0  0  0
 16  3  1  1  0  0  0
  3 25  1  0  0  0  0
 17  4  1  6  0  0  0
  4 58  1  0  0  0  0
  5 18  1  0  0  0  0
  5 59  1  0  0  0  0
  6 21  1  0  0  0  0
  6 62  1  0  0  0  0
  7 21  2  0  0  0  0
  8 22  1  0  0  0  0
  8 66  1  0  0  0  0
  9 22  2  0  0  0  0
 10 24  1  0  0  0  0
 10 67  1  0  0  0  0
 11 24  2  0  0  0  0
 28 12  1  6  0  0  0
 12 38  1  0  0  0  0
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 14 16  1  0  0  0  0
 14 18  1  0  0  0  0
 14 21  1  0  0  0  0
 15 17  1  0  0  0  0
 15 20  1  0  0  0  0
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 17 52  1  0  0  0  0
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 18 22  1  0  0  0  0
 19 24  1  0  0  0  0
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 20 23  1  0  0  0  0
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 20 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
 25 27  1  0  0  0  0
 25 60  1  0  0  0  0
 25 61  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 63  1  0  0  0  0
 27 64  1  0  0  0  0
 28 29  1  0  0  0  0
 28 65  1  0  0  0  0
 29 33  1  0  0  0  0
 29 34  1  6  0  0  0
 29 68  1  0  0  0  0
 30 32  1  0  0  0  0
 30 69  1  0  0  0  0
 30 70  1  0  0  0  0
 31 71  1  0  0  0  0
 31 72  1  0  0  0  0
 32 35  1  0  0  0  0
 32 73  1  0  0  0  0
 32 74  1  0  0  0  0
 33 36  1  0  0  0  0
 33 75  1  0  0  0  0
 33 76  1  0  0  0  0
 34 77  1  0  0  0  0
 34 78  1  0  0  0  0
 34 79  1  0  0  0  0
 35 37  1  0  0  0  0
 35 80  1  0  0  0  0
 35 81  1  0  0  0  0
 36 40  2  0  0  0  0
 36 41  1  0  0  0  0
 37 39  1  0  0  0  0
 37 82  1  0  0  0  0
 37 83  1  0  0  0  0
 38 42  1  0  0  0  0
 39 43  1  0  0  0  0
 39 84  1  0  0  0  0
 39 85  1  0  0  0  0
 40 45  1  0  0  0  0
 40 86  1  0  0  0  0
 41 46  2  0  0  0  0
 41 87  1  0  0  0  0
 42 88  1  0  0  0  0
 42 89  1  0  0  0  0
 42 90  1  0  0  0  0
 43 44  1  0  0  0  0
 43 91  1  0  0  0  0
 43 92  1  0  0  0  0
 44 48  1  0  0  0  0
 44 93  1  0  0  0  0
 44 94  1  0  0  0  0
 45 47  2  0  0  0  0
 45 95  1  0  0  0  0
 46 47  1  0  0  0  0
 46 96  1  0  0  0  0
 47 97  1  0  0  0  0
 48 49  1  0  0  0  0
 48 98  1  0  0  0  0
 48 99  1  0  0  0  0
 49 50  1  0  0  0  0
 49100  1  0  0  0  0
 49101  1  0  0  0  0
 50102  1  0  0  0  0
 50103  1  0  0  0  0
 50104  1  0  0  0  0
M  END

$$$$
D03CVQ
  -OEChem-10101305022D

 50 52  0     0  0  0  0  0  0999 V2000
    2.8660    1.2771    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    3.2771    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3580    3.3118    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641    1.7563    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.7771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0553   -1.7773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1951   -1.2674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    2.7771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3580    1.2425    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.2771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.7771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.7771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0437   -2.7773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    3.2771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2067   -0.2674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3465    0.2426    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1720   -3.2672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9039   -3.2873    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641    2.7980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.2771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    4.2771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1604   -4.2672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8924   -4.2872    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0206   -4.7771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.2229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    4.7771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6646   -1.8921    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2741   -1.1972    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5858   -1.1526    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9763   -1.8475    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.6571    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    3.8971    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7472    0.0363    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8060   -0.0612    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6387   -2.9510    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4444   -2.9835    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7998    3.1100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0781   -0.3055    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4766    0.3848    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4766    4.1695    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0781    4.8598    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6199   -4.5709    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4257   -4.6034    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0134   -5.3971    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900    0.3141    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -0.5329    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   -0.7598    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100    5.3141    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    5.0871    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900    4.2402    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  0  0  0  0
  1 20  1  0  0  0  0
  2 12  1  0  0  0  0
  2 21  1  0  0  0  0
  3  8  1  0  0  0  0
  3 19  2  0  0  0  0
  4  9  2  0  0  0  0
  4 19  1  0  0  0  0
  5  8  1  0  0  0  0
  5  9  1  0  0  0  0
  5 10  2  0  0  0  0
  6  7  1  0  0  0  0
  6 13  1  0  0  0  0
  6 27  1  0  0  0  0
  6 28  1  0  0  0  0
  7 15  1  0  0  0  0
  7 29  1  0  0  0  0
  7 30  1  0  0  0  0
  8 14  2  0  0  0  0
  9 16  1  0  0  0  0
 10 11  1  0  0  0  0
 10 31  1  0  0  0  0
 11 12  2  0  0  0  0
 12 14  1  0  0  0  0
 13 17  2  0  0  0  0
 13 18  1  0  0  0  0
 14 32  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 22  1  0  0  0  0
 17 35  1  0  0  0  0
 18 23  2  0  0  0  0
 18 36  1  0  0  0  0
 19 37  1  0  0  0  0
 20 25  1  0  0  0  0
 20 38  1  0  0  0  0
 20 39  1  0  0  0  0
 21 26  1  0  0  0  0
 21 40  1  0  0  0  0
 21 41  1  0  0  0  0
 22 24  2  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
 24 44  1  0  0  0  0
 25 45  1  0  0  0  0
 25 46  1  0  0  0  0
 25 47  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
M  END

$$$$
D03CVY
  -OEChem-10101305032D

 32 35  0     0  0  0  0  0  0999 V2000
    3.4782   -2.6627    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.9603   -1.2615    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.8147    2.8706    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3147   -1.6682    0.0000 N   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   -1.1682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1808   -1.1682    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
    6.1808   -0.1682    0.0000 C   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
    3.5827   -1.6682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0468   -1.6682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1237    1.9196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5057    1.9196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6691   -1.2615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1513   -2.6627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8147    2.8706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.0046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1294   -2.8706    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
    8.6294   -2.0046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9118    0.1418    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7177    0.1418    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7134    1.7280    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9160    1.7280    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5402   -0.6550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6906   -3.0776    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1792    3.3722    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3834   -1.9398    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3816   -3.4370    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
    9.2461   -1.9398    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  0  0  0  0
  1 20  1  0  0  0  0
  2 12  1  0  0  0  0
  2 21  1  0  0  0  0
  3 14  1  0  0  0  0
  3 17  1  0  0  0  0
  4  6  2  0  0  0  0
  4  7  1  0  0  0  0
  5  8  2  0  0  0  0
  5  9  1  0  0  0  0
  5 10  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
  7 12  1  0  0  0  0
  8 22  1  0  0  0  0
  9 23  1  0  0  0  0
 10 13  1  0  0  0  0
 10 14  2  0  0  0  0
 11 15  2  0  0  0  0
 12 16  2  0  0  0  0
 13 17  2  0  0  0  0
 13 24  1  0  0  0  0
 14 25  1  0  0  0  0
 15 18  1  0  0  0  0
 15 26  1  0  0  0  0
 16 19  1  0  0  0  0
 16 27  1  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 21  2  0  0  0  0
 19 30  1  0  0  0  0
 20 31  1  0  0  0  0
 21 32  1  0  0  0  0
M  END

$$$$
D03CWL
  -OEChem-10101305022D

 34 35  0     0  0  0  0  0  0999 V2000
    6.9635   -1.6027    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2693   -1.9628    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.3784    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8147    2.5808    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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M  END

$$$$
D03CYV
  -OEChem-04152109552D

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M  END

$$$$
D03CYY
  -OEChem-10101305022D

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 24 11  1  1  0  0  0
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 29 33  1  0  0  0  0
 29 55  1  0  0  0  0
 30 34  2  0  0  0  0
 30 56  1  0  0  0  0
 31 57  1  0  0  0  0
 31 58  1  0  0  0  0
 33 36  2  0  0  0  0
 33 60  1  0  0  0  0
 34 36  1  0  0  0  0
 34 61  1  0  0  0  0
 35 37  1  0  0  0  0
 35 62  1  0  0  0  0
 35 63  1  0  0  0  0
 36 64  1  0  0  0  0
 38 39  1  0  0  0  0
 38 69  1  0  0  0  0
 38 70  1  0  0  0  0
M  END

$$$$
D03DAM
  -OEChem-10101305022D

 33 33  0     0  0  0  0  0  0999 V2000
    3.8660    2.5950    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.1340   -1.4050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0000   -2.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.7320    0.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  3  2  0  0  0  0
  1  4  2  0  0  0  0
  1  6  1  0  0  0  0
  1 13  1  0  0  0  0
  2  8  2  0  0  0  0
  5  8  1  0  0  0  0
  5 12  1  0  0  0  0
  5 27  1  0  0  0  0
  6 32  1  0  0  0  0
  6 33  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 11  1  0  0  0  0
  9 23  1  0  0  0  0
  9 24  1  0  0  0  0
  9 25  1  0  0  0  0
 10 20  1  0  0  0  0
 10 21  1  0  0  0  0
 10 22  1  0  0  0  0
 11 18  1  0  0  0  0
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 13 16  2  0  0  0  0
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 14 28  1  0  0  0  0
 15 17  2  0  0  0  0
 15 29  1  0  0  0  0
 16 30  1  0  0  0  0
 17 31  1  0  0  0  0
M  END

$$$$
D03DBW
          10260700392D 1   1.00000     0.00000     0

 32 35  0     0  0            999 V2000
   -0.9759   -0.5690    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.9690   -1.4000    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.1862   -0.3069    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.6897   -0.1621    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.1759   -1.6517    0.0000 N   0  0  3  0  0  0           0  0  0
   -1.6862   -1.8138    0.0000 N   0  0  0  0  0  0           0  0  0
    0.3069   -0.9759    0.0000 C   0  0  0  0  0  0           0  0  0
    0.0655    0.4793    0.0000 C   0  0  0  0  0  0           0  0  0
   -2.4000   -0.5724    0.0000 N   0  0  0  0  0  0           0  0  0
   -1.6931    0.6655    0.0000 C   0  0  0  0  0  0           0  0  0
    0.0828   -2.4345    0.0000 C   0  0  0  0  0  0           0  0  0
   -2.4034   -1.4000    0.0000 C   0  0  0  0  0  0           0  0  0
    0.8724    0.6552    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.4655   -3.0517    0.0000 C   0  0  0  0  0  0           0  0  0
   -3.1172   -1.8138    0.0000 N   0  0  0  0  0  0           0  0  0
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    2.1759    2.4000    0.0000 C   0  0  0  0  0  0           0  0  0
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   -1.5586   -4.2828    0.0000 C   0  0  0  0  0  0           0  0  0
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    0.5000    4.2241    0.0000 C   0  0  0  0  0  0           0  0  0
    2.6759    3.9724    0.0000 C   0  0  0  0  0  0           0  0  0
  1  2  1  0     0  0
  1  3  1  0     0  0
  1  4  2  0     0  0
  2  5  1  0     0  0
  2  6  2  0     0  0
  3  7  2  0     0  0
  3  8  1  0     0  0
  4  9  1  0     0  0
  4 10  1  0     0  0
  5 11  1  0     0  0
  6 12  1  0     0  0
  8 13  1  0     0  0
 11 14  1  0     0  0
 12 15  1  0     0  0
 13 16  1  0     0  0
 14 17  2  0     0  0
 14 18  1  0     0  0
 16 19  2  0     0  0
 16 20  1  0     0  0
 17 21  1  0     0  0
 18 22  2  0     0  0
 19 23  1  0     0  0
 20 24  2  0     0  0
 21 25  2  0     0  0
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 27 30  1  0     0  0
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 29 32  1  0     0  0
  5  7  1  0     0  0
  9 12  2  0     0  0
 22 25  1  0     0  0
 24 26  1  0     0  0
M  END

$$$$
D03DCE
  -OEChem-10191521442D

 44 45  0     0  0  0  0  0  0999 V2000
    2.8660   -4.1900    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    3.3100    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   -4.6900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3660   -5.0560    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3660   -3.3240    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.1900    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.6900    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
    6.3301    0.8100    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
    7.1962    0.3100    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
    3.7320   -2.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.6900    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
    8.0622    1.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.3312    3.5000    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
   10.3312    5.1200    0.0000 H   0  0  0  0  0  0  0  0  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
  1 16  1  0  0  0  0
  2 14  1  0  0  0  0
  2 19  1  0  0  0  0
  3 15  2  0  0  0  0
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  8  9  1  0  0  0  0
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  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 29  1  0  0  0  0
 10 30  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 12 14  1  0  0  0  0
 12 32  1  0  0  0  0
 13 17  2  0  0  0  0
 13 33  1  0  0  0  0
 14 18  2  0  0  0  0
 15 16  1  0  0  0  0
 16 34  1  0  0  0  0
 16 35  1  0  0  0  0
 17 18  1  0  0  0  0
 17 36  1  0  0  0  0
 18 37  1  0  0  0  0
 19 20  2  0  0  0  0
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 20 22  1  0  0  0  0
 20 38  1  0  0  0  0
 21 23  2  0  0  0  0
 21 39  1  0  0  0  0
 22 24  2  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
 24 44  1  0  0  0  0
M  END

$$$$
D03DDL
  -OEChem-10101305022D

 49 51  0     0  0  0  0  0  0999 V2000
    8.5458    4.4409    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.3211    2.6655    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783   -0.6388    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9889   -1.5893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2619    0.1659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.3341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END

$$$$
D03DEJ
  -OEChem-10191521432D

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M  END

$$$$
D03DEO
  -OEChem-04152109002D

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    2.0000   -1.4488    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7924    2.6746    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
 14  1  1  1  0  0  0
  1 55  1  0  0  0  0
  2 23  2  0  0  0  0
  3 25  1  0  0  0  0
  3 56  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 13  1  0  0  0  0
  5 16  1  1  0  0  0
  6  9  1  0  0  0  0
  6 10  1  0  0  0  0
  6 27  1  6  0  0  0
  7  8  1  0  0  0  0
  7 11  1  0  0  0  0
  7 12  1  0  0  0  0
  7 18  1  1  0  0  0
  8 17  1  0  0  0  0
  8 28  1  6  0  0  0
  9 14  1  0  0  0  0
  9 20  1  0  0  0  0
  9 21  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 19  1  0  0  0  0
 12 22  1  6  0  0  0
 12 23  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 15  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
 16 40  1  0  0  0  0
 17 24  2  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 24  1  0  0  0  0
 19 25  2  0  0  0  0
 20 45  1  0  0  0  0
 20 46  1  0  0  0  0
 20 47  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 26  1  0  0  0  0
 24 54  1  0  0  0  0
 25 26  1  0  0  0  0
M  END

$$$$
D03DET
  -OEChem-10191522412D

 59 63  0     0  0  0  0  0  0999 V2000
    8.9962    1.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321   -1.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641   -0.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9061   -2.7153    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.7561    4.7847    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981   -1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660   -1.7500    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
    4.6660   -2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1301    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000   -3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321   -3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000   -4.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.8622    3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.2292    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
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   10.7561    2.7153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.9962    4.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6622    3.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6622    4.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5263    4.7742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9996   -2.2250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7966   -2.2250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3200    0.3326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9215   -0.3577    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7966    0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9996    0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4762   -1.8326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8747   -1.1423    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4540   -1.1674    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0555   -1.8577    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3422   -0.3326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7407    0.3577    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9181    1.8326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5196    1.1423    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0690   -4.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660   -5.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9132   -5.4046    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5932    2.9400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4643   -2.9171    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4643   -4.5829    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7490    2.0954    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5932    4.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9962    5.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.1979    2.9171    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.8384    4.2384    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.0620    5.0862    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.2142    5.3099    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  1  0  0  0  0
  1 19  1  0  0  0  0
  2  6  1  0  0  0  0
  2  7  1  0  0  0  0
  2 10  1  0  0  0  0
  3  8  1  0  0  0  0
  3  9  1  0  0  0  0
  3 11  1  0  0  0  0
  4 14  1  0  0  0  0
  4 22  2  0  0  0  0
  5 25  1  0  0  0  0
  5 30  2  0  0  0  0
  6  8  1  0  0  0  0
  6 32  1  0  0  0  0
  6 33  1  0  0  0  0
  7  9  1  0  0  0  0
  7 34  1  0  0  0  0
  7 35  1  0  0  0  0
  8 38  1  0  0  0  0
  8 39  1  0  0  0  0
  9 36  1  0  0  0  0
  9 37  1  0  0  0  0
 10 12  1  0  0  0  0
 10 40  1  0  0  0  0
 10 41  1  0  0  0  0
 11 13  1  0  0  0  0
 11 42  1  0  0  0  0
 11 43  1  0  0  0  0
 12 14  1  0  0  0  0
 12 15  2  0  0  0  0
 13 44  1  0  0  0  0
 13 45  1  0  0  0  0
 14 16  2  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  0  0  0  0
 17 18  2  0  0  0  0
 17 47  1  0  0  0  0
 18 48  1  0  0  0  0
 19 21  1  0  0  0  0
 19 23  2  0  0  0  0
 20 24  2  0  0  0  0
 20 49  1  0  0  0  0
 21 25  2  0  0  0  0
 21 26  1  0  0  0  0
 22 24  1  0  0  0  0
 22 51  1  0  0  0  0
 23 27  1  0  0  0  0
 23 50  1  0  0  0  0
 24 52  1  0  0  0  0
 25 28  1  0  0  0  0
 26 29  2  0  0  0  0
 26 53  1  0  0  0  0
 27 28  2  0  0  0  0
 27 54  1  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 31  1  0  0  0  0
 31 57  1  0  0  0  0
 31 58  1  0  0  0  0
 31 59  1  0  0  0  0
M  END

$$$$
D03DEX
  -OEChem-10101305032D

 55 58  0     1  0  0  0  0  0999 V2000
    5.9134    4.2464    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
    6.2765    5.9400    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    5.2686    0.7933    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6146   -0.2986    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6183    1.8770    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2208    3.2949    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6061    5.1980    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8650    4.5538    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9618    3.9391    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9469    6.6820    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5345    6.6104    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0185    5.2696    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5443   -0.9673    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5443   -2.5767    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.7720    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.7720    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.2720    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8066    0.2906    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.8083    1.2906    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.8550   -0.0167    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.8578    1.6013    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.5504    2.5529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.2720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1279   -1.7720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.2720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.7720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.2720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -4.2720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -5.2720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -5.7720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -5.7720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -6.7720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -6.7720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -7.2720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3595    0.5711    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7124    1.9032    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    5.2456    1.6993    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    5.0025    2.2628    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1814   -0.0474    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1843    1.6238    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7479   -1.7720    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -0.9620    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -4.0820    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6540   -3.6894    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    7.3250    4.1382    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -5.4620    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -5.4620    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -7.0820    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -7.0820    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -7.8920    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7563    7.2720    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9445    6.4199    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  7  1  0  0  0  0
  1  8  1  0  0  0  0
  1  9  2  0  0  0  0
  2  7  1  0  0  0  0
  2 10  1  0  0  0  0
  2 11  1  0  0  0  0
  2 12  2  0  0  0  0
  3 20  1  0  0  0  0
  3 21  1  0  0  0  0
 18  4  1  1  0  0  0
  4 41  1  0  0  0  0
 19  5  1  1  0  0  0
  5 42  1  0  0  0  0
  6 22  1  0  0  0  0
  8 48  1  0  0  0  0
 10 54  1  0  0  0  0
 11 55  1  0  0  0  0
 20 13  1  6  0  0  0
 13 23  1  0  0  0  0
 13 24  1  0  0  0  0
 14 24  2  0  0  0  0
 14 25  1  0  0  0  0
 15 23  1  0  0  0  0
 15 27  2  0  0  0  0
 16 26  1  0  0  0  0
 16 28  1  0  0  0  0
 16 45  1  0  0  0  0
 17 26  2  0  0  0  0
 17 27  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 18 35  1  0  0  0  0
 19 21  1  0  0  0  0
 19 36  1  0  0  0  0
 20 37  1  0  0  0  0
 21 22  1  6  0  0  0
 21 38  1  0  0  0  0
 22 39  1  0  0  0  0
 22 40  1  0  0  0  0
 23 25  2  0  0  0  0
 24 43  1  0  0  0  0
 25 26  1  0  0  0  0
 27 44  1  0  0  0  0
 28 29  1  0  0  0  0
 28 46  1  0  0  0  0
 28 47  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 49  1  0  0  0  0
 31 33  2  0  0  0  0
 31 50  1  0  0  0  0
 32 34  2  0  0  0  0
 32 51  1  0  0  0  0
 33 34  1  0  0  0  0
 33 52  1  0  0  0  0
 34 53  1  0  0  0  0
M  END

$$$$
D03DFG
  -OEChem-10101305022D

 58 58  0     0  0  0  0  0  0999 V2000
    2.8090    5.4492    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.3122    6.3970    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3090    6.9880    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3090    6.9880    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.3424   -3.6934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1345   -2.7153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8870    3.1536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0949    2.1754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5993   -4.3626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8776   -2.0462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9360    3.4626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 21 57  1  0  0  0  0
 22 23  1  0  0  0  0
 24 58  1  0  0  0  0
M  END

$$$$
D03DGP
  -OEChem-10101305022D

 45 48  0     0  0  0  0  0  0999 V2000
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M  END

$$$$
D03DIP
  -OEChem-10101305022D

 59 63  0     0  0  0  0  0  0999 V2000
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  9 33  1  0  0  0  0
  9 34  1  0  0  0  0
 10 12  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
 13 18  2  0  0  0  0
 14 19  2  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 22  1  0  0  0  0
 18 21  1  0  0  0  0
 18 38  1  0  0  0  0
 19 23  1  0  0  0  0
 19 39  1  0  0  0  0
 20 24  2  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 26  2  0  0  0  0
 22 42  1  0  0  0  0
 23 43  1  0  0  0  0
 24 26  1  0  0  0  0
 25 27  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
 27 30  1  0  0  0  0
 27 47  1  0  0  0  0
 27 48  1  0  0  0  0
 28 32  1  0  0  0  0
 28 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
 29 52  1  0  0  0  0
 31 54  1  0  0  0  0
 31 58  1  0  0  0  0
 31 59  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

$$$$
D03DIV
  -OEChem-10101305022D

 35 36  0     0  0  0  0  0  0999 V2000
    2.0000    0.4827    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.3660   -0.8834    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.3660    0.8487    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.5173    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.0173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -0.5173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.5173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -0.0173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.0173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282   -0.5173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942   -0.0173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    0.9827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942    0.9827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    1.4827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.5173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6882   -0.5520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6882    1.5173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5942   -0.0381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5942    1.0035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.0173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7287    0.4576    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9316    0.4576    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7976   -0.9923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5947   -0.9923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0656   -0.9923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8626   -0.9923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9966    0.4576    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1996    0.4576    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282   -1.1373    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5252    1.2927    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    2.1027    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6810   -1.1720    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6810    2.1373    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.1300   -0.3502    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.1300    1.3156    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 20  1  0  0  0  0
  4 15  2  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 21  1  0  0  0  0
  5 22  1  0  0  0  0
  6  8  1  0  0  0  0
  6 23  1  0  0  0  0
  6 24  1  0  0  0  0
  7  9  1  0  0  0  0
  7 25  1  0  0  0  0
  7 26  1  0  0  0  0
  8 10  2  0  0  0  0
  8 12  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 11  1  0  0  0  0
 10 29  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 30  1  0  0  0  0
 13 14  1  0  0  0  0
 13 17  2  0  0  0  0
 14 31  1  0  0  0  0
 15 20  1  0  0  0  0
 16 18  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 34  1  0  0  0  0
 19 35  1  0  0  0  0
M  END

$$$$
D03DJC
  -OEChem-10101305022D

 36 38  0     0  0  0  0  0  0999 V2000
    8.9282   -1.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    2.2500    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
    2.8660    0.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -0.2500    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   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -2.2500    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    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
    5.4641    1.2500    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
    2.8660   -0.2500    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
    2.0000   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.2500    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
    8.4607    0.2249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6636    0.2249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5856   -1.6423    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9841   -2.3326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5388   -0.8577    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1403   -0.1674    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6636   -2.7250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4607   -2.7250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    1.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0611    1.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -2.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -0.4400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.8700    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
    2.3291    1.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    1.0600    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 12  1  0  0  0  0
  3 14  2  0  0  0  0
  4  6  1  0  0  0  0
  4  7  1  0  0  0  0
  4 10  1  0  0  0  0
  5 16  1  0  0  0  0
  5 35  1  0  0  0  0
  5 36  1  0  0  0  0
  6  8  1  0  0  0  0
  6 21  1  0  0  0  0
  6 22  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 27  1  0  0  0  0
  9 28  1  0  0  0  0
 10 11  2  0  0  0  0
 11 14  1  0  0  0  0
 11 29  1  0  0  0  0
 12 13  1  0  0  0  0
 12 15  2  0  0  0  0
 13 16  1  0  0  0  0
 13 17  2  0  0  0  0
 14 15  1  0  0  0  0
 15 30  1  0  0  0  0
 16 18  2  0  0  0  0
 17 19  1  0  0  0  0
 17 31  1  0  0  0  0
 18 20  1  0  0  0  0
 18 32  1  0  0  0  0
 19 20  2  0  0  0  0
 19 33  1  0  0  0  0
 20 34  1  0  0  0  0
M  END

$$$$
D03DJR
  -OEChem-10191522342D

 44 47  0     0  0  0  0  0  0999 V2000
    5.4641    0.2734    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0920    2.1394    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.7734    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0084    2.0782    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.0807    0.3043    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    0.7734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5920    1.2734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    1.7734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0920    0.4074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0084    0.4687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5920    1.2734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2899   -0.6675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4239   -1.1675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6869   -0.5004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    0.2734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    2.2734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.7734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    1.7734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1560   -1.1675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4239   -2.1675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1560   -2.1675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2899   -2.6675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.2734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.7734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.7734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.2734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2010   -0.1206    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2010    2.6675    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.4948    0.7658    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0802   -0.6282    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -0.3466    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    2.8934    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7932    2.0834    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.6929   -0.8575    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8870   -2.4775    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.6929   -2.4775    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.2899   -3.2875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3335   -0.2015    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1306   -0.2015    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2646    1.2484    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4675    1.2484    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900    0.8104    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -0.0366    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   -0.2635    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 17  1  0  0  0  0
  1 25  1  0  0  0  0
  2 11  2  0  0  0  0
  3 25  2  0  0  0  0
  4  7  1  0  0  0  0
  4  8  1  0  0  0  0
  4 28  1  0  0  0  0
  5  9  1  0  0  0  0
  5 12  1  0  0  0  0
  5 29  1  0  0  0  0
  6  8  2  0  0  0  0
  6 10  1  0  0  0  0
  6 15  1  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 11  1  0  0  0  0
  9 14  2  0  0  0  0
 10 27  1  0  0  0  0
 12 13  1  0  0  0  0
 12 19  2  0  0  0  0
 13 14  1  0  0  0  0
 13 20  2  0  0  0  0
 14 30  1  0  0  0  0
 15 17  2  0  0  0  0
 15 31  1  0  0  0  0
 16 18  2  0  0  0  0
 16 32  1  0  0  0  0
 17 18  1  0  0  0  0
 18 33  1  0  0  0  0
 19 21  1  0  0  0  0
 19 34  1  0  0  0  0
 20 22  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 24  1  0  0  0  0
 23 25  1  0  0  0  0
 23 38  1  0  0  0  0
 23 39  1  0  0  0  0
 24 26  1  0  0  0  0
 24 40  1  0  0  0  0
 24 41  1  0  0  0  0
 26 42  1  0  0  0  0
 26 43  1  0  0  0  0
 26 44  1  0  0  0  0
M  END

$$$$
D03DKN
  -OEChem-10191521392D

 81 86  0     1  0  0  0  0  0999 V2000
    8.4752    1.1277    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   10.1980    1.3058    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
   11.6011    2.3214    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
   13.0041    3.3371    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
   14.4071    4.3527    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   10.2396   -1.4069    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9405   -0.6367    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9774   -2.6631    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6844    1.6255    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7352   -3.9449    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4026   -0.1323    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6651    0.5413    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0615    0.3177    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2852    1.7141    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8888    1.9378    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6063    2.2186    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1109    0.8975    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    9.7897    0.3930    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.5958    2.4242    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4982    3.3161    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   11.7039    1.3267    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.4124    4.2499    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.9169    2.9288    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   12.0912    3.7454    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.4018    4.4555    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   14.3043    5.3474    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   14.5099    3.3580    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   11.4975   -2.6692    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   11.3022   -4.4814    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   14.3022   -4.4814    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    4.9917    0.6739    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.9422    0.3633    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.2396   -1.4052    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.4026   -0.1341    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    9.7370   -2.9449    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.9889   -0.9441    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.5470   -2.3585    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.6532   -0.5951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7523    0.9497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.1994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8022   -3.6154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3022   -2.0856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2619   -2.6994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.1994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8022   -3.6154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.6994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3022   -4.4814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.1994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8022   -5.3474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4913   -1.9165    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4309    1.1116    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5220   -0.8532    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4942    0.0808    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1840   -3.2254    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1201   -0.6860    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9861   -1.9209    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4266   -1.3833    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0999    1.4631    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3070    1.3811    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1398   -0.2476    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2218   -1.0404    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1000    2.0856    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8474   -3.2693    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0935    0.4051    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    5.8819   -2.6994    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.3022   -1.4656    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -1.8894    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4922   -5.8844    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   14.6122   -5.0184    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.6122   -3.9445    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  1  0  0  0  0
  1 13  1  0  0  0  0
  1 14  1  0  0  0  0
  1 15  2  0  0  0  0
  2 14  1  0  0  0  0
  2 16  1  0  0  0  0
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  2 18  2  0  0  0  0
  3 16  1  0  0  0  0
  3 19  1  0  0  0  0
  3 20  1  0  0  0  0
  3 21  2  0  0  0  0
  4 19  1  0  0  0  0
  4 22  1  0  0  0  0
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  5 22  1  0  0  0  0
  5 25  1  0  0  0  0
  5 26  1  0  0  0  0
  5 27  2  0  0  0  0
  6 41  1  0  0  0  0
  6 45  1  0  0  0  0
  7 40  1  0  0  0  0
  7 44  1  0  0  0  0
  8 38  1  0  0  0  0
  8 71  1  0  0  0  0
  9 39  1  0  0  0  0
  9 70  1  0  0  0  0
 10 43  1  0  0  0  0
 10 73  1  0  0  0  0
 11 42  1  0  0  0  0
 11 72  1  0  0  0  0
 12 47  1  0  0  0  0
 13 46  1  0  0  0  0
 44 28  1  1  0  0  0
 28 48  1  0  0  0  0
 28 51  1  0  0  0  0
 45 29  1  1  0  0  0
 29 49  1  0  0  0  0
 29 50  1  0  0  0  0
 30 51  2  0  0  0  0
 30 52  1  0  0  0  0
 31 50  2  0  0  0  0
 31 53  1  0  0  0  0
 32 48  2  0  0  0  0
 32 56  1  0  0  0  0
 33 49  2  0  0  0  0
 33 57  1  0  0  0  0
 34 54  1  0  0  0  0
 34 56  2  0  0  0  0
 35 55  1  0  0  0  0
 35 57  2  0  0  0  0
 36 55  1  0  0  0  0
 36 80  1  0  0  0  0
 36 81  1  0  0  0  0
 37 54  1  0  0  0  0
 37 78  1  0  0  0  0
 37 79  1  0  0  0  0
 38 41  1  0  0  0  0
 38 43  1  0  0  0  0
 38 58  1  0  0  0  0
 39 40  1  0  0  0  0
 39 42  1  0  0  0  0
 39 59  1  0  0  0  0
 40 47  1  1  0  0  0
 40 61  1  0  0  0  0
 41 46  1  1  0  0  0
 41 60  1  0  0  0  0
 42 44  1  0  0  0  0
 42 63  1  0  0  0  0
 43 45  1  0  0  0  0
 43 62  1  0  0  0  0
 44 65  1  0  0  0  0
 45 64  1  0  0  0  0
 46 68  1  0  0  0  0
 46 69  1  0  0  0  0
 47 66  1  0  0  0  0
 47 67  1  0  0  0  0
 48 52  1  0  0  0  0
 49 53  1  0  0  0  0
 50 75  1  0  0  0  0
 51 74  1  0  0  0  0
 52 54  2  0  0  0  0
 53 55  2  0  0  0  0
 56 76  1  0  0  0  0
 57 77  1  0  0  0  0
M  CHG  5  17  -1  20  -1  23  -1  25  -1  26  -1
M  END

$$$$
D03DKZ
  -OEChem-10121500052D

 37 39  0     0  0  0  0  0  0999 V2000
    2.0000   -0.8877    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.3660   -2.2537    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.3660   -0.5217    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.8600   -0.8877    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.8877    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5870   -2.6430    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5010    1.6924    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2764   -0.0830    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.3877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5870    0.8676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.8762    2.0243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2334    0.3295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8547    2.2305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2119    0.5357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5225    1.4862    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
   11.8117    2.6430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5664    1.4872    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    5.4641   -2.5077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0611   -0.0777    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4621    2.4858    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0407   -0.2599    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0473    2.8198    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6259    0.0742    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.4010    2.4503    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.0043    3.2323    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2224    2.8356    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 24  1  0  0  0  0
  2 24  1  0  0  0  0
  3 24  1  0  0  0  0
  4 12  2  0  0  0  0
  5 17  1  0  0  0  0
  5 24  1  0  0  0  0
  6 13  2  0  0  0  0
  7 23  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  1  0  0  0  0
  9 11  2  0  0  0  0
  9 15  1  0  0  0  0
 10 14  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 16  1  0  0  0  0
 12 13  1  0  0  0  0
 14 19  2  0  0  0  0
 14 20  1  0  0  0  0
 15 18  2  0  0  0  0
 15 28  1  0  0  0  0
 16 17  2  0  0  0  0
 16 29  1  0  0  0  0
 17 18  1  0  0  0  0
 18 30  1  0  0  0  0
 19 21  1  0  0  0  0
 19 31  1  0  0  0  0
 20 22  2  0  0  0  0
 20 32  1  0  0  0  0
 21 23  2  0  0  0  0
 21 33  1  0  0  0  0
 22 23  1  0  0  0  0
 22 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

$$$$
D03DLD
  -OEChem-10101305022D

 75 77  0     1  0  0  0  0  0999 V2000
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    2.6540   -2.7624    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2554   -3.4527    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0420    0.6919    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951    0.4650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4220   -0.3819    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    0.5350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5252    2.9650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    5.8450    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9272    5.8450    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -3.0350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -3.9650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3312    1.3450    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    3.7750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -4.5350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -4.5350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3312    2.9650    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
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    7.7331    7.4650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9272    7.4650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.3291   -7.6550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 14  2  0  0  0  0
  2 17  2  0  0  0  0
  3 22  2  0  0  0  0
  4 24  2  0  0  0  0
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 11  6  1  6  0  0  0
  6 17  1  0  0  0  0
  6 45  1  0  0  0  0
 13  7  1  6  0  0  0
  7 14  1  0  0  0  0
  7 47  1  0  0  0  0
 15  8  1  1  0  0  0
  8 22  1  0  0  0  0
  8 51  1  0  0  0  0
 19  9  1  1  0  0  0
  9 61  1  0  0  0  0
  9 62  1  0  0  0  0
 10 24  1  0  0  0  0
 10 68  1  0  0  0  0
 10 69  1  0  0  0  0
 11 12  1  0  0  0  0
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 11 41  1  0  0  0  0
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 13 44  1  0  0  0  0
 15 17  1  0  0  0  0
 15 23  1  0  0  0  0
 15 46  1  0  0  0  0
 16 21  1  0  0  0  0
 16 48  1  0  0  0  0
 16 49  1  0  0  0  0
 18 25  2  0  0  0  0
 18 26  1  0  0  0  0
 19 20  1  0  0  0  0
 19 22  1  0  0  0  0
 19 50  1  0  0  0  0
 20 27  1  0  0  0  0
 20 52  1  0  0  0  0
 20 53  1  0  0  0  0
 21 28  2  0  0  0  0
 21 29  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
 25 30  1  0  0  0  0
 25 57  1  0  0  0  0
 26 31  2  0  0  0  0
 26 58  1  0  0  0  0
 27 32  2  0  0  0  0
 27 33  1  0  0  0  0
 28 35  1  0  0  0  0
 28 59  1  0  0  0  0
 29 36  2  0  0  0  0
 29 60  1  0  0  0  0
 30 34  2  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 38  1  0  0  0  0
 32 65  1  0  0  0  0
 33 39  2  0  0  0  0
 33 66  1  0  0  0  0
 34 67  1  0  0  0  0
 35 37  2  0  0  0  0
 35 70  1  0  0  0  0
 36 37  1  0  0  0  0
 36 71  1  0  0  0  0
 37 72  1  0  0  0  0
 38 40  2  0  0  0  0
 38 73  1  0  0  0  0
 39 40  1  0  0  0  0
 39 74  1  0  0  0  0
M  END

$$$$
D03DLZ
  -OEChem-10101305032D

 30 31  0     1  0  0  0  0  0999 V2000
    6.2781    1.7466    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    4.6783   -1.9702    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9889    0.5898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783   -0.3607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9674    0.7961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.6654    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
    5.2619   -1.1654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.1654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.1654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2566    1.9528    0.0000 C  -1  0  0  0  0  0  0  0  0  0  0  0
    5.6103    2.4909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.6654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.6654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9684    1.2095    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3751    0.6772    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9880    0.1764    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5812    0.7087    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8819   -1.1654    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8709   -2.5595    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.4546    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.7854    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8633    2.0806    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1288    2.5595    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3845    1.3461    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0717    2.9049    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1962    2.9524    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1488    2.0768    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -0.3554    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -1.9754    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1 11  1  0  0  0  0
  1 12  1  0  0  0  0
  2  7  1  0  0  0  0
  2  8  1  0  0  0  0
  2 20  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3 15  1  0  0  0  0
  3 16  1  0  0  0  0
  4  6  1  0  0  0  0
  4  8  2  0  0  0  0
  5 17  1  0  0  0  0
  5 18  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
  8 19  1  0  0  0  0
  9 13  1  0  0  0  0
  9 21  1  0  0  0  0
 10 14  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 25  1  0  0  0  0
 12 26  1  0  0  0  0
 12 27  1  0  0  0  0
 12 28  1  0  0  0  0
 13 14  2  0  0  0  0
 13 29  1  0  0  0  0
 14 30  1  0  0  0  0
M  ISO  1  11  11
M  END

$$$$
D03DMA
  -OEChem-10101305022D

 44 45  0     0  0  0  0  0  0999 V2000
    8.9282   -0.7073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.4202   -0.7420    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.1904   -0.7315    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.2073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.7073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.2073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.7073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.2073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.7073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.7927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -0.7073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -0.2073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.7927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942   -0.2073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5263    0.7927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5263   -0.2073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603   -0.7073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942    0.7927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603    1.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4202    1.3273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3263    0.8135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3263   -0.2281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.8273    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0656   -1.1823    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8626   -1.1823    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.3273    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.4127    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -0.1704    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4860    0.7927    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.4127    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2460    0.7927    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -1.0173    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   -1.2443    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -1.3273    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4607    0.2676    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6636    0.2676    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9501    0.7927    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    1.4127    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7101    0.7927    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603   -1.3273    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2573    1.1027    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603    1.9127    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.4131    1.9473    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.8620    1.1256    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  1  0  0  0  0
  1 14  1  0  0  0  0
  2 16  1  0  0  0  0
  2 22  1  0  0  0  0
  3 22  2  0  0  0  0
  4  7  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  1  0  0  0  0
  4 23  1  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  5 24  1  0  0  0  0
  5 25  1  0  0  0  0
  6 11  2  0  0  0  0
  6 13  1  0  0  0  0
  7  8  2  0  0  0  0
  7 26  1  0  0  0  0
  8 27  1  0  0  0  0
  9 28  1  0  0  0  0
  9 32  1  0  0  0  0
  9 33  1  0  0  0  0
 10 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 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
 13 39  1  0  0  0  0
 14 17  2  0  0  0  0
 14 18  1  0  0  0  0
 15 16  2  0  0  0  0
 15 19  1  0  0  0  0
 15 20  1  0  0  0  0
 16 17  1  0  0  0  0
 17 40  1  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 21  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
M  END

$$$$
D03DMN
  -OEChem-10101305022D

 50 54  0     1  0  0  0  0  0999 V2000
    9.7248   -0.3112    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5596   -2.5737    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2860   -1.3999    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9654    2.1163    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    4.5124    0.9988    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.3170    0.9273    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.6200    0.1532    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.2962    1.3731    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.6028    0.3776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9875    1.9154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3816    0.7181    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.3181    1.5810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6564    3.0673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0091    2.5321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6782    3.2752    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9393   -0.8837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0150    2.5295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0421    1.4689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9988   -1.1175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7086    1.5838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2616   -1.6191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3334    3.3090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6994    1.3521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3191    3.1007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.1156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8820   -3.3090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.5748   -0.2417    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6005    2.0080    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    9.9893    0.5950    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2703    3.1536    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6780    3.6869    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9105    3.8501    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1524    3.6038    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   10.5076    1.0594    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 19  1  0  0  0  0
  2 21  1  0  0  0  0
  2 26  1  0  0  0  0
  3 21  2  0  0  0  0
  4  8  1  0  0  0  0
  4 10  1  0  0  0  0
  4 13  1  0  0  0  0
  5 12  1  0  0  0  0
  5 20  1  0  0  0  0
  5 39  1  0  0  0  0
  6  7  1  0  0  0  0
  6 10  1  0  0  0  0
  6 11  1  0  0  0  0
  6 27  1  6  0  0  0
  7  9  1  0  0  0  0
  7 16  1  0  0  0  0
  7 28  1  6  0  0  0
  8  9  1  0  0  0  0
  8 12  1  0  0  0  0
  8 29  1  1  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 18  1  6  0  0  0
 11 34  1  0  0  0  0
 12 14  2  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 15  1  0  0  0  0
 14 17  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 21  1  0  0  0  0
 17 20  1  0  0  0  0
 17 22  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
 19 43  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
 23 25  1  0  0  0  0
 23 45  1  0  0  0  0
 24 25  2  0  0  0  0
 24 46  1  0  0  0  0
 25 47  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
M  END

$$$$
D03DMR
  -OEChem-10191522192D

 86 89  0     1  0  0  0  0  0999 V2000
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    6.1968   -2.2889    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.2868   -2.7958    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.8750   -0.9842    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.0628   -0.7889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2787   -3.8374    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.1968   -1.2889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8750   -2.5936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.4586   -1.7889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1808   -4.3582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3599   -2.2317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9288   -0.2889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1857   -0.0337    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.3433   -4.3871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2945   -1.7958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4120   -2.7596    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4037   -3.8446    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   10.1642    0.1726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5179    0.7106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4749    1.1231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4534    1.3293    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7640    2.2798    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   12.7425    2.4860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3639    4.3871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0037    3.1259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1027    3.7472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9944   -2.9054    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6021   -3.0948    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7337   -1.9789    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    6.6643   -0.3140    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2811   -4.4574    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9847   -0.7063    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5862   -1.3966    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6240   -3.1606    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4124   -2.9029    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2969   -4.4108    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6880   -3.7149    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9195   -2.2036    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9195   -1.3742    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7835   -4.8341    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5818   -4.8311    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7681   -1.7650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9700   -1.7496    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5488   -0.2889    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9288    0.3311    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3088   -0.2889    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3783    0.5557    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9460   -4.8630    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7443   -4.8600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9145   -1.8006    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2993   -1.1758    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6745   -1.7910    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2075   -2.1743    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8004   -2.8610    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4025   -4.4646    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1848   -0.4471    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7780    0.0852    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9793    1.1247    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1038    1.1721    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0564    0.2966    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4543    1.7427    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8611    1.2104    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -4.0292    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4739    0.7096    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.0672    1.2420    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9567    2.8691    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.7631    1.8664    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.3564    2.3987    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2888    3.6134    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.9532    4.1945    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.5565    4.9764    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.2953    4.3365    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5134    3.9398    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9101    3.1579    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.8111    2.5366    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.5931    2.9333    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.1963    3.7152    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.7745    4.5797    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 23  1  0  0  0  0
  1 71  1  0  0  0  0
  2 28  1  0  0  0  0
  2 77  1  0  0  0  0
  3 29  1  0  0  0  0
  3 30  1  0  0  0  0
  3 31  1  0  0  0  0
  3 32  1  0  0  0  0
  4  5  1  0  0  0  0
  4  9  1  0  0  0  0
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  4 18  1  0  0  0  0
  5  6  1  0  0  0  0
  5 13  1  0  0  0  0
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  7 35  1  0  0  0  0
  8 11  1  0  0  0  0
  8 17  1  0  0  0  0
  8 21  1  0  0  0  0
  9 15  1  0  0  0  0
  9 19  1  0  0  0  0
  9 36  1  0  0  0  0
 10 12  1  0  0  0  0
 10 37  1  0  0  0  0
 10 38  1  0  0  0  0
 11 16  1  0  0  0  0
 11 20  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 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 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 22  1  0  0  0  0
 17 50  1  0  0  0  0
 17 51  1  0  0  0  0
 18 52  1  0  0  0  0
 18 53  1  0  0  0  0
 18 54  1  0  0  0  0
 19 24  1  0  0  0  0
 19 25  1  0  0  0  0
 19 55  1  0  0  0  0
 20 23  1  0  0  0  0
 20 56  1  0  0  0  0
 20 57  1  0  0  0  0
 21 58  1  0  0  0  0
 21 59  1  0  0  0  0
 21 60  1  0  0  0  0
 22 23  1  0  0  0  0
 22 61  1  0  0  0  0
 22 62  1  0  0  0  0
 23 63  1  0  0  0  0
 24 26  1  0  0  0  0
 24 64  1  0  0  0  0
 24 65  1  0  0  0  0
 25 66  1  0  0  0  0
 25 67  1  0  0  0  0
 25 68  1  0  0  0  0
 26 27  1  0  0  0  0
 26 69  1  0  0  0  0
 26 70  1  0  0  0  0
 27 28  1  0  0  0  0
 27 72  1  0  0  0  0
 27 73  1  0  0  0  0
 28 29  1  0  0  0  0
 28 74  1  0  0  0  0
 29 75  1  0  0  0  0
 29 76  1  0  0  0  0
 30 78  1  0  0  0  0
 30 79  1  0  0  0  0
 30 86  1  0  0  0  0
 31 83  1  0  0  0  0
 31 84  1  0  0  0  0
 31 85  1  0  0  0  0
 32 80  1  0  0  0  0
 32 81  1  0  0  0  0
 32 82  1  0  0  0  0
M  CHG  1   3   1
M  END

$$$$
D03DND
  -OEChem-10101305022D

 33 34  0     0  0  0  0  0  0999 V2000
    6.0010    0.7500    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    3.7500    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    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
    4.2690   -2.2500    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   -2.7500    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
    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    0.2500    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    2.2500    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
    5.1350    3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    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
    6.8671    3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4810   -2.8326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    3.1909   -2.1674    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7924   -2.8577    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
    5.6720   -1.0600    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
    2.7830   -3.7500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -4.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0230   -3.7500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    3.5600    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
    7.4040    1.9400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    4.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 15  1  0  0  0  0
  2 19  1  0  0  0  0
  3 10  1  0  0  0  0
  3 14  1  0  0  0  0
  4 11  1  0  0  0  0
  4 31  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 20  1  0  0  0  0
  5 21  1  0  0  0  0
  6  8  2  0  0  0  0
  6  9  1  0  0  0  0
  7 13  1  0  0  0  0
  7 22  1  0  0  0  0
  7 23  1  0  0  0  0
  8 11  1  0  0  0  0
  8 24  1  0  0  0  0
  9 12  2  0  0  0  0
  9 25  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 26  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 15  2  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  2  0  0  0  0
 16 30  1  0  0  0  0
 17 19  2  0  0  0  0
 17 32  1  0  0  0  0
 18 19  1  0  0  0  0
 18 33  1  0  0  0  0
M  END

$$$$
D03DNV
  -OEChem-10191521402D

 39 40  0     1  0  0  0  0  0999 V2000
    5.4641    0.7306    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  2 34  1  0  0  0  0
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  3 35  1  0  0  0  0
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  5 11  1  0  0  0  0
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 13  6  1  6  0  0  0
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  7 19  2  0  0  0  0
  7 20  1  0  0  0  0
  8  9  1  0  0  0  0
  8 21  1  0  0  0  0
  8 22  1  6  0  0  0
  9 10  1  0  0  0  0
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 18 20  2  0  0  0  0
 18 37  1  0  0  0  0
 19 38  1  0  0  0  0
 20 39  1  0  0  0  0
M  END

$$$$
D03DPD
  -OEChem-04152110182D

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M  END

$$$$
D03DQQ
  -OEChem-10101305032D

 38 40  0     0  0  0  0  0  0999 V2000
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 20 37  1  0  0  0  0
 21 38  1  0  0  0  0
M  END

$$$$
D03DRF
  -OEChem-10101305032D

 40 42  0     0  0  0  0  0  0999 V2000
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 15 17  2  0  0  0  0
 15 29  1  0  0  0  0
 16 17  1  0  0  0  0
 17 30  1  0  0  0  0
 18 20  1  0  0  0  0
 18 31  1  0  0  0  0
 19 21  2  0  0  0  0
 19 32  1  0  0  0  0
 20 23  2  0  0  0  0
 20 33  1  0  0  0  0
 21 23  1  0  0  0  0
 21 34  1  0  0  0  0
 22 24  1  0  0  0  0
 22 35  1  0  0  0  0
 22 36  1  0  0  0  0
 23 37  1  0  0  0  0
 24 25  2  0  0  0  0
 24 38  1  0  0  0  0
 25 39  1  0  0  0  0
 25 40  1  0  0  0  0
M  CHG  2   3  -1   7   1
M  END

$$$$
D03DRL
  -OEChem-10101305022D

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M  END

$$$$
D03DRM
  -OEChem-10191522352D

 24 26  0     0  0  0  0  0  0999 V2000
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M  END

$$$$
D03DSG
  -OEChem-10101305022D

139142  0     1  0  0  0  0  0999 V2000
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 71138  1  0  0  0  0
 71139  1  0  0  0  0
M  END

$$$$
D03DTQ
          12071000062D 1   1.00000     0.00000     0

 16 17  0     0  0            999 V2000
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  8  9  1  0     0  0
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 13 11  1  0     0  0
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 11 12  2  0     0  0
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 14  3  2  0     0  0
  3 15  1  0     0  0
 15 16  2  0     0  0
 16 13  1  0     0  0
  7  8  1  0     0  0
M  END

$$$$
D03DTZ
  -OEChem-04152109522D

 58 58  0     0  0  0  0  0  0999 V2000
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   11.9417    4.9650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 57  1  0  0  0  0
  2 58  1  0  0  0  0
  3 14  1  0  0  0  0
  3 20  1  0  0  0  0
  4 18  1  0  0  0  0
  4 23  1  0  0  0  0
  5 22  1  0  0  0  0
  5 51  1  0  0  0  0
  6  8  1  0  0  0  0
  6  9  1  0  0  0  0
  6 12  1  0  0  0  0
  7 10  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 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 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 14  1  0  0  0  0
 12 37  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 41  1  0  0  0  0
 14 42  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
 16 43  1  0  0  0  0
 17 19  2  0  0  0  0
 17 44  1  0  0  0  0
 18 21  2  0  0  0  0
 19 21  1  0  0  0  0
 19 45  1  0  0  0  0
 20 22  1  0  0  0  0
 20 46  1  0  0  0  0
 20 47  1  0  0  0  0
 21 48  1  0  0  0  0
 22 49  1  0  0  0  0
 22 50  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 52  1  0  0  0  0
 25 27  2  0  0  0  0
 25 53  1  0  0  0  0
 26 28  2  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
 28 56  1  0  0  0  0
M  END

$$$$
D03DUN
  -OEChem-10101305032D

 28 28  0     1  0  0  0  0  0999 V2000
    5.1350    0.2890    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -1.2110    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -2.2110    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    0.7890    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7690    1.6550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -0.7110    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    2.5210    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7690    1.6550    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -0.7110    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.2690   -1.2110    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.4030    0.2890    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.1350   -0.7110    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.2690    0.7890    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0010   -1.2110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7690    1.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -1.3310    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8059   -1.5210    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    0.9090    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6720   -0.4010    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6025   -1.6860    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3996   -1.6860    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -1.8310    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8059   -2.5210    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.4790    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1490    1.6550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4040   -1.0210    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0790    2.1919    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0790    1.1181    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  1  0  0  0  0
  1 13  1  0  0  0  0
  9  2  1  6  0  0  0
  2 22  1  0  0  0  0
 10  3  1  1  0  0  0
  3 23  1  0  0  0  0
 11  4  1  1  0  0  0
  4 24  1  0  0  0  0
 13  5  1  1  0  0  0
  5 25  1  0  0  0  0
  6 14  1  0  0  0  0
  6 26  1  0  0  0  0
  7 15  2  0  0  0  0
  8 15  1  0  0  0  0
  8 27  1  0  0  0  0
  8 28  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 16  1  0  0  0  0
 10 12  1  0  0  0  0
 10 17  1  0  0  0  0
 11 13  1  0  0  0  0
 11 18  1  0  0  0  0
 12 14  1  6  0  0  0
 12 19  1  0  0  0  0
 13 15  1  0  0  0  0
 14 20  1  0  0  0  0
 14 21  1  0  0  0  0
M  END

$$$$
D03DUX
  -OEChem-10101305022D

 35 37  0     0  0  0  0  0  0999 V2000
    4.9889    0.4518    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.9394    0.1412    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0384    0.7625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9244    1.0705    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6353   -0.0862    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783   -0.4987    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.8034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.8034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2619   -1.3034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2996    1.4024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783   -2.1081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.3034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.3034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.8034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2781    1.6086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.8034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6318    2.1467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.3034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5888    2.5591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9424    3.0972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9209    3.3034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9459    0.8643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8819   -1.3034    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8709   -2.6975    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    1.4631   -2.1134    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -0.4934    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0251    2.0188    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2460   -3.3034    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.9234    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4860   -3.3034    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1954    2.6870    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5284    3.5587    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1135    3.8927    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3385    0.6090    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 10  1  0  0  0  0
  4 22  1  0  0  0  0
  4 35  1  0  0  0  0
  5 22  2  0  0  0  0
  6  7  1  0  0  0  0
  6  9  1  0  0  0  0
  7  8  1  0  0  0  0
  7 13  2  0  0  0  0
  8 11  1  0  0  0  0
  8 12  2  0  0  0  0
  9 11  2  0  0  0  0
  9 23  1  0  0  0  0
 10 15  1  0  0  0  0
 10 17  2  0  0  0  0
 11 24  1  0  0  0  0
 12 14  1  0  0  0  0
 12 18  1  0  0  0  0
 13 16  1  0  0  0  0
 13 25  1  0  0  0  0
 14 16  2  0  0  0  0
 14 26  1  0  0  0  0
 15 19  2  0  0  0  0
 15 22  1  0  0  0  0
 16 27  1  0  0  0  0
 17 20  1  0  0  0  0
 17 28  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 21  1  0  0  0  0
 19 32  1  0  0  0  0
 20 21  2  0  0  0  0
 20 33  1  0  0  0  0
 21 34  1  0  0  0  0
M  END

$$$$
D03DVF
  -OEChem-10101305022D

 19 19  0     1  0  0  0  0  0999 V2000
    5.1350    1.7500    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
    2.5369   -1.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -1.2500    0.0000 C   0  0  3  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    0.2500    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   -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
    4.2690    1.2500    0.0000 C   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
    3.1909    0.3326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7924   -0.3577    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
    5.6720    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
    2.5369   -2.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.4400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    2.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
  1 19  1  0  0  0  0
  2 10  2  0  0  0  0
  3  4  1  0  0  0  0
  3 17  1  0  0  0  0
  3 18  1  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  4 11  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  8  2  0  0  0  0
  6 10  1  0  0  0  0
  7  9  2  0  0  0  0
  7 14  1  0  0  0  0
  8  9  1  0  0  0  0
  8 15  1  0  0  0  0
  9 16  1  0  0  0  0
M  END

$$$$
D03DVM
  -OEChem-10101305022D

 43 47  0     0  0  0  0  0  0999 V2000
   10.2918   -1.4202    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5896   -1.8156    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7871   -0.5076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9781    0.0801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5961    0.0801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5961   -1.0954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9781   -1.0954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2871    1.0312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2871    1.0312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2871   -2.0465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2871   -2.0465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0270   -0.7864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.8217    1.9252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7524    1.9252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9720   -2.8312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3144   -1.6319    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3079    2.8312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8191    0.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3328   -1.1465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.7084   -1.8793    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  4  9  1  0  0  0  0
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  5  8  1  0  0  0  0
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 10 11  1  0  0  0  0
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 13 17  2  0  0  0  0
 13 31  1  0  0  0  0
 14 18  1  0  0  0  0
 14 33  1  0  0  0  0
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 16 20  2  0  0  0  0
 16 34  1  0  0  0  0
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M  END

$$$$
D03DWG
  -OEChem-04152110082D

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M  END

$$$$
D03DXK
  -OEChem-10101305022D

138141  0     1  0  0  0  0  0999 V2000
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$$$$
D03DXV
  -OEChem-10101305022D

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$$$$
D03DYT
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    7.7642   -3.2360    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7121    2.1157    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9813   -1.3766    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9326   -3.6892    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4804   -4.2873    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8343    4.2830    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4044    3.7463    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1953   -0.9322    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3767   -0.6180    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6910    0.2006    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
 10  2  1  6  0  0  0
  2 42  1  0  0  0  0
  3 24  1  0  0  0  0
  3 35  1  0  0  0  0
  4 24  2  0  0  0  0
  5 27  2  0  0  0  0
  6  9  1  0  0  0  0
  6 13  1  0  0  0  0
  6 18  1  0  0  0  0
  7 11  1  0  0  0  0
  7 14  1  0  0  0  0
  7 19  1  0  0  0  0
  8 25  1  0  0  0  0
  8 27  1  0  0  0  0
  8 49  1  0  0  0  0
  9 10  1  0  0  0  0
  9 17  1  1  0  0  0
 10 12  1  0  0  0  0
 10 24  1  0  0  0  0
 11 12  1  0  0  0  0
 11 36  1  6  0  0  0
 12 37  1  0  0  0  0
 12 38  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 20  1  0  0  0  0
 15 21  2  0  0  0  0
 16 22  2  0  0  0  0
 16 23  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 20  1  0  0  0  0
 18 26  2  0  0  0  0
 19 23  1  0  0  0  0
 19 28  2  0  0  0  0
 20 29  2  0  0  0  0
 21 22  1  0  0  0  0
 21 25  1  0  0  0  0
 22 27  1  0  0  0  0
 23 30  2  0  0  0  0
 25 43  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
 28 33  1  0  0  0  0
 28 46  1  0  0  0  0
 29 32  1  0  0  0  0
 29 47  1  0  0  0  0
 30 34  1  0  0  0  0
 30 48  1  0  0  0  0
 31 32  2  0  0  0  0
 31 50  1  0  0  0  0
 32 51  1  0  0  0  0
 33 34  2  0  0  0  0
 33 52  1  0  0  0  0
 34 53  1  0  0  0  0
 35 54  1  0  0  0  0
 35 55  1  0  0  0  0
 35 56  1  0  0  0  0
M  END

$$$$
D03DZO
  -OEChem-10101305022D

 27 29  0     0  0  0  0  0  0999 V2000
    3.4030    1.6970    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2152   -1.1077    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    0.1970    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.7988   -0.3030    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -0.8030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -1.3030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.1970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -0.8030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7988   -0.3030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2152    0.5018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    0.6970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7988   -0.3030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2988   -1.1690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2988    0.5631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2988   -1.1690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2988    0.5631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0044   -1.7779    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8015   -1.7779    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9264   -0.6953    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3249   -1.3856    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4078   -1.6970    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4078    1.0911    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.5070    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9888   -1.7059    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9888    1.1000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6088   -1.7059    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6088    1.1000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  2  0  0  0  0
  2  5  1  0  0  0  0
  2  9  1  0  0  0  0
  2 21  1  0  0  0  0
  3  8  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
  4 16  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  2  0  0  0  0
  6  8  1  0  0  0  0
  6 17  1  0  0  0  0
  6 18  1  0  0  0  0
  7 10  1  0  0  0  0
  7 11  1  0  0  0  0
  8 19  1  0  0  0  0
  8 20  1  0  0  0  0
  9 10  2  0  0  0  0
  9 12  1  0  0  0  0
 10 22  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 13 15  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
 15 26  1  0  0  0  0
 16 27  1  0  0  0  0
M  END

$$$$
D03DZP
  -OEChem-10101305022D

 33 34  0     0  0  0  0  0  0999 V2000
   12.3923    1.3100    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    0.8100    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.3100    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -0.6900    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282   -0.6900    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603   -0.6900    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -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
    4.5981    0.8100    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
    8.0622   -0.1900    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   -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
    9.7942   -0.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942    0.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603    1.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5263    0.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5263   -0.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0656   -1.1650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8626   -1.1650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7287    0.2849    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9316    0.2849    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
    5.1350    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
    3.7320    1.9300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -0.5000    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
    9.2573    1.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603    1.9300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.0632   -0.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 19  1  0  0  0  0
  2 12  2  0  0  0  0
  3 15  1  0  0  0  0
  4  8  1  0  0  0  0
  4 12  1  0  0  0  0
  4 25  1  0  0  0  0
  5 12  1  0  0  0  0
  5 16  1  0  0  0  0
  5 30  1  0  0  0  0
  6 16  2  0  0  0  0
  6 20  1  0  0  0  0
  7  8  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 23  1  0  0  0  0
  8 24  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 10 13  1  0  0  0  0
 10 26  1  0  0  0  0
 11 14  2  0  0  0  0
 11 27  1  0  0  0  0
 13 15  2  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
 16 17  1  0  0  0  0
 17 18  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 20  2  0  0  0  0
 20 33  1  0  0  0  0
M  END

$$$$
D03EAN
  -OEChem-10191521532D

 58 59  0     1  0  0  0  0  0999 V2000
    9.5858   -3.6307    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.9236    0.0300    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2294    0.3901    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.3975    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.5352    0.7503    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0858    1.9081    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.0858    1.9081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4980    2.7172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6736    2.7172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7768    0.9571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5858    0.3693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3948    0.9571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9048    3.6307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5035    2.6126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8258    0.6481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6681    2.6126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2669    3.6307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5858   -0.6307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1316    1.0082    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.0826    1.3172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3884    1.6773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4374    1.3683    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.4518   -1.1307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7198   -1.1307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6942    2.0374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4518   -2.1307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7198   -2.1307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5858   -2.6307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7431    1.7284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.0380    3.2188    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9845    0.7655    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4387    3.2292    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8869    2.5478    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   11.6033    1.9960    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.2847    2.5478    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   10.8333    3.8829    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0147    4.1971    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7005    3.3785    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5419    0.8166    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1 28  1  0  0  0  0
 19  2  1  1  0  0  0
  2 57  1  0  0  0  0
 22  3  1  1  0  0  0
  3 58  1  0  0  0  0
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 27 28  1  0  0  0  0
 27 56  1  0  0  0  0
M  CHG  1   4  -1
M  END

$$$$
D03EBE
  -OEChem-04152109232D

 32 33  0     1  0  0  0  0  0999 V2000
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 10  1  1  6  0  0  0
  1 28  1  0  0  0  0
 12  2  1  6  0  0  0
  2 29  1  0  0  0  0
  3 16  2  0  0  0  0
  4  9  1  0  0  0  0
  4 13  1  0  0  0  0
  4 22  1  0  0  0  0
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 10 12  1  0  0  0  0
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 13 14  2  0  0  0  0
 13 16  1  0  0  0  0
 15 25  1  0  0  0  0
 15 26  1  0  0  0  0
 15 27  1  0  0  0  0
M  END

$$$$
D03EBH
  -OEChem-10101305022D

153157  0     1  0  0  0  0  0999 V2000
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M  END

$$$$
D03EBZ
  -OEChem-10101305022D

 52 53  0     0  0  0  0  0  0999 V2000
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 30 52  1  0  0  0  0
M  END

$$$$
D03ECE
  -OEChem-10101305022D

299302  0     1  0  0  0  0  0999 V2000
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M  END

$$$$
D03ECU
  -OEChem-10111523252D

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 17 39  1  0  0  0  0
 18 21  2  0  0  0  0
 18 40  1  0  0  0  0
 19 21  1  0  0  0  0
 19 41  1  0  0  0  0
 20 42  1  0  0  0  0
M  END

$$$$
D03EDD
          09240900062D 1   1.00000     0.00000     0

 28 32  0     1  0            999 V2000
    2.7575   -1.4277    0.0000 C   0  0  1  0  0  0           0  0  0
    1.5397   -2.1509    0.0000 C   0  0  1  0  0  0           0  0  0
    2.7762    0.1306    0.0000 C   0  0  1  0  0  0           0  0  0
    4.1852   -1.9456    0.0000 C   0  0  0  0  0  0           0  0  0
    0.1586   -1.3671    0.0000 C   0  0  1  0  0  0           0  0  0
    1.5677   -3.6953    0.0000 C   0  0  0  0  0  0           0  0  0
    4.2179    0.5972    0.0000 C   0  0  0  0  0  0           0  0  0
    1.4651    0.9472    0.0000 C   0  0  0  0  0  0           0  0  0
    2.9675    1.6704    0.0000 C   0  0  0  0  0  0           0  0  0
    5.1371   -0.6905    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.1198   -2.1183    0.0000 C   0  0  2  0  0  0           0  0  0
    0.1260    0.1866    0.0000 C   0  0  0  0  0  0           0  0  0
    0.2333   -4.4839    0.0000 C   0  0  0  0  0  0           0  0  0
    4.7032    2.0623    0.0000 N   0  0  3  0  0  0           0  0  0
   -1.1198   -3.6860    0.0000 C   0  0  0  0  0  0           0  0  0
   -2.4449   -1.3298    0.0000 C   0  0  0  0  0  0           0  0  0
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    3.8026    3.3174    0.0000 C   0  0  0  0  0  0           0  0  0
   -2.4262   -4.4465    0.0000 C   0  0  0  0  0  0           0  0  0
   -3.7747   -2.0856    0.0000 C   0  0  0  0  0  0           0  0  0
    6.1729    4.0919    0.0000 C   0  0  0  0  0  0           0  0  0
    4.7498    4.5632    0.0000 N   0  0  0  0  0  0           0  0  0
   -3.7840   -3.6627    0.0000 C   0  0  2  0  0  0           0  0  0
   -5.1184   -4.4279    0.0000 O   0  0  0  0  0  0           0  0  0
    2.7388   -2.9628    0.0000 H   0  0  0  0  0  0           0  0  0
    1.4651   -0.6299    0.0000 H   0  0  0  0  0  0           0  0  0
    0.1726   -2.9068    0.0000 H   0  0  0  0  0  0           0  0  0
  1  2  1  0     0  0
  1  3  1  0     0  0
  1  4  1  0     0  0
  2  5  1  0     0  0
  2  6  1  0     0  0
  3  7  1  0     0  0
  3  8  1  0     0  0
  3  9  1  1     0  0
  4 10  1  0     0  0
  5 11  1  0     0  0
  5 12  1  0     0  0
  6 13  1  0     0  0
  7 14  1  0     0  0
 11 15  1  0     0  0
 11 16  1  0     0  0
 11 17  1  1     0  0
 14 18  1  0     0  0
 14 19  1  0     0  0
 15 20  1  0     0  0
 16 21  1  0     0  0
 18 22  2  0     0  0
 19 23  2  0     0  0
 20 24  1  0     0  0
 24 25  1  1     0  0
  7 10  2  0     0  0
  8 12  1  0     0  0
 13 15  2  0     0  0
 21 24  1  0     0  0
 22 23  1  0     0  0
  1 26  1  6     0  0
  2 27  1  1     0  0
  5 28  1  6     0  0
M  END

$$$$
D03EDF
  -OEChem-10101305032D

 43 44  0     0  0  0  0  0  0999 V2000
    2.8660   -4.4050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -5.4050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.5950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    2.0950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603    5.0950    0.0000 O   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
    3.7320   -2.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -2.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -4.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    3.5950    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
    5.4641    0.0950    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
    6.3301    1.5950    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
    7.1962    2.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.7942    4.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.5422    0.0124    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0010   -2.5950    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0010   -4.2150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -1.2150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6592    3.4050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   10.3312    3.2850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    1.4631   -3.5950    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -4.4419    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603    5.7150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  1 25  1  0  0  0  0
  2 12  1  0  0  0  0
  2 39  1  0  0  0  0
  3 15  2  0  0  0  0
  4 17  2  0  0  0  0
  5 24  1  0  0  0  0
  5 43  1  0  0  0  0
  6  7  2  0  0  0  0
  6 10  1  0  0  0  0
  6 11  1  0  0  0  0
  7  9  1  0  0  0  0
  7 26  1  0  0  0  0
  8 15  1  0  0  0  0
  8 17  1  0  0  0  0
  8 27  1  0  0  0  0
  8 28  1  0  0  0  0
  9 12  2  0  0  0  0
 10 14  2  0  0  0  0
 10 29  1  0  0  0  0
 11 16  2  0  0  0  0
 11 30  1  0  0  0  0
 12 14  1  0  0  0  0
 13 18  1  0  0  0  0
 13 20  2  0  0  0  0
 13 21  1  0  0  0  0
 14 31  1  0  0  0  0
 15 16  1  0  0  0  0
 16 32  1  0  0  0  0
 17 19  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 22  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 24  2  0  0  0  0
 22 37  1  0  0  0  0
 23 24  1  0  0  0  0
 23 38  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

$$$$
D03EDR
  -OEChem-10101305032D

 34 34  0     1  0  0  0  0  0999 V2000
    5.1350   -0.8450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -2.3450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -3.3450    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
    6.8671   -1.8450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    0.6550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    2.1550    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
    5.1350    2.1550    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -1.8450    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.2690   -2.3450    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.4030   -0.8450    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.1350   -1.8450    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.2690   -0.3450    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0010   -2.3450    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
    6.0010    3.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -2.4650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    5.6720   -1.5350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.0350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    5.3810    3.6550    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
 10  2  1  6  0  0  0
  2 27  1  0  0  0  0
 11  3  1  1  0  0  0
  3 28  1  0  0  0  0
 12  4  1  1  0  0  0
  4 29  1  0  0  0  0
  5 15  1  0  0  0  0
  5 30  1  0  0  0  0
  6 16  2  0  0  0  0
  7 17  2  0  0  0  0
 14  8  1  6  0  0  0
  8 16  1  0  0  0  0
  8 26  1  0  0  0  0
  9 16  1  0  0  0  0
  9 17  1  0  0  0  0
  9 31  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 10 19  1  0  0  0  0
 11 13  1  0  0  0  0
 11 20  1  0  0  0  0
 12 14  1  0  0  0  0
 12 21  1  0  0  0  0
 13 15  1  6  0  0  0
 13 22  1  0  0  0  0
 14 23  1  0  0  0  0
 15 24  1  0  0  0  0
 15 25  1  0  0  0  0
 17 18  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
M  END

$$$$
D03EDW
  -OEChem-10101305022D

 59 62  0     1  0  0  0  0  0999 V2000
   12.4725   -1.3047    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    0.5000    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    6.3301    0.0000    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
   13.0561   -0.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942    0.0000    0.0000 C   0  0  3  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
   10.6603    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    0.0000    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
   10.6603   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5263    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.3301   -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
    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
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   12.4725    0.3047    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
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    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
    9.2573   -0.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1836   -0.8923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5822   -1.5826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0588    0.9749    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2617    0.9749    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6636   -0.4749    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4607   -0.4749    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5947    0.9749    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7976    0.9749    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2617   -1.9750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0588   -1.9750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    5.8626    0.9749    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    6.5422   -1.5826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9407   -0.8923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0656   -1.9750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8626   -1.9750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3860    0.5826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9875   -0.1077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4516    2.1077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8501    1.4174    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.6651    0.8941    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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 17 47  1  0  0  0  0
 17 48  1  0  0  0  0
 18 45  1  0  0  0  0
 18 46  1  0  0  0  0
 19 22  1  0  0  0  0
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 19 50  1  0  0  0  0
 20 51  1  0  0  0  0
 21 23  2  0  0  0  0
 21 24  1  0  0  0  0
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 22 53  1  0  0  0  0
 22 54  1  0  0  0  0
 23 25  1  0  0  0  0
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 25 27  2  0  0  0  0
 25 57  1  0  0  0  0
 26 27  1  0  0  0  0
 26 58  1  0  0  0  0
 27 59  1  0  0  0  0
M  END

$$$$
D03EEO
  -OEChem-10191522262D

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  1  2  1  0  0  0  0
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  1  5  1  0  0  0  0
  1  6  2  0  0  0  0
  2 10  1  0  0  0  0
  3 11  1  0  0  0  0
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  8 10  1  0  0  0  0
  8 12  2  0  0  0  0
  9 11  1  0  0  0  0
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 10 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
 12 13  1  0  0  0  0
 13 15  1  0  0  0  0
 14 20  1  0  0  0  0
 15 21  1  0  0  0  0
 15 22  1  0  0  0  0
 15 23  1  0  0  0  0
M  END

$$$$
D03EGA
  -OEChem-04152110112D

 59 63  0     0  0  0  0  0  0999 V2000
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 33 56  1  0  0  0  0
 34 35  2  0  0  0  0
 34 57  1  0  0  0  0
 35 58  1  0  0  0  0
M  END

$$$$
D03EGZ
  -OEChem-10101305022D

 44 49  0     1  0  0  0  0  0999 V2000
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  7 11  1  0  0  0  0
  7 30  1  6  0  0  0
  8 12  1  0  0  0  0
  8 31  1  1  0  0  0
  9 13  2  0  0  0  0
  9 14  1  0  0  0  0
 10 16  1  0  0  0  0
 10 32  1  0  0  0  0
 10 33  1  0  0  0  0
 11 17  1  0  0  0  0
 11 20  2  0  0  0  0
 12 15  2  0  0  0  0
 12 21  1  0  0  0  0
 13 15  1  0  0  0  0
 13 18  1  0  0  0  0
 14 16  1  0  0  0  0
 14 19  2  0  0  0  0
 15 22  1  0  0  0  0
 17 24  2  0  0  0  0
 18 23  2  0  0  0  0
 19 23  1  0  0  0  0
 20 26  1  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 27  2  0  0  0  0
 22 36  1  0  0  0  0
 23 37  1  0  0  0  0
 24 28  1  0  0  0  0
 24 38  1  0  0  0  0
 25 27  1  0  0  0  0
 26 28  2  0  0  0  0
 26 39  1  0  0  0  0
 27 40  1  0  0  0  0
 28 41  1  0  0  0  0
M  END

$$$$
D03EHB
  -OEChem-10101305022D

 16 17  0     0  0  0  0  0  0999 V2000
    4.9889   -2.3776    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    5.2619   -0.6224    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783    0.1824    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    2.3776    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.1224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8660    0.3776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783   -1.4271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.6224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.1224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.1224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.3776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.2424    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8819   -0.6224    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    0.1876    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -1.4324    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
  2  3  1  0  0  0  0
  2  8  1  0  0  0  0
  2 14  1  0  0  0  0
  3  6  2  0  0  0  0
  4 12  3  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  7  1  0  0  0  0
  7 10  2  0  0  0  0
  7 12  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 15  1  0  0  0  0
 11 16  1  0  0  0  0
M  END

$$$$
D03EHM
  -OEChem-10191522362D

 41 45  0     0  0  0  0  0  0999 V2000
    4.6783   -1.6592    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2619   -0.8545    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.8545    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.3545    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.1455    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6318    2.5956    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1110    3.6605    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9889   -2.6098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4026   -3.4198    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9405   -2.9171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9917   -4.2278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9422   -3.9171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.3545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.3545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783   -0.0498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9889    0.9007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.1455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9674    1.1070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.3545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3211    1.6450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.6103    2.8018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1859    2.4626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0828    3.4513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4266   -2.1706    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9411   -3.0057    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    6.5572   -2.9809    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0684   -2.3105    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4553   -4.5387    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2449   -4.7938    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0722   -4.5234    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5587   -3.8513    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3815    0.6455    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7144    1.5172    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -1.6645    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291    1.4555    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    1.4555    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7228    2.1526    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8608    4.2278    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5443    3.8654    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  8  1  0  0  0  0
  1 13  1  0  0  0  0
  2 15  2  0  0  0  0
  3 13  2  0  0  0  0
  3 19  1  0  0  0  0
  4 17  1  0  0  0  0
  4 19  2  0  0  0  0
  5 17  1  0  0  0  0
  5 37  1  0  0  0  0
  5 38  1  0  0  0  0
  6 20  1  0  0  0  0
  6 22  2  0  0  0  0
  7 22  1  0  0  0  0
  7 24  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 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 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  0  0  0  0
 14 15  1  0  0  0  0
 14 17  2  0  0  0  0
 15 16  1  0  0  0  0
 16 18  1  0  0  0  0
 16 20  2  0  0  0  0
 18 21  2  0  0  0  0
 18 34  1  0  0  0  0
 19 36  1  0  0  0  0
 20 35  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  1  0  0  0  0
 23 24  2  0  0  0  0
 23 39  1  0  0  0  0
 24 41  1  0  0  0  0
M  END

$$$$
D03EHS
  -OEChem-10101305022D

176179  0     1  0  0  0  0  0999 V2000
   11.5509    8.5919    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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   11.7835   -4.6348    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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   10.1371   -4.0967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   15.0761   -5.7110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5018   -5.8139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4333   -7.4058    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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   10.6189    5.7403    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END

$$$$
D03EIM
  -OEChem-04152109302D

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 22  4  1  1  0  0  0
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 27 32  2  0  0  0  0
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 29 67  1  0  0  0  0
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 32 75  1  0  0  0  0
 33 34  2  0  0  0  0
 33 35  1  0  0  0  0
 34 77  1  0  0  0  0
M  END

$$$$
D03EJP
  -OEChem-10191522422D

 57 61  0     1  0  0  0  0  0999 V2000
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 17 21  1  0  0  0  0
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 20 24  2  0  0  0  0
 20 44  1  0  0  0  0
 21 25  2  0  0  0  0
 21 46  1  0  0  0  0
 22 26  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  1  0  0  0  0
 24 49  1  0  0  0  0
 25 50  1  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
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 28 29  2  0  0  0  0
 28 30  1  0  0  0  0
 29 31  1  0  0  0  0
 29 54  1  0  0  0  0
 30 32  2  0  0  0  0
 30 55  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
 32 57  1  0  0  0  0
M  END

$$$$
D03EMO
  -OEChem-10101305022D

 45 46  0     1  0  0  0  0  0999 V2000
    2.0000    3.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    1.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    1.5000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.4641    1.0000    0.0000 C   0  0  3  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
    5.4641    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    1.5000    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
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    6.3301    0.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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 16 18  2  0  0  0  0
 16 41  1  0  0  0  0
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 17 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
M  END

$$$$
D03EOD
  -OEChem-10101305022D

 42 44  0     0  0  0  0  0  0999 V2000
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 21 39  1  0  0  0  0
M  END

$$$$
D03EOK
  -OEChem-10101305022D

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M  END

$$$$
D03EPA
  -OEChem-10101305022D

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M  END

$$$$
D03EPB
  -OEChem-10101305022D

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  1 36  2  0  0  0  0
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 12  5  1  6  0  0  0
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 11  6  1  6  0  0  0
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 50 53  1  0  0  0  0
 50109  1  0  0  0  0
 50110  1  0  0  0  0
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 51112  1  0  0  0  0
 51113  1  0  0  0  0
 52114  1  0  0  0  0
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 53 56  1  0  0  0  0
 53119  1  0  0  0  0
 53120  1  0  0  0  0
 54 55  1  0  0  0  0
 54117  1  0  0  0  0
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 55 57  1  0  0  0  0
 55121  1  0  0  0  0
 55122  1  0  0  0  0
 56 58  1  0  0  0  0
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 57 59  1  0  0  0  0
 57127  1  0  0  0  0
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 58 60  1  0  0  0  0
 58125  1  0  0  0  0
 58126  1  0  0  0  0
 59 60  1  0  0  0  0
 59131  1  0  0  0  0
 59132  1  0  0  0  0
 60129  1  0  0  0  0
 60130  1  0  0  0  0
M  END

$$$$
D03EPY
  -OEChem-10101305032D

 21 22  0     0  0  0  0  0  0999 V2000
    2.5369   -0.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    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
    2.5369    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
    3.4030   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1629    1.0347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1629   -1.0347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0690    0.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0690   -0.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8015    1.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0044    1.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3249    1.0826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9264    0.3923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0044   -1.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8015   -1.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    5.1558   -1.6546    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    6.6047   -0.8329    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
  1 17  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2 11  1  0  0  0  0
  2 12  1  0  0  0  0
  3  5  1  0  0  0  0
  3  7  2  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  8  2  0  0  0  0
  6 15  1  0  0  0  0
  6 16  1  0  0  0  0
  7  9  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
  9 10  2  0  0  0  0
  9 20  1  0  0  0  0
 10 21  1  0  0  0  0
M  END

$$$$
D03EQH
  -OEChem-10101305022D

 36 38  0     0  0  0  0  0  0999 V2000
    2.0000   -2.8440    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3140   -0.3399    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5956   -2.2767    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9016   -1.1417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6106   -0.2571    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3693   -0.6494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3743   -1.6493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5844   -0.0298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3220   -1.9494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6199    0.6122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8021    0.9463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1812   -1.1603    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6196   -2.0591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6374   -2.8983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5974    0.8232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7562    1.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0656    1.6228    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9738    2.2218    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2833    2.5988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2374    2.8983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.3723    3.5034    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  2  0  0  0  0
  2  4  1  0  0  0  0
  2  6  1  0  0  0  0
  2 10  1  0  0  0  0
  3  7  1  0  0  0  0
  3 13  1  0  0  0  0
  3 23  1  0  0  0  0
  4  9  2  0  0  0  0
  5  8  2  0  0  0  0
  5 12  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  7  9  1  0  0  0  0
  8 11  1  0  0  0  0
  9 14  1  0  0  0  0
 10 15  1  0  0  0  0
 10 21  1  0  0  0  0
 10 22  1  0  0  0  0
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 16 32  1  0  0  0  0
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 17 33  1  0  0  0  0
 18 20  2  0  0  0  0
 18 34  1  0  0  0  0
 19 20  1  0  0  0  0
 19 35  1  0  0  0  0
 20 36  1  0  0  0  0
M  END

$$$$
D03EQN
  -OEChem-10101305032D

 39 40  0     1  0  0  0  0  0999 V2000
    6.4021   -2.5506    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
    7.9844   -3.2551    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
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    2.6443   -1.8461    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8144   -1.7416    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.5018    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2112   -1.9628    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5931   -3.1384    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    4.5018    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9790   -3.1505    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    7.8799   -2.2606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.9230   -0.0860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  5  1  0  0  0  0
  1  7  1  0  0  0  0
  1  8  2  0  0  0  0
  1 15  1  0  0  0  0
  2 10  1  0  0  0  0
  2 11  1  0  0  0  0
  2 12  2  0  0  0  0
  2 15  1  0  0  0  0
  3 17  1  0  0  0  0
  3 19  1  0  0  0  0
 16  4  1  1  0  0  0
  4 32  1  0  0  0  0
  5 20  1  0  0  0  0
  6 21  2  0  0  0  0
  7 37  1  0  0  0  0
  9 24  2  0  0  0  0
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 22 23  2  0  0  0  0
 22 33  1  0  0  0  0
 23 24  1  0  0  0  0
 23 35  1  0  0  0  0
M  END

$$$$
D03ERS
  -OEChem-10191522262D

 47 50  0     1  0  0  0  0  0999 V2000
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  1 28  1  0  0  0  0
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 21  4  1  6  0  0  0
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 29 45  1  0  0  0  0
 29 46  1  0  0  0  0
 29 47  1  0  0  0  0
M  END

$$$$
D03ESA
  -OEChem-10121500582D

 59 62  0     0  0  0  0  0  0999 V2000
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 30 32  2  0  0  0  0
 30 58  1  0  0  0  0
 31 32  1  0  0  0  0
 31 59  1  0  0  0  0
M  END

$$$$
D03ESC
  -OEChem-10101305022D

 53 53  0     0  0  0  0  0  0999 V2000
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    3.7320   -6.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7196    4.1077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1181    3.4174    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    5.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -6.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -6.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    6.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1996    4.5250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9966    4.5250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    6.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291    5.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    4.3800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 15  1  0  0  0  0
  1 46  1  0  0  0  0
  2 16  1  0  0  0  0
  2 47  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3 24  1  0  0  0  0
  3 25  1  0  0  0  0
  4  6  1  0  0  0  0
  4 26  1  0  0  0  0
  4 27  1  0  0  0  0
  5  7  1  0  0  0  0
  5 28  1  0  0  0  0
  5 29  1  0  0  0  0
  6  8  1  0  0  0  0
  6 30  1  0  0  0  0
  6 31  1  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 11  1  0  0  0  0
  9 36  1  0  0  0  0
  9 37  1  0  0  0  0
 10 12  2  0  0  0  0
 10 13  1  0  0  0  0
 11 14  2  0  0  0  0
 11 38  1  0  0  0  0
 12 16  1  0  0  0  0
 12 39  1  0  0  0  0
 13 15  2  0  0  0  0
 13 40  1  0  0  0  0
 14 18  1  0  0  0  0
 14 41  1  0  0  0  0
 15 17  1  0  0  0  0
 16 17  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
 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 48  1  0  0  0  0
 21 22  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
 23 53  1  0  0  0  0
M  END

$$$$
D03ETD
  -OEChem-10101305032D

 62 64  0     1  0  0  0  0  0999 V2000
    6.7880    0.1713    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5644    3.0690    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0690    3.9518    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7195   -1.0841    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8787   -1.3537    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8787   -3.0857    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8787   -3.0857    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0468    1.1372    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.3056    2.1031    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.8787    0.3784    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.1375    1.3443    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.5690    3.0857    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.5116   -0.1060    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.7026    1.2953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.3008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3787   -0.4877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0036    1.8443    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.1992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8787   -1.3537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3787   -0.4877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4951   -0.5358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5303    3.3279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.3008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8787   -1.3537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3787   -2.2197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3787   -2.2197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.1992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3787   -0.4877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3787   -3.9518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8787   -3.0857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4699   -0.0878    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6294    0.9669    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0864    3.4273    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0298   -0.4961    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2234    1.6887    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3136    1.3074    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5405    2.1543    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6936    2.3812    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4490    3.9518    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3335   -0.6742    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1306   -0.6742    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2588   -1.4990    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2587   -1.3537    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6887    0.0493    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0567   -0.9742    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9335   -0.9742    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9335   -0.0974    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6908    2.7290    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1292    3.4883    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3699    3.9267    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.9208    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    0.1108    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.8192    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.9157   -0.7977    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.6887    0.0493    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8418   -0.1777    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8418   -4.2618    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6887   -4.4887    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9157   -3.6418    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8787   -3.7057    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.4987   -3.0857    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8787   -2.4657    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  8  1  1  1  0  0  0
  1 21  1  0  0  0  0
  9  2  1  1  0  0  0
  2 22  1  0  0  0  0
 12  3  1  1  0  0  0
  3 39  1  0  0  0  0
 13  4  1  1  0  0  0
  4 42  1  0  0  0  0
  5 24  1  0  0  0  0
  5 28  1  0  0  0  0
  6 25  1  0  0  0  0
  6 29  1  0  0  0  0
  7 26  1  0  0  0  0
  7 30  1  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 11  1  0  0  0  0
  9 12  1  0  0  0  0
  9 14  1  0  0  0  0
 10 11  1  0  0  0  0
 10 16  1  6  0  0  0
 10 31  1  0  0  0  0
 11 17  1  1  0  0  0
 11 32  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
 14 15  2  0  0  0  0
 14 35  1  0  0  0  0
 15 18  1  0  0  0  0
 16 19  2  0  0  0  0
 16 20  1  0  0  0  0
 17 36  1  0  0  0  0
 17 37  1  0  0  0  0
 17 38  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 25  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 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 27  2  0  0  0  0
 23 51  1  0  0  0  0
 24 26  1  0  0  0  0
 25 26  2  0  0  0  0
 27 52  1  0  0  0  0
 27 53  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
 30 60  1  0  0  0  0
 30 61  1  0  0  0  0
 30 62  1  0  0  0  0
M  END

$$$$
D03ETK
  -OEChem-10101305022D

 28 28  0     1  0  0  0  0  0999 V2000
    2.8660   -3.0600    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.9400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.4400    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.4400    0.0000 C   0  0  3  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
    2.8660   -0.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.9400    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
    3.7320   -0.5600    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
    3.7320   -1.5600    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   -3.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4682    1.8650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6540    1.5226    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2554    0.8323    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2881    0.4031    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    0.6300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9081    1.4769    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
    4.2690   -0.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951    2.7500    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
    4.2690   -1.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    3.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -3.0231    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -3.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   -4.0969    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  1  0  0  0  0
  1 13  1  0  0  0  0
  2  3  1  0  0  0  0
  2 25  1  0  0  0  0
  3  4  1  0  0  0  0
  3 22  1  0  0  0  0
  4  5  1  0  0  0  0
  4  7  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
  5 16  1  0  0  0  0
  6  8  2  0  0  0  0
  6  9  1  0  0  0  0
  7 17  1  0  0  0  0
  7 18  1  0  0  0  0
  7 19  1  0  0  0  0
  8 10  1  0  0  0  0
  8 20  1  0  0  0  0
  9 11  2  0  0  0  0
  9 21  1  0  0  0  0
 10 12  2  0  0  0  0
 10 23  1  0  0  0  0
 11 12  1  0  0  0  0
 11 24  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
M  END

$$$$
D03ETT
  -OEChem-10101305022D

109110  0     1  0  0  0  0  0999 V2000
    6.3301    5.2306    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    4.2306    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.1244    2.7306    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.7306    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    2.7306    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.2583   -0.7694    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5263    5.2306    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603   -3.2694    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942   -1.7694    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    3.7306    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    4.2306    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.3923    0.7306    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.3923    2.7306    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942    4.2306    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603    3.7306    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.5263   -1.7694    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.0673    5.8184    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.7583    6.7694    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    2.7306    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.1962    3.7306    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.3301    2.2306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1244    0.7306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2583    1.2306    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.5981    4.2306    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   14.9904    1.2306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    4.2306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    5.2306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    2.2306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    1.2306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2583    2.2306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3923    3.7306    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   15.8564    0.7306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9904    2.2306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    5.7306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    5.7306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2583    4.2306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    3.7306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 53108  1  0  0  0  0
 54109  1  0  0  0  0
M  END

$$$$
D03ETX
  -OEChem-10101305022D

 37 39  0     0  0  0  0  0  0999 V2000
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 20 36  1  0  0  0  0
 21 37  1  0  0  0  0
M  END

$$$$
D03EXD
  -OEChem-10101305032D

 36 38  0     1  0  0  0  0  0999 V2000
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    2.3291   -4.6550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  1 31  1  0  0  0  0
  2 19  1  0  0  0  0
  2 36  1  0  0  0  0
  3 20  2  0  0  0  0
  3 21  1  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  4 22  1  0  0  0  0
  5  8  2  0  0  0  0
  5  9  1  0  0  0  0
  6 10  2  0  0  0  0
  6 11  1  0  0  0  0
  6 12  1  0  0  0  0
  7 13  2  0  0  0  0
  7 14  1  0  0  0  0
  8 10  1  0  0  0  0
  8 23  1  0  0  0  0
  9 11  2  0  0  0  0
  9 24  1  0  0  0  0
 10 25  1  0  0  0  0
 11 26  1  0  0  0  0
 12 15  2  0  0  0  0
 12 16  1  0  0  0  0
 13 20  1  0  0  0  0
 13 27  1  0  0  0  0
 14 21  2  0  0  0  0
 14 28  1  0  0  0  0
 15 17  1  0  0  0  0
 15 29  1  0  0  0  0
 16 18  2  0  0  0  0
 16 30  1  0  0  0  0
 17 19  2  0  0  0  0
 17 32  1  0  0  0  0
 18 19  1  0  0  0  0
 18 33  1  0  0  0  0
 20 34  1  0  0  0  0
 21 35  1  0  0  0  0
M  END

$$$$
D03EYA
  -OEChem-10191521452D

 27 27  0     1  0  0  0  0  0999 V2000
    2.5369   -1.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.7500    0.0000 C   0  0  3  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
    3.4030   -0.7500    0.0000 C   0  0  3  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
    4.2690   -1.2500    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
    4.2690   -2.2500    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
    3.4030    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8059    1.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1909    0.8326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7924    0.1423    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -1.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7456    0.1423    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3471    0.8326    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
    3.6490   -2.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -2.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8890   -2.2500    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   -0.9400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    2.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.9400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  1 25  1  0  0  0  0
  2  3  1  0  0  0  0
  2  5  1  0  0  0  0
  2  8  1  0  0  0  0
  2 12  1  0  0  0  0
  3  4  1  0  0  0  0
  3 13  1  0  0  0  0
  3 14  1  0  0  0  0
  4  6  1  0  0  0  0
  4 15  1  0  0  0  0
  5  7  1  0  0  0  0
  5 16  1  0  0  0  0
  5 17  1  0  0  0  0
  6  7  2  0  0  0  0
  6  9  1  0  0  0  0
  7 18  1  0  0  0  0
  8 10  1  0  0  0  0
  8 11  2  0  0  0  0
  9 19  1  0  0  0  0
  9 20  1  0  0  0  0
  9 21  1  0  0  0  0
 10 22  1  0  0  0  0
 10 23  1  0  0  0  0
 10 24  1  0  0  0  0
 11 26  1  0  0  0  0
 11 27  1  0  0  0  0
M  END

$$$$
D03EYI
  -OEChem-10101305022D

 37 39  0     0  0  0  0  0  0999 V2000
    3.7320   -0.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.7500    0.0000 N   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
    5.4641    2.7500    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
    4.5981    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
    6.3301    3.2500    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
    5.4641   -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    4.2500    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
    2.8660   -2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    4.7500    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
    2.0000   -3.2500    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
    2.0000   -4.2500    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
    2.8660   -4.7500    0.0000 C   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
    6.8671    2.9400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0611    2.9400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.8700    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
    6.8671    4.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0611    4.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    5.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -1.4400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -2.9400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -2.9400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -4.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -4.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -5.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1 17  1  0  0  0  0
  2 17  2  0  0  0  0
  3 15  1  0  0  0  0
  3 17  1  0  0  0  0
  3 32  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  2  0  0  0  0
  4  8  1  0  0  0  0
  5  9  2  0  0  0  0
  5 10  1  0  0  0  0
  6  7  1  0  0  0  0
  6 23  1  0  0  0  0
  7 11  2  0  0  0  0
  8 12  2  0  0  0  0
  8 24  1  0  0  0  0
  9 13  1  0  0  0  0
  9 25  1  0  0  0  0
 10 14  2  0  0  0  0
 10 26  1  0  0  0  0
 11 12  1  0  0  0  0
 11 27  1  0  0  0  0
 12 28  1  0  0  0  0
 13 16  2  0  0  0  0
 13 29  1  0  0  0  0
 14 16  1  0  0  0  0
 14 30  1  0  0  0  0
 15 18  2  0  0  0  0
 15 19  1  0  0  0  0
 16 31  1  0  0  0  0
 18 20  1  0  0  0  0
 18 33  1  0  0  0  0
 19 21  2  0  0  0  0
 19 34  1  0  0  0  0
 20 22  2  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 37  1  0  0  0  0
M  END

$$$$
D03FAG
  -OEChem-10101305022D

 37 39  0     0  0  0  0  0  0999 V2000
    2.3100    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3100    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3100   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3100    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3100    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1760    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4440   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8100   -0.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4440    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1760   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8100    0.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4440   -2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8100   -0.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1760    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4440    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1760   -2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8100    0.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3100    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3100   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3100    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.5369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.5369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7130    1.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9070   -1.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5000   -1.4030    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9070    1.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7130   -1.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5000    1.4030    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7130    2.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9070   -2.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1200   -1.4030    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9070    2.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7130   -2.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1200    1.4030    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9300    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3100   -3.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3100    3.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 21  1  0  0  0  0
  1 22  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  7  2  0  0  0  0
  3 10  1  0  0  0  0
  4  6  2  0  0  0  0
  4  9  1  0  0  0  0
  5  8  2  0  0  0  0
  5 11  1  0  0  0  0
  6 14  1  0  0  0  0
  6 23  1  0  0  0  0
  7 12  1  0  0  0  0
  7 24  1  0  0  0  0
  8 13  1  0  0  0  0
  8 25  1  0  0  0  0
  9 15  2  0  0  0  0
  9 26  1  0  0  0  0
 10 16  2  0  0  0  0
 10 27  1  0  0  0  0
 11 17  2  0  0  0  0
 11 28  1  0  0  0  0
 12 19  2  0  0  0  0
 12 30  1  0  0  0  0
 13 18  2  0  0  0  0
 13 31  1  0  0  0  0
 14 20  2  0  0  0  0
 14 29  1  0  0  0  0
 15 20  1  0  0  0  0
 15 32  1  0  0  0  0
 16 19  1  0  0  0  0
 16 33  1  0  0  0  0
 17 18  1  0  0  0  0
 17 34  1  0  0  0  0
 18 35  1  0  0  0  0
 19 36  1  0  0  0  0
 20 37  1  0  0  0  0
M  END

$$$$
D03FAI
  -OEChem-10101305022D

 61 60  0     0  0  0  0  0  0999 V2000
    3.4030   -2.6900    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.9030   -1.8240    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9030   -3.5560    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -2.1900    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -3.1900    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991   -2.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331   -2.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651   -2.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -2.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3312   -2.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6613    0.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7953    0.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6613    1.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7953   -0.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -2.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1972   -2.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5273    2.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9292   -1.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -2.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0632   -2.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5273    3.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9292   -2.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3933    3.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2006   -3.1650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9976   -3.1650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1316   -1.7150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3346   -1.7150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8637   -1.7150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0666   -1.7150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4685   -3.1650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2656   -3.1650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9326   -3.1650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7297   -3.1650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.8733    0.2274    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.2719    0.9177    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.5832    0.8926    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.1847    0.2023    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.4492    2.3926    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.0507    1.7023    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3996   -1.7150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6025   -1.7150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.0073   -1.2726    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.4058   -0.5823    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
  4 19  1  0  0  0  0
  4 56  1  0  0  0  0
  5 60  1  0  0  0  0
  5 61  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6 24  1  0  0  0  0
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  7  9  1  0  0  0  0
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 13 17  1  0  0  0  0
 13 38  1  0  0  0  0
 13 39  1  0  0  0  0
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 14 42  1  0  0  0  0
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 15 19  1  0  0  0  0
 15 40  1  0  0  0  0
 15 41  1  0  0  0  0
 16 20  1  0  0  0  0
 16 44  1  0  0  0  0
 16 45  1  0  0  0  0
 17 21  1  0  0  0  0
 17 46  1  0  0  0  0
 17 47  1  0  0  0  0
 18 22  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
 20 22  2  0  0  0  0
 20 52  1  0  0  0  0
 21 23  1  0  0  0  0
 21 53  1  0  0  0  0
 21 54  1  0  0  0  0
 22 55  1  0  0  0  0
 23 57  1  0  0  0  0
 23 58  1  0  0  0  0
 23 59  1  0  0  0  0
M  END

$$$$
D03FAX
  -OEChem-10101305032D

 41 44  0     1  0  0  0  0  0999 V2000
    4.5390    1.1801    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6730   -0.3199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5092   -1.7682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9819   -2.2033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8368   -1.7682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5092   -0.8027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9819   -1.1580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8368   -0.8027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6730   -2.0710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.2510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8876   -2.6801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6730    0.6801    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.8070    1.1801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8070    2.1801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5390    2.1801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6730    2.6801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8912   -2.3858    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1 35  1  0  0  0  0
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 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
 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 16  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 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
M  END

$$$$
D03FBI
  -OEChem-10101305032D

 32 33  0     0  0  0  0  0  0999 V2000
    6.0010   -3.5950    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -3.5950    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    3.9050    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -1.5950    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
    3.4030   -2.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -2.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.1350   -3.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -3.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -0.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -3.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    1.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 10 12  2  0  0  0  0
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 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 16 25  1  0  0  0  0
 17 26  1  0  0  0  0
M  END

$$$$
D03FBS
  -OEChem-10101305022D

 36 37  0     0  0  0  0  0  0999 V2000
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   10.7263   -0.8342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 18 33  1  0  0  0  0
 19 34  1  0  0  0  0
 19 35  1  0  0  0  0
 19 36  1  0  0  0  0
M  END

$$$$
D03FCU
  -OEChem-10101305022D

 42 44  0     0  0  0  0  0  0999 V2000
    5.4804   -0.2524    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.7822    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.7822    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4920    2.8169    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.2822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.2822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4920    0.7475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.7822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1893   -2.2723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.2822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3406   -0.7624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.7822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    2.2822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1777   -3.2722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3291   -1.7623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981    1.2614    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0610   -1.7823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2124   -0.2724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981    2.3030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0726   -0.7824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0379   -3.7822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.2178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    3.7822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.1622    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    3.4022    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5684   -3.1575    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9589   -3.8523    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7886   -2.0661    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9338    0.9493    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5943   -2.0985    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2196    0.3475    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9338    2.6151    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6131   -0.4786    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7217   -4.3155    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5712   -4.0984    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3541   -3.2489    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3800   -0.2178    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.8378    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6200   -0.2178    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6200    3.7822    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    4.4022    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3800    3.7822    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1 11  1  0  0  0  0
  2 10  1  0  0  0  0
  2 22  1  0  0  0  0
  3 13  1  0  0  0  0
  3 23  1  0  0  0  0
  4  6  2  0  0  0  0
  4 19  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  2  0  0  0  0
  5  8  1  0  0  0  0
  6 12  1  0  0  0  0
  7 16  1  0  0  0  0
  8 10  2  0  0  0  0
  8 24  1  0  0  0  0
  9 14  1  0  0  0  0
  9 15  2  0  0  0  0
  9 17  1  0  0  0  0
 10 13  1  0  0  0  0
 11 15  1  0  0  0  0
 11 18  2  0  0  0  0
 12 13  2  0  0  0  0
 12 25  1  0  0  0  0
 14 21  1  0  0  0  0
 14 26  1  0  0  0  0
 14 27  1  0  0  0  0
 15 28  1  0  0  0  0
 16 19  2  0  0  0  0
 16 29  1  0  0  0  0
 17 20  2  0  0  0  0
 17 30  1  0  0  0  0
 18 20  1  0  0  0  0
 18 31  1  0  0  0  0
 19 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
 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
 23 41  1  0  0  0  0
 23 42  1  0  0  0  0
M  END

$$$$
D03FDC
  -OEChem-10101305032D

 24 23  0     0  0  0  0  0  0999 V2000
    4.5981    0.2500    0.0000 P   0  3  0  0  0  0  0  0  0  0  0  0
    5.4641    0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.7500    0.0000 O   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
    2.8660    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7932   -0.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5062    0.2131    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
    6.8862    1.2869    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7101   -0.7500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -1.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9501   -0.7500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100    1.2869    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    1.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900    0.2131    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2460   -0.7500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4860   -0.7500    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
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5  8  1  0  0  0  0
  5 11  1  0  0  0  0
  6  9  1  0  0  0  0
  6 10  1  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
  7 15  1  0  0  0  0
  8 16  1  0  0  0  0
  8 17  1  0  0  0  0
  8 18  1  0  0  0  0
  9 19  1  0  0  0  0
  9 20  1  0  0  0  0
  9 21  1  0  0  0  0
 10 22  1  0  0  0  0
 10 23  1  0  0  0  0
 10 24  1  0  0  0  0
M  CHG  1   1   1
M  END

$$$$
D03FEI
  -OEChem-10101305022D

 41 41  0     1  0  0  0  0  0999 V2000
    3.0000   -0.5000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    2.5000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.0000   -0.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -4.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8660    2.0000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.8660    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7320    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7320    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5981    4.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5981    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1340   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8660   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1340   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8660   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1340   -5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8660    2.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0781    0.4174    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4766    1.1077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9441    1.9174    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3426    2.6077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7880    1.0826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3894    0.3923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5200    4.0826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    6.2087    4.1077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    3.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    5.5981    5.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    1.5970   -1.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4030   -1.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5970   -3.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4030   -3.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8240   -4.4631    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5970   -5.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4440   -5.5369    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 12  1  0  0  0  0
  2  6  1  0  0  0  0
  2 31  1  0  0  0  0
  5 18  1  0  0  0  0
  5 19  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6 20  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 10  1  0  0  0  0
  8 23  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 11  1  0  0  0  0
 10 27  1  0  0  0  0
 10 28  1  0  0  0  0
 11 13  1  0  0  0  0
 11 29  1  0  0  0  0
 11 30  1  0  0  0  0
 12 14  2  0  0  0  0
 12 15  1  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 16  1  0  0  0  0
 14 35  1  0  0  0  0
 15 17  2  0  0  0  0
 15 36  1  0  0  0  0
 16 18  2  0  0  0  0
 16 37  1  0  0  0  0
 17 18  1  0  0  0  0
 17 38  1  0  0  0  0
 19 39  1  0  0  0  0
 19 40  1  0  0  0  0
 19 41  1  0  0  0  0
M  END

$$$$
D03FEV
  -OEChem-10101305032D

 23 23  0     0  0  0  0  0  0999 V2000
    3.7320   -0.5000    0.0000 O   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
    5.4641   -2.5000    0.0000 N   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
    4.5981   -1.0000    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
    5.4641   -0.5000    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
    6.3301   -1.0000    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
    2.2554    1.1077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6540    0.4174    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3426    0.3923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9441    1.0826    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
    2.3100    3.0369    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
    1.6900    1.9631    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
    4.0611   -2.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -0.6900    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
  1  5  1  0  0  0  0
  1  6  1  0  0  0  0
  2  4  1  0  0  0  0
  2  7  1  0  0  0  0
  2 16  1  0  0  0  0
  3  9  1  0  0  0  0
  3 11  2  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 14  1  0  0  0  0
  5 15  1  0  0  0  0
  6  8  1  0  0  0  0
  6  9  2  0  0  0  0
  7 17  1  0  0  0  0
  7 18  1  0  0  0  0
  7 19  1  0  0  0  0
  8 10  2  0  0  0  0
  8 20  1  0  0  0  0
  9 21  1  0  0  0  0
 10 11  1  0  0  0  0
 10 22  1  0  0  0  0
 11 23  1  0  0  0  0
M  END

$$$$
D03FFI
  -OEChem-10101305022D

 40 41  0     0  0  0  0  0  0999 V2000
    9.4651   -1.5173    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -1.5173    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -0.5173    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -0.0173    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -0.0173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331   -0.5173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -0.5173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991   -0.0173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -0.0173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651   -0.5173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3312   -0.0173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0632   -0.0173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1972   -0.5173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0632    0.9827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  7  9  1  0  0  0  0
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 10 11  1  0  0  0  0
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 13 32  1  0  0  0  0
 14 16  1  0  0  0  0
 14 19  2  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
 18 20  1  0  0  0  0
 18 35  1  0  0  0  0
 19 21  1  0  0  0  0
 19 36  1  0  0  0  0
 20 21  2  0  0  0  0
 20 37  1  0  0  0  0
 21 38  1  0  0  0  0
M  END

$$$$
D03FGM
  -OEChem-10101305022D

 46 48  0     1  0  0  0  0  0999 V2000
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    7.7331    2.9400    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    7.7331    0.9400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    2.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1 23  2  0  0  0  0
  2  5  1  0  0  0  0
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 10 33  1  0  0  0  0
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 20 42  1  0  0  0  0
 21 22  1  0  0  0  0
 21 43  1  0  0  0  0
 22 44  1  0  0  0  0
M  END

$$$$
D03FHV
  -OEChem-10101305032D

 67 70  0     1  0  0  0  0  0999 V2000
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 35 67  1  0  0  0  0
M  END

$$$$
D03FIE
          08280900592D 1   1.00000     0.00000     0

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 10  5  2  0     0  0
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  1 11  1  0     0  0
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 26 27  1  0     0  0
 12 13  1  0     0  0
 20 28  1  0     0  0
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 28 29  1  0     0  0
M  END

$$$$
D03FJH
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 69 71  2  0  0  0  0
 69143  1  0  0  0  0
 70 71  1  0  0  0  0
 70144  1  0  0  0  0
 71145  1  0  0  0  0
M  END

$$$$
D03FJK
  -OEChem-10101305022D

 41 42  0     1  0  0  0  0  0999 V2000
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    8.5864   -2.6245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2162   -2.9747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2362   -1.2543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.1350    1.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.5369    0.3200    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  1  0  0  0  0
  2 18  2  0  0  0  0
  3 18  1  0  0  0  0
  3 40  1  0  0  0  0
  3 41  1  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
  4  9  1  0  0  0  0
  5  6  1  0  0  0  0
  5 20  1  0  0  0  0
  5 21  1  0  0  0  0
  6 10  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
  7 25  1  0  0  0  0
  8 26  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
  9 31  1  0  0  0  0
 10 32  1  0  0  0  0
 10 33  1  0  0  0  0
 10 34  1  0  0  0  0
 11 12  1  0  0  0  0
 11 14  2  0  0  0  0
 12 13  2  0  0  0  0
 13 15  1  0  0  0  0
 13 17  1  0  0  0  0
 14 16  1  0  0  0  0
 14 35  1  0  0  0  0
 15 16  2  0  0  0  0
 15 36  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 19  1  0  0  0  0
 19 39  1  0  0  0  0
M  END

$$$$
D03FJM
  -OEChem-10101305022D

 28 27  0     1  0  0  0  0  0999 V2000
    2.5369   -2.8450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1 14  1  0  0  0  0
  1 25  1  0  0  0  0
  2 14  2  0  0  0  0
  3  7  1  0  0  0  0
  4  7  2  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
 12  6  1  1  0  0  0
  6 23  1  0  0  0  0
  6 24  1  0  0  0  0
  8 15  1  0  0  0  0
  8 26  1  0  0  0  0
  8 27  1  0  0  0  0
  9 15  2  0  0  0  0
  9 28  1  0  0  0  0
 10 11  1  0  0  0  0
 10 13  1  0  0  0  0
 10 16  1  0  0  0  0
 10 17  1  0  0  0  0
 11 12  1  0  0  0  0
 11 18  1  0  0  0  0
 11 19  1  0  0  0  0
 12 14  1  0  0  0  0
 12 22  1  0  0  0  0
 13 20  1  0  0  0  0
 13 21  1  0  0  0  0
M  CHG  2   3  -1   7   1
M  END

$$$$
D03FJS
  -OEChem-10101305022D

 91 94  0     1  0  0  0  0  0999 V2000
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   10.8552   -2.4168    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
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   12.6675   -0.6120    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    9.0792   -2.4236    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   10.8552   -0.4168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6675   -2.2215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.2511   -1.4168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   17.8241    4.0149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.2800   -0.5158    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2538    0.0582    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   12.4164   -2.7884    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.2049   -2.5307    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   13.7120   -1.0020    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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M  END

$$$$
D03FKF
  -OEChem-10191522382D

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M  END

$$$$
D03FNQ
  -OEChem-10101305022D

 51 54  0     0  0  0  0  0  0999 V2000
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 12 37  1  0  0  0  0
 12 38  1  0  0  0  0
 13 35  1  0  0  0  0
 13 36  1  0  0  0  0
 15 16  2  0  0  0  0
 15 18  1  0  0  0  0
 16 19  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 20  2  0  0  0  0
 18 42  1  0  0  0  0
 19 21  2  0  0  0  0
 19 43  1  0  0  0  0
 20 21  1  0  0  0  0
 21 44  1  0  0  0  0
 22 23  1  0  0  0  0
 23 46  1  0  0  0  0
 23 47  1  0  0  0  0
 24 26  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
 25 30  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 50  1  0  0  0  0
 29 51  1  0  0  0  0
M  END

$$$$
D03FOD
  -OEChem-10101305022D

 29 29  0     0  0  0  0  0  0999 V2000
    4.2690   -2.0950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -3.0950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -2.0950    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    2.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    1.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    3.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4030    2.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4030    2.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    0.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -0.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -0.0950    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
    3.4030   -1.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0230    3.4050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    4.0250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4030    1.7850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0230    2.4050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4030    3.0250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4030    3.0250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7830    2.4050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4030    1.7850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7830    3.4050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.2150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8059    1.2150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.4050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8059   -0.4050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.7850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.4050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 14  2  0  0  0  0
  2  3  1  0  0  0  0
  2 29  1  0  0  0  0
  3 14  1  0  0  0  0
  3 28  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  2  0  0  0  0
  5 10  1  0  0  0  0
  6 15  1  0  0  0  0
  6 16  1  0  0  0  0
  6 23  1  0  0  0  0
  7 17  1  0  0  0  0
  7 18  1  0  0  0  0
  7 19  1  0  0  0  0
  8 20  1  0  0  0  0
  8 21  1  0  0  0  0
  8 22  1  0  0  0  0
  9 11  1  0  0  0  0
  9 24  1  0  0  0  0
 10 12  2  0  0  0  0
 10 25  1  0  0  0  0
 11 13  2  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
 13 14  1  0  0  0  0
M  END

$$$$
D03FOM
  -OEChem-10101305022D

 31 33  0     0  0  0  0  0  0999 V2000
    7.2241   -0.0520    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -2.0173    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.4827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    1.4827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.4827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.0173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.0173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.4827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.9827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2241    2.0173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1301    0.4619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.0173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1301    1.5035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.4827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.5173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.0173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9942   -0.0415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.0173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.5173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.6373    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0611    1.7927    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    2.6027    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2169    2.6373    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6659    1.8156    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.1027    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.1373    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    0.2927    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6822   -0.5772    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5300   -0.3535    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3063    0.4943    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -1.3273    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1 11  2  0  0  0  0
  2 19  3  0  0  0  0
  3  6  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  5  2  0  0  0  0
  4  9  1  0  0  0  0
  4 10  1  0  0  0  0
  5  6  1  0  0  0  0
  6 20  1  0  0  0  0
  7 12  1  0  0  0  0
  7 14  2  0  0  0  0
  8  9  2  0  0  0  0
  8 21  1  0  0  0  0
  9 22  1  0  0  0  0
 10 13  2  0  0  0  0
 10 23  1  0  0  0  0
 11 13  1  0  0  0  0
 11 17  1  0  0  0  0
 12 15  2  0  0  0  0
 12 19  1  0  0  0  0
 13 24  1  0  0  0  0
 14 16  1  0  0  0  0
 14 25  1  0  0  0  0
 15 18  1  0  0  0  0
 15 26  1  0  0  0  0
 16 18  2  0  0  0  0
 16 27  1  0  0  0  0
 17 28  1  0  0  0  0
 17 29  1  0  0  0  0
 17 30  1  0  0  0  0
 18 31  1  0  0  0  0
M  END

$$$$
D03FPH
  -OEChem-10101305022D

 28 29  0     0  0  0  0  0  0999 V2000
    3.7320    2.5000    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.0000    0.0000 O   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   -2.5000    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
    2.8660   -1.0000    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
    3.7320    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
    5.4641    0.5000    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
    6.3301    1.0000    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
    4.2690   -0.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3335   -2.9750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1306   -2.9750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2554   -1.8923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6540   -2.5826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8101   -2.5826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2087   -1.8923    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
    5.4641    3.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    0.6900    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
  1 13  1  0  0  0  0
  2  9  2  0  0  0  0
  3 10  2  0  0  0  0
  4 11  2  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 18  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6 19  1  0  0  0  0
  6 20  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 10  1  0  0  0  0
  8 23  1  0  0  0  0
  8 24  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  2  0  0  0  0
 13 15  2  0  0  0  0
 14 16  1  0  0  0  0
 14 25  1  0  0  0  0
 15 17  1  0  0  0  0
 15 26  1  0  0  0  0
 16 17  2  0  0  0  0
 16 27  1  0  0  0  0
 17 28  1  0  0  0  0
M  END

$$$$
D03FPQ
  -OEChem-10191522362D

 35 36  0     0  0  0  0  0  0999 V2000
    6.3301   -2.8080    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.8080    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -3.8080    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9128    2.5284    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.1920    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.1920    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.6920    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2437    1.7853    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.8080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.3080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.3080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.3080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.8080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -2.3080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.6920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    2.1920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4347    3.1865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4128    3.3944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8195    4.3080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.3080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -4.3080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -0.9980    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951   -2.6180    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0611    0.5020    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9272    2.0020    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9739    3.6014    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3859    4.0558    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0717    4.8744    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2531    4.5602    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -0.7711    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -1.6180    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   -1.8449    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4220   -3.7710    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951   -4.6180    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0420   -4.8449    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 14  1  0  0  0  0
  2 10  1  0  0  0  0
  2 20  1  0  0  0  0
  3 13  1  0  0  0  0
  3 21  1  0  0  0  0
  4  8  1  0  0  0  0
  4 18  1  0  0  0  0
  5 15  2  0  0  0  0
  6  9  1  0  0  0  0
  6 15  1  0  0  0  0
  6 24  1  0  0  0  0
  7 15  1  0  0  0  0
  7 16  1  0  0  0  0
  7 25  1  0  0  0  0
  8 16  2  0  0  0  0
  9 10  1  0  0  0  0
  9 11  2  0  0  0  0
 10 12  2  0  0  0  0
 11 14  1  0  0  0  0
 11 22  1  0  0  0  0
 12 13  1  0  0  0  0
 12 23  1  0  0  0  0
 13 14  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 26  1  0  0  0  0
 18 19  1  0  0  0  0
 19 27  1  0  0  0  0
 19 28  1  0  0  0  0
 19 29  1  0  0  0  0
 20 30  1  0  0  0  0
 20 31  1  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 35  1  0  0  0  0
M  END

$$$$
D03FQJ
  -OEChem-10101305022D

 32 32  0     1  0  0  0  0  0999 V2000
    3.7320    2.2500    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    4.2500    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.4641    3.2500    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.4641    3.2500    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    1.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    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
    4.5981    0.7500    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
    4.5981    1.7500    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.8660   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 18 32  1  0  0  0  0
M  END

$$$$
D03FQP
  -OEChem-10191522232D

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 50115  1  0  0  0  0
M  END

$$$$
D03FQU
  -OEChem-10101305022D

 69 71  0     1  0  0  0  0  0999 V2000
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 34 36  1  0  0  0  0
 34 65  1  0  0  0  0
 36 66  1  0  0  0  0
M  END

$$$$
D03FTE
  -OEChem-10101305022D

 43 47  0     0  0  0  0  0  0999 V2000
   10.8505    2.0093    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 25 42  1  0  0  0  0
 26 43  1  0  0  0  0
M  END

$$$$
D03FVK
  -OEChem-10101305022D

 47 50  0     1  0  0  0  0  0999 V2000
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    2.8660    3.0416    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  1  0  0  0  0
  1 15  1  0  0  0  0
 12  2  1  1  0  0  0
  2 36  1  0  0  0  0
 14  3  1  1  0  0  0
  3 37  1  0  0  0  0
  4 16  1  0  0  0  0
  4 39  1  0  0  0  0
  5 10  1  0  0  0  0
  5 24  1  0  0  0  0
 13  6  1  6  0  0  0
  6 17  1  0  0  0  0
  6 18  1  0  0  0  0
  7 18  2  0  0  0  0
  7 19  1  0  0  0  0
  8 17  1  0  0  0  0
  8 21  2  0  0  0  0
  9 20  2  0  0  0  0
  9 21  1  0  0  0  0
 10 20  1  0  0  0  0
 10 40  1  0  0  0  0
 11 28  2  0  0  0  0
 11 29  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 12 30  1  0  0  0  0
 13 31  1  0  0  0  0
 14 15  1  0  0  0  0
 14 32  1  0  0  0  0
 15 16  1  6  0  0  0
 15 33  1  0  0  0  0
 16 34  1  0  0  0  0
 16 35  1  0  0  0  0
 17 19  2  0  0  0  0
 18 38  1  0  0  0  0
 19 20  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  3  0  0  0  0
 23 25  1  0  0  0  0
 24 41  1  0  0  0  0
 24 42  1  0  0  0  0
 24 43  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 44  1  0  0  0  0
 27 29  2  0  0  0  0
 27 45  1  0  0  0  0
 28 46  1  0  0  0  0
 29 47  1  0  0  0  0
M  END

$$$$
D03FXI
  -OEChem-10101305032D

 32 33  0     0  0  0  0  0  0999 V2000
    3.7320    3.8450    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.7320    3.8450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7320    3.8450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -5.1550    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.7320   -5.1550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.1550    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    4.8450    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -4.6550    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    3.7320    2.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    2.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.3450    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
    2.8660   -1.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.6550    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
    3.7320   -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
    2.0000   -3.1550    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
    2.3291    2.6550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    2.6550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291    1.0350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    1.0350    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
    4.2690   -1.8450    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -0.3450    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
    4.2690   -3.4650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    5.1550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951    5.1550    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  7  1  0  0  0  0
  1  9  1  0  0  0  0
  4  8  1  0  0  0  0
  5  8  2  0  0  0  0
  6 10  1  0  0  0  0
  6 16  2  0  0  0  0
  7 31  1  0  0  0  0
  7 32  1  0  0  0  0
  8 19  1  0  0  0  0
  9 11  2  0  0  0  0
  9 12  1  0  0  0  0
 10 13  2  0  0  0  0
 10 14  1  0  0  0  0
 11 13  1  0  0  0  0
 11 22  1  0  0  0  0
 12 14  2  0  0  0  0
 12 23  1  0  0  0  0
 13 24  1  0  0  0  0
 14 25  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  2  0  0  0  0
 15 18  1  0  0  0  0
 16 28  1  0  0  0  0
 17 20  1  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 20  2  0  0  0  0
 19 21  1  0  0  0  0
 20 29  1  0  0  0  0
 21 30  1  0  0  0  0
M  CHG  2   4  -1   8   1
M  END

$$$$
D03FZK
  -OEChem-10101305022D

  1  0  0     0  0  0  0  0  0999 V2000
    2.0000    0.0000    0.0000 Br  0  5  0  0  0  0  0  0  0  0  0  0
M  CHG  1   1  -1
M  END

$$$$
D03GAN
  MDL     03130710102D 1   1.00000     0.00000     0

 36 38  0     0  0            999 V2000
    1.3292   -6.7750    0.0000 C   0  0  0  0  0  0           0  0  0
    1.3333   -8.1917    0.0000 C   0  0  0  0  0  0           0  0  0
    0.7167   -7.1333    0.0000 C   0  0  3  0  0  0           0  0  0
    0.7167   -7.8417    0.0000 N   0  0  0  0  0  0           0  0  0
    1.3292   -6.0667    0.0000 C   0  0  0  0  0  0           0  0  0
    1.3333   -8.9000    0.0000 C   0  0  0  0  0  0           0  0  0
    2.5583   -8.8958    0.0000 C   0  0  0  0  0  0           0  0  0
    3.1708   -9.2500    0.0000 C   0  0  0  0  0  0           0  0  0
    1.9458   -9.2542    0.0000 C   0  0  0  0  0  0           0  0  0
    1.9417   -7.1292    0.0000 O   0  0  0  0  0  0           0  0  0
    1.9458   -7.8375    0.0000 O   0  0  0  0  0  0           0  0  0
    0.1042   -6.7792    0.0000 C   0  0  0  0  0  0           0  0  0
    1.9417   -5.7125    0.0000 O   0  0  0  0  0  0           0  0  0
    0.7125   -5.7167    0.0000 N   0  0  0  0  0  0           0  0  0
    3.7833   -8.8917    0.0000 C   0  0  0  0  0  0           0  0  0
    6.2333   -8.1792    0.0000 N   0  0  3  0  0  0           0  0  0
    5.6167   -7.8250    0.0000 C   0  0  0  0  0  0           0  0  0
    5.0042   -8.1833    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.5125   -7.1333    0.0000 C   0  0  0  0  0  0           0  0  0
    3.7750   -8.1875    0.0000 C   0  0  0  0  0  0           0  0  0
    4.3958   -9.2458    0.0000 C   0  0  0  0  0  0           0  0  0
    5.0083   -8.8917    0.0000 C   0  0  0  0  0  0           0  0  0
    4.3875   -7.8292    0.0000 C   0  0  0  0  0  0           0  0  0
    0.7208   -9.2542    0.0000 C   0  0  0  0  0  0           0  0  0
    1.9458   -9.9667    0.0000 C   0  0  0  0  0  0           0  0  0
    6.2333   -8.8875    0.0000 C   0  0  0  0  0  0           0  0  0
    6.8417   -7.8208    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.1208   -6.7792    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.5042   -7.8417    0.0000 C   0  0  0  0  0  0           0  0  0
    7.4583   -8.1708    0.0000 C   0  0  0  0  0  0           0  0  0
    6.8500   -9.2375    0.0000 C   0  0  0  0  0  0           0  0  0
    0.7208   -9.9667    0.0000 C   0  0  0  0  0  0           0  0  0
    1.3333  -10.3208    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.1125   -8.1958    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.7333   -7.1375    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.7333   -7.8458    0.0000 C   0  0  0  0  0  0           0  0  0
  2  4  1  0     0  0
  3  1  1  0     0  0
  4  3  1  0     0  0
  5  1  1  0     0  0
  6  2  1  0     0  0
  7  9  1  0     0  0
  8  7  2  0     0  0
  9  6  2  0     0  0
 10  1  2  0     0  0
 11  2  2  0     0  0
 12  3  1  0     0  0
 13  5  2  0     0  0
 14  5  1  0     0  0
 15  8  1  0     0  0
 16 17  1  0     0  0
 17 18  1  0     0  0
 18 23  1  0     0  0
 19 12  1  0     0  0
 20 15  1  0     0  0
 21 15  2  0     0  0
 22 21  1  0     0  0
 23 20  2  0     0  0
 24  6  1  0     0  0
 25  9  1  0     0  0
 26 16  1  0     0  0
 27 16  1  0     0  0
 28 19  2  0     0  0
 29 19  1  0     0  0
 30 27  1  0     0  0
 31 26  1  0     0  0
 32 24  2  0     0  0
 33 32  1  0     0  0
 34 29  2  0     0  0
 35 28  1  0     0  0
 36 34  1  0     0  0
 36 35  2  0     0  0
 25 33  2  0     0  0
 18 22  2  0     0  0
M  END

$$$$
D03GAQ
  -OEChem-10101305022D

 24 26  0     0  0  0  0  0  0999 V2000
    8.0619   -0.3203    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4783    0.4845    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4783   -1.1250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660   -1.3203    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000    0.1797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321    0.1797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321   -0.8203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000   -0.8203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660    0.6797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9061    0.7144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9061   -1.3549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0619   -0.3203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.2005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.8411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9176    1.7143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660    1.2997    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6709    1.0738    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6709   -1.7143    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9132   -1.9749    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4643    0.5126    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4643   -1.1531    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5376    1.7072    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9248    2.3343    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2977    1.7215    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  2  0  0  0  0
  2  6  1  0  0  0  0
  2 12  1  0  0  0  0
  2 17  1  0  0  0  0
  3  7  1  0  0  0  0
  3 12  1  0  0  0  0
  3 18  1  0  0  0  0
  4  7  2  0  0  0  0
  4  8  1  0  0  0  0
  5  8  1  0  0  0  0
  5  9  1  0  0  0  0
  5 10  2  0  0  0  0
  6  7  1  0  0  0  0
  6  9  2  0  0  0  0
  8 11  2  0  0  0  0
  9 16  1  0  0  0  0
 10 13  1  0  0  0  0
 10 15  1  0  0  0  0
 11 14  1  0  0  0  0
 11 19  1  0  0  0  0
 13 14  2  0  0  0  0
 13 20  1  0  0  0  0
 14 21  1  0  0  0  0
 15 22  1  0  0  0  0
 15 23  1  0  0  0  0
 15 24  1  0  0  0  0
M  END

$$$$
D03GBO
  -OEChem-10101305022D

 19 20  0     0  0  0  0  0  0999 V2000
    3.7320   -1.6970    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.3030    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.6279   -0.5631    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6279    1.1690    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5443    1.1077    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.1970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.8030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1279    0.3030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5443   -0.5018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.6970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.3030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.1970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.8030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1279    0.3030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7369   -1.0911    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7369    1.6970    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.9230    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -0.5070    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2479   -0.5631    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
  2 13  1  0  0  0  0
  3 14  1  0  0  0  0
  3 19  1  0  0  0  0
  4 14  2  0  0  0  0
  5  7  1  0  0  0  0
  5  8  1  0  0  0  0
  5 16  1  0  0  0  0
  6  7  2  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
  8  9  2  0  0  0  0
  8 14  1  0  0  0  0
  9 15  1  0  0  0  0
 10 12  2  0  0  0  0
 11 13  2  0  0  0  0
 11 17  1  0  0  0  0
 12 13  1  0  0  0  0
 12 18  1  0  0  0  0
M  END

$$$$
D03GDP
  -OEChem-10101305022D

 62 64  0     0  0  0  0  0  0999 V2000
   10.7262   -2.0922    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9778    0.9424    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6044    2.4771    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1961   -2.1163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3320   -2.6197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0602   -1.6130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -2.1230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6928   -1.2522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6994   -2.9804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5923   -1.5922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8602   -1.5922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8602   -0.5922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9663   -2.1268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6000   -2.6263    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5923   -0.5922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0602   -0.5714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7262   -0.0922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9663   -0.0575    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.1297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0923   -2.4582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5923   -1.5922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5023   -0.0853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7102    0.9493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8680   -2.6330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 10 15  1  0  0  0  0
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 13 39  1  0  0  0  0
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 14 40  1  0  0  0  0
 14 41  1  0  0  0  0
 15 17  2  0  0  0  0
 15 22  1  0  0  0  0
 16 18  1  0  0  0  0
 16 42  1  0  0  0  0
 17 23  1  0  0  0  0
 19 24  1  0  0  0  0
 19 43  1  0  0  0  0
 19 44  1  0  0  0  0
 20 48  1  0  0  0  0
 20 49  1  0  0  0  0
 20 50  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 26  2  0  0  0  0
 22 51  1  0  0  0  0
 23 25  2  0  0  0  0
 23 52  1  0  0  0  0
 24 27  1  0  0  0  0
 24 53  1  0  0  0  0
 24 54  1  0  0  0  0
 25 26  1  0  0  0  0
 26 55  1  0  0  0  0
 27 57  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

$$$$
D03GES
  -OEChem-10101305032D

 44 47  0     0  0  0  0  0  0999 V2000
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    4.5981    1.0566    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7320   -1.4434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.4434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.9434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4071    1.6444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7891    1.6444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.4434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0981    2.5955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8660   -2.9434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8660   -4.9434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  8  1  0  0  0  0
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  6  8  1  0  0  0  0
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 10 13  1  0  0  0  0
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 18 21  2  0  0  0  0
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 22 43  1  0  0  0  0
 23 44  1  0  0  0  0
M  END

$$$$
D03GHN
  -OEChem-10191521322D

 33 32  0     1  0  0  0  0  0999 V2000
    8.0622   -0.5950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    9.7942   -0.5950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8660    0.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0000    0.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942    0.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9316   -0.0699    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1  8  1  0  0  0  0
  1 32  1  0  0  0  0
  2 13  1  0  0  0  0
  2 33  1  0  0  0  0
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  4 14  1  0  0  0  0
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  7 20  1  0  0  0  0
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  8 11  1  0  0  0  0
  8 22  1  0  0  0  0
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 10 12  1  0  0  0  0
 10 25  1  0  0  0  0
 10 26  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 29  1  0  0  0  0
 12 30  1  0  0  0  0
 12 31  1  0  0  0  0
M  END

$$$$
D03GJB
  -OEChem-04152108512D

 35 37  0     0  0  0  0  0  0999 V2000
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M  END

$$$$
D03GNM
  -OEChem-10101305022D

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103210  1  0  0  0  0
M  END

$$$$
D03GON
  -OEChem-10101305022D

 50 53  0     0  0  0  0  0  0999 V2000
    8.2619   -1.2373    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 25 26  2  0  0  0  0
 25 49  1  0  0  0  0
 26 50  1  0  0  0  0
M  END

$$$$
D03GPH
  -OEChem-10101305022D

 55 55  0     0  0  0  0  0  0999 V2000
    2.8660   -5.7500    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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 23 24  1  0  0  0  0
 23 55  1  0  0  0  0
M  END

$$$$
D03GQF
  -OEChem-10101305032D

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M  END

$$$$
D03GQI
  -OEChem-10101305022D

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    3.4013    3.5262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5823    1.8036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0714   -2.5262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4067    3.4216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5878    1.6991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.5081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4700    0.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2357    3.3881    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4743   -0.7162    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6684   -0.7162    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4743   -2.3362    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6684   -2.3362    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6534    4.0926    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9467    1.3020    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0423    3.9232    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3356    1.1327    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3834    2.4433    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 18  1  0  0  0  0
  2  7  2  0  0  0  0
  3  9  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  9  1  0  0  0  0
  5 22  1  0  0  0  0
  6  7  1  0  0  0  0
  6  9  1  0  0  0  0
  6 10  2  0  0  0  0
  8 12  2  0  0  0  0
  8 13  1  0  0  0  0
 10 11  1  0  0  0  0
 10 23  1  0  0  0  0
 11 16  2  0  0  0  0
 11 17  1  0  0  0  0
 12 14  1  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 18  2  0  0  0  0
 14 26  1  0  0  0  0
 15 18  1  0  0  0  0
 15 27  1  0  0  0  0
 16 19  1  0  0  0  0
 16 28  1  0  0  0  0
 17 20  2  0  0  0  0
 17 29  1  0  0  0  0
 19 21  2  0  0  0  0
 19 30  1  0  0  0  0
 20 21  1  0  0  0  0
 20 31  1  0  0  0  0
 21 32  1  0  0  0  0
M  END

$$$$
D03GRA
  -OEChem-10121500012D

 21 20  0     1  0  0  0  0  0999 V2000
    4.6350    0.6645    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -0.7015    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    0.2985    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    6.8671   -1.2015    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -0.2015    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.2690   -0.7015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    0.2985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6350   -1.0675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -0.2015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -0.2015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8705   -1.1764    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6675   -1.1764    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3996    0.7735    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6025    0.7735    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0981   -1.3775    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9450   -1.6044    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1720   -0.7575    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8015    0.2735    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0044    0.2735    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9450    1.2015    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.3915    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  5  1  1  6  0  0  0
  1 20  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
  4 10  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
  6  9  1  0  0  0  0
  6 11  1  0  0  0  0
  6 12  1  0  0  0  0
  7 10  1  0  0  0  0
  7 13  1  0  0  0  0
  7 14  1  0  0  0  0
  8 15  1  0  0  0  0
  8 16  1  0  0  0  0
  8 17  1  0  0  0  0
  9 18  1  0  0  0  0
  9 19  1  0  0  0  0
M  CHG  1   3  -1
M  END

$$$$
D03GVL
  -OEChem-10101305032D

 33 34  0     1  0  0  0  0  0999 V2000
    6.8909   -3.1217    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    5.0298   -0.6571    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1330   -2.4172    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4608   -0.3481    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3031   -2.3126    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4888    0.9307    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4787   -3.9307    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6999   -2.5339    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0819   -3.7094    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2208    3.9307    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2208    0.9307    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0868    1.4307    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3548    2.4307    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7208   -1.6082    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.4118   -0.6571    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.7208   -1.6082    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.2208   -0.0693    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.3086   -2.4172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3548    1.4307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0868    2.4307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2208    2.9307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1085   -1.5112    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9734   -1.0955    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3332   -1.5112    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6684    0.2122    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7514   -2.6890    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4795   -3.0132    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3852   -2.9836    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.7629    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8179    2.7407    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6238    2.7407    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6351   -1.9173    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0953   -3.8659    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
  1  9  2  0  0  0  0
  2 16  1  0  0  0  0
  2 17  1  0  0  0  0
 14  3  1  1  0  0  0
  3 28  1  0  0  0  0
 15  4  1  1  0  0  0
  4 29  1  0  0  0  0
  5 18  1  0  0  0  0
  6 19  2  0  0  0  0
  7 33  1  0  0  0  0
  8 32  1  0  0  0  0
 10 21  2  0  0  0  0
 11 12  1  0  0  0  0
 11 17  1  0  0  0  0
 11 19  1  0  0  0  0
 12 20  2  0  0  0  0
 13 19  1  0  0  0  0
 13 21  1  0  0  0  0
 13 30  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 14 22  1  0  0  0  0
 15 17  1  0  0  0  0
 15 23  1  0  0  0  0
 16 18  1  6  0  0  0
 16 24  1  0  0  0  0
 17 25  1  0  0  0  0
 18 26  1  0  0  0  0
 18 27  1  0  0  0  0
 20 21  1  0  0  0  0
 20 31  1  0  0  0  0
M  END

$$$$
D03GWA
  -OEChem-10101305022D

 36 38  0     1  0  0  0  0  0999 V2000
    6.0290    1.5774    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    4.2690   -1.4573    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -0.4573    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -1.9573    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.9350    1.0635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    1.0427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9350    0.0219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    0.0427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0290   -0.4920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7991   -0.4814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -0.4573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    1.5427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0174    2.5773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    0.0427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    1.0427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7953   -1.4814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6671    0.0152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6594   -1.9848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5312   -0.4881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5273   -1.4881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5459    0.9574    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1441    1.6472    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0218   -1.1119    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    2.1627    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6374    2.5845    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0102    3.1973    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3974    2.5701    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.3527    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2571   -1.7894    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6694    0.6352    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6570   -2.6048    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0693   -0.1802    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.1473    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -1.0773    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0630   -1.8002    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -2.5773    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1  6  1  0  0  0  0
  1 13  1  0  0  0  0
  2  4  2  0  0  0  0
  2 11  1  0  0  0  0
  3 14  1  0  0  0  0
  3 33  1  0  0  0  0
  3 34  1  0  0  0  0
  4 36  1  0  0  0  0
  5  7  1  0  0  0  0
  5 21  1  0  0  0  0
  5 22  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
  7 10  1  0  0  0  0
  8  9  1  0  0  0  0
  8 11  1  0  0  0  0
  9 23  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
 12 15  2  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 27  1  0  0  0  0
 14 15  1  0  0  0  0
 15 28  1  0  0  0  0
 16 18  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 31  1  0  0  0  0
 19 20  1  0  0  0  0
 19 32  1  0  0  0  0
 20 35  1  0  0  0  0
M  END

$$$$
D03GXQ
  -OEChem-10191523032D

  9  8  0     0  0  0  0  0  0999 V2000
    2.0000   -0.0600    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.0600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.4400    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.4400    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
    3.2646    0.9149    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4675    0.9149    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    0.1300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  3  5  1  0  0  0  0
  3  8  1  0  0  0  0
  3  9  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4  7  1  0  0  0  0
M  END

$$$$
D03GYS
  -OEChem-04152109492D

 38 40  0     0  0  0  0  0  0999 V2000
    5.5443   -0.3853    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.1900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1279   -1.1900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5443   -1.9947    0.0000 N   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
    3.7320   -0.1900    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   -0.6900    0.0000 C   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
    4.5981   -1.6900    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
    3.7320   -2.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1279   -1.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1279   -1.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6279   -0.3240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6279   -2.0560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6279   -0.3240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6279   -2.0560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1279   -1.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3426    0.7023    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9441    1.3926    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2554    1.4177    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6540    0.7274    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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 10 12  2  0  0  0  0
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 14 16  1  0  0  0  0
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 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
M  END

$$$$
D03HBG
  -OEChem-10101305022D

 53 57  0     1  0  0  0  0  0999 V2000
    4.3142    0.9265    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
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   13.0774   -0.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   11.6837    3.3934    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0000   -0.3559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1714   -0.2230    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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 13  3  1  1  0  0  0
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 15  4  1  1  0  0  0
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 18 20  2  0  0  0  0
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 20 21  1  0  0  0  0
 23 24  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
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 24 28  2  0  0  0  0
 25 45  1  0  0  0  0
 25 46  1  0  0  0  0
 26 27  2  0  0  0  0
 26 29  1  0  0  0  0
 27 30  1  0  0  0  0
 28 47  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

$$$$
D03HBZ
  -OEChem-10101305022D

 42 44  0     1  0  0  0  0  0999 V2000
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 20 41  1  0  0  0  0
 21 42  1  0  0  0  0
M  END

$$$$
D03HCR
  -OEChem-10101305022D

 30 30  0     1  0  0  0  0  0999 V2000
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  5  7  1  6  0  0  0
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  6  8  1  0  0  0  0
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  7  9  1  0  0  0  0
  7 17  1  0  0  0  0
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  9 22  1  0  0  0  0
 11 23  1  0  0  0  0
 11 24  1  0  0  0  0
 11 25  1  0  0  0  0
 12 26  1  0  0  0  0
 12 27  1  0  0  0  0
 12 28  1  0  0  0  0
M  END

$$$$
D03HCT
  -OEChem-10101305022D

 56 59  0     0  0  0  0  0  0999 V2000
    2.0000    1.2704    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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 29 31  2  0  0  0  0
 30 31  1  0  0  0  0
 30 55  1  0  0  0  0
 31 56  1  0  0  0  0
M  END

$$$$
D03HDS
  -OEChem-10101305032D

 79 83  0     1  0  0  0  0  0999 V2000
    8.8857   -1.5416    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
   10.6178   -1.5416    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
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 46 78  1  0  0  0  0
 46 79  1  0  0  0  0
M  END

$$$$
D03HFH
  -OEChem-10101305032D

 37 38  0     1  0  0  0  0  0999 V2000
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 10 27  1  0  0  0  0
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 16 35  1  0  0  0  0
 17 18  1  0  0  0  0
 17 36  1  0  0  0  0
 18 37  1  0  0  0  0
M  END

$$$$
D03HFM
  -OEChem-10101305022D

 63 63  0     1  0  0  0  0  0999 V2000
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 10 11  1  0  0  0  0
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 16 47  1  0  0  0  0
 16 48  1  0  0  0  0
 17 21  1  0  0  0  0
 17 49  1  0  0  0  0
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 20 22  1  0  0  0  0
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 22 25  1  0  0  0  0
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 23 24  1  0  0  0  0
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 25 26  2  0  0  0  0
 25 62  1  0  0  0  0
 26 63  1  0  0  0  0
M  END

$$$$
D03HHP
  -OEChem-10101305022D

 11 10  0     0  0  0  0  0  0999 V2000
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  1  5  1  0  0  0  0
  1 11  1  0  0  0  0
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  4  6  2  0  0  0  0
  6  9  1  0  0  0  0
  6 10  1  0  0  0  0
M  END

$$$$
D03HJW
  -OEChem-10191522112D

 74 77  0     1  0  0  0  0  0999 V2000
   13.2619    2.5981    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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 27 63  1  0  0  0  0
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 31 67  1  0  0  0  0
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 41 42  2  0  0  0  0
 41 73  1  0  0  0  0
 42 74  1  0  0  0  0
M  END

$$$$
D03HJZ
          01220518562D 1   1.00000     0.00000     0

 23 27  0     0  0            999 V2000
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 10 15  1  0     0  0
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 12  8  1  0     0  0
 13  1  1  0     0  0
 14  6  1  0     0  0
 15  1  1  0     0  0
 16  1  1  0     0  0
 17  1  1  0     0  0
 18  5  2  0     0  0
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 22 10  1  0     0  0
 23 12  1  0     0  0
 11 21  1  0     0  0
 22  9  1  0     0  0
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 14  2  2  0     0  0
M  END

$$$$
D03HKV
  -OEChem-10121500552D

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 10 12  2  0  0  0  0
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 13 23  1  0  0  0  0
 13 24  1  0  0  0  0
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 14 28  1  0  0  0  0
 14 29  1  0  0  0  0
M  END

$$$$
D03HLH
  -OEChem-10101305022D

 35 37  0     0  0  0  0  0  0999 V2000
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M  END

$$$$
D03HLK
          04040901032D 1   1.00000     0.00000     0

 39 43  0     0  0            999 V2000
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  4  5  1  0     0  0
 19 20  1  0     0  0
 10 11  1  0     0  0
 20 21  1  0     0  0
 11 14  2  0     0  0
 21 22  2  0     0  0
 22 23  1  0     0  0
 13 12  2  0     0  0
 23 24  2  0     0  0
 12  9  1  0     0  0
 24 25  1  0     0  0
 13 14  1  0     0  0
 25 26  2  0     0  0
 26 21  1  0     0  0
  5  6  2  0     0  0
 24 27  1  0     0  0
  6  7  1  0     0  0
 17 28  1  0     0  0
  7  8  1  0     0  0
 28 29  2  0     0  0
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 29 30  1  0     0  0
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 30 31  2  0     0  0
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 31 32  1  0     0  0
 13 18  1  0     0  0
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 33 28  1  0     0  0
 14 15  1  0     0  0
 31 34  1  0     0  0
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 34 35  1  0     0  0
 16 17  1  0     0  0
 34 36  2  0     0  0
 35  2  1  0     0  0
  2  8  1  0     0  0
 17 18  1  0     0  0
  6 37  1  0     0  0
  9 10  2  0     0  0
 18 38  2  0     0  0
 10 19  1  0     0  0
 16 39  2  0     0  0
M  END

$$$$
D03HLU
  -OEChem-10101305022D

 36 35  0     0  0  0  0  0  0999 V2000
    3.4030   -0.2685    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
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   11.1972    0.2315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.0632   -0.2685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.6647   -0.7434    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.4617   -0.7434    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   13.2392   -0.3054    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  1  0  0  0  0
  1  5  2  0  0  0  0
  2 14  1  0  0  0  0
  3 35  1  0  0  0  0
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  7  9  1  0  0  0  0
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 15 32  1  0  0  0  0
 15 33  1  0  0  0  0
 15 34  1  0  0  0  0
M  END

$$$$
D03HMM
  -OEChem-10121500362D

124125  0     1  0  0  0  0  0999 V2000
   10.1725    0.6490    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   13.7689    0.9069    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
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    6.3301   -5.4050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   14.1847    2.8632    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   15.3436    4.1504    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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 50105  1  0  0  0  0
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 51107  1  0  0  0  0
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 52110  1  0  0  0  0
 52111  1  0  0  0  0
 52112  1  0  0  0  0
 53 56  2  0  0  0  0
 53113  1  0  0  0  0
 54 56  1  0  0  0  0
 54114  1  0  0  0  0
 55115  1  0  0  0  0
 55116  1  0  0  0  0
M  END

$$$$
D03HNC
  -OEChem-10101305022D

 33 35  0     0  0  0  0  0  0999 V2000
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 16 30  1  0  0  0  0
 17 28  1  0  0  0  0
 18 29  1  0  0  0  0
 19 31  1  0  0  0  0
M  END

$$$$
D03HQE
  -OEChem-04152110492D

 51 51  0     1  0  0  0  0  0999 V2000
    0.0000    5.6097    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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 10  5  1  1  0  0  0
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 17 39  1  0  0  0  0
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 27 46  1  0  0  0  0
 27 47  1  0  0  0  0
 27 48  1  0  0  0  0
M  END

$$$$
D03HQF
  -OEChem-10101305022D

 28 29  0     1  0  0  0  0  0999 V2000
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    4.4908   -2.6915    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 14  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  8  1  0  0  0  0
  3 25  1  0  0  0  0
  3 26  1  0  0  0  0
  4  6  1  0  0  0  0
  4  8  1  0  0  0  0
  4 15  1  0  0  0  0
  5  7  1  0  0  0  0
  5  9  1  0  0  0  0
  5 16  1  0  0  0  0
  6  7  1  0  0  0  0
  6 17  1  0  0  0  0
  6 18  1  0  0  0  0
  7 19  1  0  0  0  0
  7 20  1  0  0  0  0
  8 21  1  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
 10 12  1  0  0  0  0
 10 23  1  0  0  0  0
 11 13  2  0  0  0  0
 11 24  1  0  0  0  0
 12 14  2  0  0  0  0
 12 27  1  0  0  0  0
 13 14  1  0  0  0  0
 13 28  1  0  0  0  0
M  END

$$$$
D03HQK
  -OEChem-10101305032D

 31 33  0     0  0  0  0  0  0999 V2000
    5.5686    0.7730    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.7215    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3776   -0.6283    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.2215    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.9535    1.8944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5468    0.9809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.7215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.2215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0468    0.1149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9480    1.9990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3657    2.7035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.2215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.3548    2.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7320   -3.2215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -3.2215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7670    3.7215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8660   -1.7215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0611   -0.4115    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6634    0.0501    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3125    1.4974    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7491    2.6386    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -1.9115    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9714    2.9773    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4080    4.1186    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951   -3.5315    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -3.5315    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0192    4.2879    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -4.3415    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  8  1  0  0  0  0
  2  7  1  0  0  0  0
  2  8  1  0  0  0  0
  2 21  1  0  0  0  0
  3  8  2  0  0  0  0
  3  9  1  0  0  0  0
  4 20  3  0  0  0  0
  5  6  1  0  0  0  0
  5 10  2  0  0  0  0
  5 11  1  0  0  0  0
  6  9  2  0  0  0  0
  7 12  1  0  0  0  0
  7 13  2  0  0  0  0
  9 22  1  0  0  0  0
 10 14  1  0  0  0  0
 10 23  1  0  0  0  0
 11 15  2  0  0  0  0
 11 24  1  0  0  0  0
 12 16  2  0  0  0  0
 12 20  1  0  0  0  0
 13 17  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
 15 18  1  0  0  0  0
 15 27  1  0  0  0  0
 16 19  1  0  0  0  0
 16 28  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
M  END

$$$$
D03HTT
  -OEChem-10101305022D

 46 50  0     0  0  0  0  0  0999 V2000
    4.6660    2.0173    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000   -0.4827    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000    0.5173    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.5035    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321   -0.4827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660   -0.9827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660   -1.9827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321    0.5173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000   -2.4827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660    1.0173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000   -3.4827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4260   -1.0173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321   -2.4827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4260    1.0520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000    2.5173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660   -3.9827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9061   -1.9480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321   -3.4827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.3321    0.5381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000    3.5173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9061   -4.0173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9340    2.0173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.4618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.3560    4.5543    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    1.5310    3.8273    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
  1 15  1  0  0  0  0
  1 32  1  0  0  0  0
  2  3  1  0  0  0  0
  2  6  2  0  0  0  0
  3 10  2  0  0  0  0
  4 22  2  0  0  0  0
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  5  6  1  0  0  0  0
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  5 12  2  0  0  0  0
  6  7  1  0  0  0  0
  7  9  1  0  0  0  0
  7 13  2  0  0  0  0
  8 10  1  0  0  0  0
  8 14  2  0  0  0  0
  9 11  2  0  0  0  0
  9 17  1  0  0  0  0
 11 16  1  0  0  0  0
 11 22  1  0  0  0  0
 12 19  1  0  0  0  0
 12 29  1  0  0  0  0
 13 18  1  0  0  0  0
 13 30  1  0  0  0  0
 14 20  1  0  0  0  0
 14 31  1  0  0  0  0
 15 21  1  0  0  0  0
 15 23  2  0  0  0  0
 16 18  2  0  0  0  0
 16 33  1  0  0  0  0
 17 24  2  0  0  0  0
 17 34  1  0  0  0  0
 18 35  1  0  0  0  0
 19 20  2  0  0  0  0
 19 36  1  0  0  0  0
 20 37  1  0  0  0  0
 21 25  2  0  0  0  0
 21 26  1  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
 24 40  1  0  0  0  0
 25 28  1  0  0  0  0
 25 41  1  0  0  0  0
 26 42  1  0  0  0  0
 26 43  1  0  0  0  0
 26 44  1  0  0  0  0
 27 28  2  0  0  0  0
 27 45  1  0  0  0  0
 28 46  1  0  0  0  0
M  END

$$$$
D03HVE
  -OEChem-04152108372D

 14 15  0     0  0  0  0  0  0999 V2000
    3.4030    1.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2152    0.3047    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    3.4030   -1.5000    0.0000 N   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
    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
    5.7988   -0.5000    0.0000 C   0  0  0  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
    5.4078    0.8941    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4188   -0.5000    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
  1  8  2  0  0  0  0
  2  6  1  0  0  0  0
  2  9  1  0  0  0  0
  2 11  1  0  0  0  0
  3  8  1  0  0  0  0
  3 10  1  0  0  0  0
  3 12  1  0  0  0  0
  4  7  1  0  0  0  0
  4  9  2  0  0  0  0
  5  7  1  0  0  0  0
  5 10  2  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  9 13  1  0  0  0  0
 10 14  1  0  0  0  0
M  END

$$$$
D03HXD
  -OEChem-10101305022D

 43 45  0     1  0  0  0  0  0999 V2000
    9.5312    0.5671    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0010   -1.4571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    0.0429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    0.5429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    0.0429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7610    0.5776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7610   -1.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6671    0.0637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.3991    0.0704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2632    0.5738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1311    0.0771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.9952    0.5804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 10 28  1  0  0  0  0
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 13 15  2  0  0  0  0
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M  END

$$$$
D03HXN
  -OEChem-10101305022D

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M  END

$$$$
D03HYZ
  -OEChem-10101305022D

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   12.6002   -0.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1 16  1  0  0  0  0
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  8 31  2  0  0  0  0
 14  9  1  1  0  0  0
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  9 40  1  0  0  0  0
 13 10  1  6  0  0  0
 10 22  1  0  0  0  0
 10 42  1  0  0  0  0
 20 11  1  6  0  0  0
 11 21  1  0  0  0  0
 11 43  1  0  0  0  0
 18 12  1  1  0  0  0
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 13 15  1  0  0  0  0
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 13 33  1  0  0  0  0
 14 16  1  0  0  0  0
 14 21  1  0  0  0  0
 14 34  1  0  0  0  0
 15 23  1  0  0  0  0
 15 35  1  0  0  0  0
 15 36  1  0  0  0  0
 16 25  1  0  0  0  0
 16 37  1  0  0  0  0
 17 18  1  0  0  0  0
 17 26  1  0  0  0  0
 17 27  1  0  0  0  0
 17 38  1  0  0  0  0
 18 30  1  0  0  0  0
 18 39  1  0  0  0  0
 20 24  1  0  0  0  0
 20 29  1  0  0  0  0
 20 41  1  0  0  0  0
 22 28  1  0  0  0  0
 22 44  1  0  0  0  0
 22 45  1  0  0  0  0
 23 31  1  0  0  0  0
 23 47  1  0  0  0  0
 23 48  1  0  0  0  0
 25 49  1  0  0  0  0
 25 50  1  0  0  0  0
 25 51  1  0  0  0  0
 26 55  1  0  0  0  0
 26 56  1  0  0  0  0
 26 57  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 32  1  0  0  0  0
 28 58  1  0  0  0  0
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 29 60  1  0  0  0  0
 29 61  1  0  0  0  0
 29 62  1  0  0  0  0
 32 64  1  0  0  0  0
 32 65  1  0  0  0  0
 32 66  1  0  0  0  0
M  END

$$$$
D03HZT
  -OEChem-10101305032D

 26 27  0     0  0  0  0  0  0999 V2000
    2.8660    1.2500    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.2500    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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    5.4641   -0.2500    0.0000 O   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
    4.5981    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.2500    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
    2.8660   -1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1 10  1  0  0  0  0
  2  9  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  2  0  0  0  0
  5  7  1  0  0  0  0
  5  9  1  0  0  0  0
  5 11  2  0  0  0  0
  6  8  1  0  0  0  0
  6 10  1  0  0  0  0
  6 12  2  0  0  0  0
  7  8  1  0  0  0  0
  9 13  2  0  0  0  0
 10 14  2  0  0  0  0
 11 16  1  0  0  0  0
 11 19  1  0  0  0  0
 12 15  1  0  0  0  0
 12 20  1  0  0  0  0
 13 17  1  0  0  0  0
 13 21  1  0  0  0  0
 14 18  1  0  0  0  0
 14 22  1  0  0  0  0
 15 18  2  0  0  0  0
 15 24  1  0  0  0  0
 16 17  2  0  0  0  0
 16 23  1  0  0  0  0
 17 25  1  0  0  0  0
 18 26  1  0  0  0  0
M  END

$$$$
D03IDK
          05141100072D 1   1.00000     0.00000     0

 42 46  0     0  0            999 V2000
   -2.5295   -1.2485    0.0000 C   0  0  0  0  0  0           0  0  0
   -2.0546   -0.9768    0.0000 C   0  0  0  0  0  0           0  0  0
   -2.0575   -0.4297    0.0000 C   0  0  0  0  0  0           0  0  0
   -2.5313   -0.1622    0.0000 C   0  0  0  0  0  0           0  0  0
   -2.9972   -0.4358    0.0000 C   0  0  0  0  0  0           0  0  0
   -2.9985   -0.9773    0.0000 C   0  0  0  0  0  0           0  0  0
   -3.4193   -1.3206    0.0000 C   0  0  0  0  0  0           0  0  0
   -3.4289   -0.0968    0.0000 C   0  0  0  0  0  0           0  0  0
   -3.9528   -1.2076    0.0000 C   0  0  0  0  0  0           0  0  0
   -3.9577   -0.2247    0.0000 C   0  0  0  0  0  0           0  0  0
   -4.1937   -0.7133    0.0000 N   0  0  3  0  0  0           0  0  0
   -4.7312   -0.7229    0.0000 C   0  0  0  0  0  0           0  0  0
   -5.0109   -0.2529    0.0000 C   0  0  0  0  0  0           0  0  0
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  8 10  1  0     0  0
 20 21  1  0     0  0
  1  2  2  0     0  0
 21 22  2  0     0  0
  9 11  1  0     0  0
 22 23  1  0     0  0
 10 11  1  0     0  0
 23 24  2  0     0  0
  6  1  1  0     0  0
 24 25  1  0     0  0
 11 12  1  0     0  0
 25 26  2  0     0  0
 26 21  1  0     0  0
  5  6  2  0     0  0
 24 27  1  0     0  0
 12 13  1  0     0  0
 23 28  1  0     0  0
  2  3  1  0     0  0
 28 29  1  0     0  0
 13 14  1  0     0  0
 29 30  2  0     0  0
  6  7  1  0     0  0
 30 31  1  0     0  0
 13 15  2  0     0  0
 31 32  2  0     0  0
 32 33  1  0     0  0
 14 16  1  0     0  0
 33 34  2  0     0  0
 34 29  1  0     0  0
  5  8  1  0     0  0
 30 35  1  0     0  0
 14 17  1  0     0  0
 32 36  1  0     0  0
  3  4  2  0     0  0
 35 37  1  0     0  0
 36 38  1  0     0  0
  3 18  1  0     0  0
  7  9  1  0     0  0
 18 19  1  0     0  0
  4  5  1  0     0  0
  2 20  1  0     0  0
 36 42  1  0     0  0
 38 39  1  0     0  0
 39 40  1  0     0  0
 40 41  1  0     0  0
 41 42  1  0     0  0
M  END

$$$$
D03IES
  -OEChem-10191522032D

 49 51  0     1  0  0  0  0  0999 V2000
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    6.6716    2.4944    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8746    2.4944    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9440   -0.1706    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9440   -1.7906    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0780    2.7094    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2721    2.7094    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0780    4.3294    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6750    5.1394    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 20  1  0  0  0  0
  2 24  1  0  0  0  0
  3 24  1  0  0  0  0
  4 24  1  0  0  0  0
  5 10  1  0  0  0  0
  5 15  1  0  0  0  0
  8 16  1  0  0  0  0
  8 18  1  0  0  0  0
  9 26  1  0  0  0  0
  9 28  2  0  0  0  0
 10 11  1  0  0  0  0
 10 12  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 14  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 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 17  1  0  0  0  0
 15 19  2  0  0  0  0
 16 17  2  0  0  0  0
 16 21  1  0  0  0  0
 17 38  1  0  0  0  0
 18 23  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
 20 24  1  0  0  0  0
 20 42  1  0  0  0  0
 20 43  1  0  0  0  0
 21 22  2  0  0  0  0
 21 44  1  0  0  0  0
 22 45  1  0  0  0  0
 23 25  1  0  0  0  0
 23 26  2  0  0  0  0
 25 27  2  0  0  0  0
 25 46  1  0  0  0  0
 26 47  1  0  0  0  0
 27 28  1  0  0  0  0
 27 48  1  0  0  0  0
 28 49  1  0  0  0  0
M  END

$$$$
D03IHA
  -OEChem-04152111242D

 22 21  0     0  0  0  0  0  0999 V2000
    2.2383    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.0780    5.1557    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.1590    4.1473    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8601    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.6942    2.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5780    6.6945    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9511    3.1691    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    2.3179    5.4344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2690    5.7435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1100    4.4563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5780    6.6945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9902    7.5035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8870    5.7435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2316    6.0484    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6983    5.4561    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1963    3.8423    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7296    4.4347    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4918    7.8680    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6258    8.0051    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4886    7.1391    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4767    5.5519    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2383    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 22  1  0  0  0  0
  2  9  1  0  0  0  0
  2 13  1  0  0  0  0
  3  7  1  0  0  0  0
  3 10  1  0  0  0  0
  4  7  1  0  0  0  0
  5  7  2  0  0  0  0
  6 11  1  0  0  0  0
  6 13  2  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 14  1  0  0  0  0
  8 15  1  0  0  0  0
  9 11  2  0  0  0  0
 10 16  1  0  0  0  0
 10 17  1  0  0  0  0
 11 12  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 21  1  0  0  0  0
M  CHG  2   4  -1   7   1
M  END

$$$$
D03ILU
  -OEChem-10101305032D

 34 36  0     0  0  0  0  0  0999 V2000
    4.5390    2.2751    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6730   -0.2249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5092   -1.6732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8368   -1.6732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9819   -2.1083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5092   -0.7077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9819   -1.0630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8368   -0.7077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6730   -1.9760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.1560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8876   -2.5851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6730    0.7751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5390    1.2751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1016   -1.8559    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8912   -2.2908    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8478   -2.7136    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6383   -0.5470    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6247   -0.1251    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2262   -0.8153    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3885   -1.2425    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1198   -0.8153    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7212   -0.1251    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5782   -3.1224    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4127   -2.9147    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5188   -1.7651    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8068   -2.7451    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3030   -2.4735    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0430   -2.4735    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4609    1.3577    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0624    0.6674    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7511    0.6925    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1496    1.3828    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0760    2.5851    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0021    2.5851    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  1  0  0  0  0
  1 33  1  0  0  0  0
  1 34  1  0  0  0  0
  2  6  1  0  0  0  0
  2  7  1  0  0  0  0
  2  8  1  0  0  0  0
  2 12  1  0  0  0  0
  3  6  1  0  0  0  0
  3  9  1  0  0  0  0
  3 11  1  0  0  0  0
  3 14  1  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
  4 15  1  0  0  0  0
  5  7  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  5 16  1  0  0  0  0
  6 21  1  0  0  0  0
  6 22  1  0  0  0  0
  7 17  1  0  0  0  0
  7 20  1  0  0  0  0
  8 18  1  0  0  0  0
  8 19  1  0  0  0  0
  9 27  1  0  0  0  0
  9 28  1  0  0  0  0
 10 25  1  0  0  0  0
 10 26  1  0  0  0  0
 11 23  1  0  0  0  0
 11 24  1  0  0  0  0
 12 13  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
M  END

$$$$
D03IMY
  -OEChem-10101305022D

 33 33  0     0  0  0  0  0  0999 V2000
    4.5981   -2.9400    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.0600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -2.9400    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   -1.4400    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
    3.7320    1.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.0600    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
    4.5981   -0.9400    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
    5.4641   -1.4400    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
    5.4641   -2.4400    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
    7.1962   -2.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1215    0.6677    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5200   -0.0226    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3426    1.4523    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9441    2.1426    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2087   -0.0477    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8101    0.6426    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2554    2.1677    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6540    1.4774    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9875   -0.8323    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3860   -1.5226    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4766    2.9523    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0781    3.6426    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100    4.0969    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    3.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900    3.0231    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -3.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331   -1.1300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 14  1  0  0  0  0
  2 15  2  0  0  0  0
  3 16  2  0  0  0  0
  4 14  1  0  0  0  0
  4 16  1  0  0  0  0
  4 32  1  0  0  0  0
  5 15  1  0  0  0  0
  5 16  1  0  0  0  0
  5 33  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  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 19  1  0  0  0  0
  7 20  1  0  0  0  0
  8 10  1  0  0  0  0
  8 21  1  0  0  0  0
  8 22  1  0  0  0  0
  9 11  1  0  0  0  0
  9 23  1  0  0  0  0
  9 24  1  0  0  0  0
 10 12  1  0  0  0  0
 10 25  1  0  0  0  0
 10 26  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  2  0  0  0  0
 12 15  1  0  0  0  0
 13 29  1  0  0  0  0
 13 30  1  0  0  0  0
 13 31  1  0  0  0  0
M  END

$$$$
D03IMZ
  -OEChem-10101305032D

 11 11  0     0  0  0  0  0  0999 V2000
    2.0000   -0.9837    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5691   -1.2927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4901    1.6899    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8913    0.6718    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8090   -1.5715    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3090   -0.0327    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3090   -0.0327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6180   -0.9837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8968    0.7764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8090   -2.1915    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8545    2.1915    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1  6  1  0  0  0  0
  2  8  2  0  0  0  0
  3  9  1  0  0  0  0
  3 11  1  0  0  0  0
  4  9  2  0  0  0  0
  5  8  1  0  0  0  0
  5 10  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
M  END

$$$$
D03IPZ
  -OEChem-10101305022D

 36 38  0     0  0  0  0  0  0999 V2000
    7.1777   -3.5272    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.4804   -0.5074    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.5272    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.5272    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4920    2.5619    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.0272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.0272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4920    0.4926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.5272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.0272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.5272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    2.0272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981    1.0064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981    2.0480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3406   -1.0174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3291   -2.0173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2124   -0.5274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1893   -2.5273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0726   -1.0374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.4728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0610   -2.0373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    3.5272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.0928    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    3.1472    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9338    0.6943    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9338    2.3601    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7886   -2.3211    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2196    0.0925    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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 10 12  1  0  0  0  0
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 13 14  2  0  0  0  0
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 16 27  1  0  0  0  0
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 17 28  1  0  0  0  0
 18 21  2  0  0  0  0
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 20 31  1  0  0  0  0
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 20 33  1  0  0  0  0
 21 30  1  0  0  0  0
 22 34  1  0  0  0  0
 22 35  1  0  0  0  0
 22 36  1  0  0  0  0
M  END

$$$$
D03IQX
  -OEChem-10101305022D

 33 36  0     0  0  0  0  0  0999 V2000
    4.6038    2.2535    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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  2  4  1  0  0  0  0
  2  8  1  0  0  0  0
  3 11  2  0  0  0  0
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  4  6  2  0  0  0  0
  5  7  1  0  0  0  0
  5 12  2  0  0  0  0
  6  9  1  0  0  0  0
  6 11  1  0  0  0  0
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  7 15  2  0  0  0  0
  8 13  2  0  0  0  0
  8 14  1  0  0  0  0
  9 10  2  0  0  0  0
  9 23  1  0  0  0  0
 10 24  1  0  0  0  0
 11 13  1  0  0  0  0
 12 16  1  0  0  0  0
 12 25  1  0  0  0  0
 13 26  1  0  0  0  0
 14 18  1  0  0  0  0
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 15 17  1  0  0  0  0
 15 27  1  0  0  0  0
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 16 28  1  0  0  0  0
 17 29  1  0  0  0  0
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 20 22  1  0  0  0  0
 20 31  1  0  0  0  0
 21 22  2  0  0  0  0
 21 32  1  0  0  0  0
 22 33  1  0  0  0  0
M  END

$$$$
D03IRR
  -OEChem-10101305022D

 26 27  0     1  0  0  0  0  0999 V2000
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    4.5691    0.9139    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
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  1  6  2  0  0  0  0
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  2  5  1  0  0  0  0
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  3  8  1  0  0  0  0
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  5 10  2  0  0  0  0
  5 11  1  0  0  0  0
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  8 16  1  0  0  0  0
  8 17  1  0  0  0  0
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 10 12  1  0  0  0  0
 10 22  1  0  0  0  0
 11 13  2  0  0  0  0
 11 23  1  0  0  0  0
 12 14  2  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
 14 26  1  0  0  0  0
M  END

$$$$
D03ITH
  -OEChem-10101305022D

 83 89  0     1  0  0  0  0  0999 V2000
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 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 10 20  1  0  0  0  0
 10 46  1  0  0  0  0
 11 18  1  0  0  0  0
 11 47  1  0  0  0  0
 11 48  1  0  0  0  0
 12 17  1  0  0  0  0
 12 49  1  0  0  0  0
 12 50  1  0  0  0  0
 13 14  1  0  0  0  0
 13 51  1  0  0  0  0
 14 15  1  0  0  0  0
 14 52  1  0  0  0  0
 15 16  1  0  0  0  0
 15 53  1  0  0  0  0
 16 21  1  6  0  0  0
 16 54  1  0  0  0  0
 17 19  1  0  0  0  0
 17 55  1  0  0  0  0
 17 56  1  0  0  0  0
 18 19  1  0  0  0  0
 18 57  1  0  0  0  0
 18 58  1  0  0  0  0
 19 59  1  0  0  0  0
 19 60  1  0  0  0  0
 20 61  1  0  0  0  0
 20 62  1  0  0  0  0
 21 63  1  0  0  0  0
 21 64  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 25 28  1  0  0  0  0
 25 29  1  0  0  0  0
 25 30  1  0  0  0  0
 26 65  1  0  0  0  0
 27 68  1  0  0  0  0
 28 33  2  0  0  0  0
 28 36  1  0  0  0  0
 29 32  2  0  0  0  0
 29 35  1  0  0  0  0
 30 31  2  0  0  0  0
 30 34  1  0  0  0  0
 31 39  1  0  0  0  0
 31 69  1  0  0  0  0
 32 38  1  0  0  0  0
 32 70  1  0  0  0  0
 33 37  1  0  0  0  0
 33 71  1  0  0  0  0
 34 42  2  0  0  0  0
 34 72  1  0  0  0  0
 35 41  2  0  0  0  0
 35 73  1  0  0  0  0
 36 40  2  0  0  0  0
 36 74  1  0  0  0  0
 37 43  2  0  0  0  0
 37 75  1  0  0  0  0
 38 44  2  0  0  0  0
 38 76  1  0  0  0  0
 39 45  2  0  0  0  0
 39 77  1  0  0  0  0
 40 43  1  0  0  0  0
 40 78  1  0  0  0  0
 41 44  1  0  0  0  0
 41 79  1  0  0  0  0
 42 45  1  0  0  0  0
 42 80  1  0  0  0  0
 43 81  1  0  0  0  0
 44 82  1  0  0  0  0
 45 83  1  0  0  0  0
M  END

$$$$
D03IVC
  -OEChem-10101305022D

 44 46  0     1  0  0  0  0  0999 V2000
    3.7320    0.6900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.8100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7260   -1.8100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    0.6900    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    8.9282   -0.3099    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    2.1900    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    0.1900    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    8.1424   -1.0053    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.1424   -2.6147    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.1900    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.4641    0.6900    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
    6.3301   -0.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    1.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -1.3100    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
    5.4641   -1.3100    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
    8.0622    2.1900    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
    5.4641   -2.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -2.8100    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
    2.0000    0.6900    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
    7.0662   -0.2350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    2.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9272   -1.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9081    2.7269    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0611    2.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2881    1.6531    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3722    1.6531    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991    2.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7522    2.7269    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9272   -2.6200    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
    6.3301   -3.4300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100    1.2269    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    1.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900    0.1531    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2460   -0.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.4300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4860   -0.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 17  1  0  0  0  0
  1 24  1  0  0  0  0
  2 17  2  0  0  0  0
  3  8  1  0  0  0  0
  3  9  1  0  0  0  0
  4  7  1  0  0  0  0
  5  7  2  0  0  0  0
  6 14  1  0  0  0  0
  6 15  1  0  0  0  0
  6 28  1  0  0  0  0
  7 12  1  0  0  0  0
  8 16  2  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 13  1  0  0  0  0
 10 27  1  1  0  0  0
 11 14  2  0  0  0  0
 11 17  1  0  0  0  0
 12 15  2  0  0  0  0
 13 16  1  0  0  0  0
 13 18  2  0  0  0  0
 14 19  1  0  0  0  0
 15 20  1  0  0  0  0
 16 21  1  0  0  0  0
 18 22  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
 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 23  1  0  0  0  0
 22 23  2  0  0  0  0
 22 36  1  0  0  0  0
 23 38  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  1  0  0  0  0
 24 37  1  0  0  0  0
 25 39  1  0  0  0  0
 25 40  1  0  0  0  0
 25 41  1  0  0  0  0
 26 42  1  0  0  0  0
 26 43  1  0  0  0  0
 26 44  1  0  0  0  0
M  CHG  2   4  -1   7   1
M  END

$$$$
D03IVG
  -OEChem-10191522142D

 34 36  0     1  0  0  0  0  0999 V2000
    6.6706   -0.4204    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6706    1.5796    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1590   -0.3271    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9680    1.0741    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8046    0.0796    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.9385   -0.4204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8046    1.0796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0725    0.0796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5366    0.0796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9511   -1.3053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5366    1.0796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4898    0.4160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9898    1.2820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4306   -0.4550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4306    1.6143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.6143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3366    0.0588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3366    1.1004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8046   -0.5404    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5400   -0.8953    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3371   -0.8953    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5925    1.6622    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1940    0.9720    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0373   -1.9192    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5707   -1.3269    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8732    0.3512    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7377    1.8484    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4234   -1.0750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4234    2.2342    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8084   -1.0246    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4103   -1.8059    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1916   -2.2039    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8724   -0.2533    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8724    1.4125    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  7  1  0  0  0  0
  2 11  1  0  0  0  0
  3  8  1  0  0  0  0
  3 10  1  0  0  0  0
  3 12  1  0  0  0  0
  4  8  2  0  0  0  0
  4 13  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 19  1  0  0  0  0
  6  8  1  0  0  0  0
  6 20  1  0  0  0  0
  6 21  1  0  0  0  0
  7 22  1  0  0  0  0
  7 23  1  0  0  0  0
  9 11  1  0  0  0  0
  9 14  2  0  0  0  0
 10 16  1  0  0  0  0
 10 24  1  0  0  0  0
 10 25  1  0  0  0  0
 11 15  2  0  0  0  0
 12 13  2  0  0  0  0
 12 26  1  0  0  0  0
 13 27  1  0  0  0  0
 14 17  1  0  0  0  0
 14 28  1  0  0  0  0
 15 18  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 18  2  0  0  0  0
 17 33  1  0  0  0  0
 18 34  1  0  0  0  0
M  END

$$$$
D03IVU
  -OEChem-10101305032D

 63 62  0     0  0  0  0  0  0999 V2000
   16.7224   -3.0600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.9904   -3.0600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    1.9400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    3.4400    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    3.4400    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.1244    0.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1244    1.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9904   -0.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942    2.9400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603    3.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2583    1.9400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    3.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9904   -1.0600    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
    8.0622    2.9400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2583    2.9400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3923    3.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8564   -1.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    3.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.9400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8564   -2.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    2.9400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    2.9400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    3.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7224   -4.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5138    0.5477    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.9123   -0.1426    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.7349    1.3323    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.3364    2.0226    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.6010   -0.1677    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.2024    0.5226    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3957    2.4651    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1928    2.4651    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0588    3.9150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2617    3.9150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.6477    2.0477    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.0463    1.3574    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3267    3.9150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5297    3.9150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.3798   -0.9523    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.7783   -1.6426    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1278    2.4651    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9248    2.4651    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6636    2.4651    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4607    2.4651    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.7953    3.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.3923    4.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.4670   -1.6677    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.0685   -0.9774    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    4.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1306    3.9150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3335    3.9150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1996    2.4651    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9966    2.4651    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4675    2.4651    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2646    2.4651    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    4.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100    3.9769    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    3.7500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900    2.9031    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.1024   -4.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.7224   -4.6800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.3424   -4.0600    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 21  2  0  0  0  0
  3 22  2  0  0  0  0
  4 15  1  0  0  0  0
  4 22  1  0  0  0  0
  4 50  1  0  0  0  0
  5 20  1  0  0  0  0
  5 22  1  0  0  0  0
  5 57  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6 26  1  0  0  0  0
  6 27  1  0  0  0  0
  7 11  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 10  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 14  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 36  1  0  0  0  0
 11 37  1  0  0  0  0
 12 15  1  0  0  0  0
 12 38  1  0  0  0  0
 12 39  1  0  0  0  0
 13 18  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 44  1  0  0  0  0
 15 45  1  0  0  0  0
 16 17  2  0  0  0  0
 16 46  1  0  0  0  0
 17 47  1  0  0  0  0
 18 21  1  0  0  0  0
 18 48  1  0  0  0  0
 18 49  1  0  0  0  0
 19 20  1  0  0  0  0
 19 23  1  0  0  0  0
 19 51  1  0  0  0  0
 19 52  1  0  0  0  0
 20 53  1  0  0  0  0
 20 54  1  0  0  0  0
 23 24  1  0  0  0  0
 23 55  1  0  0  0  0
 23 56  1  0  0  0  0
 24 58  1  0  0  0  0
 24 59  1  0  0  0  0
 24 60  1  0  0  0  0
 25 61  1  0  0  0  0
 25 62  1  0  0  0  0
 25 63  1  0  0  0  0
M  END

$$$$
D03IVW
  -OEChem-04152109112D

 55 57  0     0  0  0  0  0  0999 V2000
   10.6603   -0.5000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   14.1244   -5.5000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -1.0000    0.0000 O   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
   10.6603   -2.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282   -2.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    2.0000    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
    7.1962    0.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -2.5000    0.0000 N   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
    2.8660    5.0000    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
    4.5981    5.0000    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
    3.7320    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603   -3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5263   -4.0000    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
    9.7942   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3923   -3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5263   -5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2583   -4.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3923   -5.5000    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
    9.7942   -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
   13.2583   -5.0000    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
    6.3301    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0747    3.3923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6762    4.0826    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
    5.1350    5.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    6.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1120    2.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.8800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3520    2.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0497   -3.3923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4482   -4.0826    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
    1.4631    5.8100    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
    4.9272    2.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1972   -2.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.3923   -2.8800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9893   -5.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.7953   -3.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.3923   -6.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7932    0.6900    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
    6.6592   -2.1900    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  2  0  0  0  0
  4  7  1  0  0  0  0
  4 13  1  0  0  0  0
  4 46  1  0  0  0  0
  5 19  1  0  0  0  0
  5 22  1  0  0  0  0
  5 47  1  0  0  0  0
  6 22  2  0  0  0  0
  6 29  1  0  0  0  0
  7 32  2  3  0  0  0
  8 27  1  0  0  0  0
  8 28  2  0  0  0  0
  9 31  1  0  0  0  0
  9 32  1  0  0  0  0
  9 53  1  0  0  0  0
 10 29  1  0  0  0  0
 10 54  1  0  0  0  0
 10 55  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 11 16  1  0  0  0  0
 12 15  1  0  0  0  0
 12 18  1  0  0  0  0
 13 33  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
 14 21  1  0  0  0  0
 15 35  1  0  0  0  0
 16 17  2  0  0  0  0
 16 36  1  0  0  0  0
 17 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 20  1  0  0  0  0
 19 41  1  0  0  0  0
 19 42  1  0  0  0  0
 20 23  2  0  0  0  0
 20 24  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 28  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 30  2  0  0  0  0
 25 50  1  0  0  0  0
 26 30  1  0  0  0  0
 26 51  1  0  0  0  0
 27 29  2  0  0  0  0
 27 31  1  0  0  0  0
 32 52  1  0  0  0  0
M  END

$$$$
D03IWC
  -OEChem-10101305032D

 31 33  0     0  0  0  0  0  0999 V2000
    5.5443   -1.8638    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1279   -1.0591    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5443   -0.2544    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.5591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8550    0.6961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.5591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8335    0.9024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1279   -1.0591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.0591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.0591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.5591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.5591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1441    1.8529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5013    0.1581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.0591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1226    2.0591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4798    0.3643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7905    1.3148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8344    1.3158    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2411    0.7835    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.5609    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.6791    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -0.2491    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7301    2.3144    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3087   -0.4313    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -1.5222    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -2.3691    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   -2.5960    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3152    2.6484    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8939   -0.0972    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3972    1.4427    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  8  1  0  0  0  0
  2  8  2  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3  8  1  0  0  0  0
  4  6  2  0  0  0  0
  4  9  1  0  0  0  0
  5  7  1  0  0  0  0
  5 19  1  0  0  0  0
  5 20  1  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
  9 12  2  0  0  0  0
  9 21  1  0  0  0  0
 10 11  2  0  0  0  0
 10 22  1  0  0  0  0
 11 12  1  0  0  0  0
 11 15  1  0  0  0  0
 12 23  1  0  0  0  0
 13 16  1  0  0  0  0
 13 24  1  0  0  0  0
 14 17  2  0  0  0  0
 14 25  1  0  0  0  0
 15 26  1  0  0  0  0
 15 27  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 18  1  0  0  0  0
 17 30  1  0  0  0  0
 18 31  1  0  0  0  0
M  END

$$$$
D03IWT
          08280900592D 1   1.00000     0.00000     0

 17 19  0     0  0            999 V2000
    2.7456   -1.0937    0.0000 C   0  0  3  0  0  0           0  0  0
    2.1034   -0.5710    0.0000 N   0  0  3  0  0  0           0  0  0
    2.3968    0.1985    0.0000 C   0  0  0  0  0  0           0  0  0
    3.2240    0.1543    0.0000 C   0  0  0  0  0  0           0  0  0
    3.4405   -0.6438    0.0000 N   0  0  3  0  0  0           0  0  0
    2.9579   -1.8918    0.0000 C   0  0  0  0  0  0           0  0  0
    3.7851   -1.9360    0.0000 C   0  0  0  0  0  0           0  0  0
    4.0827   -1.1665    0.0000 C   0  0  0  0  0  0           0  0  0
    1.9468    0.8935    0.0000 O   0  0  0  0  0  0           0  0  0
    4.8808   -0.9500    0.0000 O   0  0  0  0  0  0           0  0  0
    1.3011   -0.7875    0.0000 C   0  0  0  0  0  0           0  0  0
    1.0887   -1.5856    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.2952   -1.2164    0.0000 C   0  0  0  0  0  0           0  0  0
    0.7194   -0.2018    0.0000 C   0  0  0  0  0  0           0  0  0
    0.2906   -1.8022    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.0829   -0.4141    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.0933   -1.4288    0.0000 C   0  0  0  0  0  0           0  0  0
  2  1  1  0     0  0
  3  2  1  0     0  0
  4  3  1  0     0  0
  5  4  1  0     0  0
  5  1  1  0     0  0
  7  6  1  0     0  0
  8  7  1  0     0  0
  8  5  1  0     0  0
  6  1  1  0     0  0
  3  9  2  0     0  0
  8 10  2  0     0  0
 12 11  1  0     0  0
 14 11  2  0     0  0
 15 12  2  0     0  0
 15 13  1  0     0  0
 16 13  2  0     0  0
 16 14  1  0     0  0
 13 17  1  0     0  0
  2 11  1  0     0  0
M  END

$$$$
D03IWW
  -OEChem-10101305032D

 20 20  0     1  0  0  0  0  0999 V2000
    2.8660    1.6550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.1550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.3450    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.1550    0.0000 C   0  0  1  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
    5.4641    0.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.7750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9966    1.1300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1996    1.1300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0747    0.0473    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6762    0.7376    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1215   -0.7373    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5200   -1.4276    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6762   -1.4276    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0747   -0.7373    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.9650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291    1.9650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  1 20  1  0  0  0  0
  2  9  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  3 19  1  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  4  9  1  1  0  0  0
  4 10  1  0  0  0  0
  5  6  1  0  0  0  0
  5 11  1  0  0  0  0
  5 12  1  0  0  0  0
  6  8  1  0  0  0  0
  6 13  1  0  0  0  0
  6 14  1  0  0  0  0
  7 15  1  0  0  0  0
  7 16  1  0  0  0  0
  8 17  1  0  0  0  0
  8 18  1  0  0  0  0
M  END

$$$$
D03IWX
  -OEChem-10101305022D

 35 37  0     1  0  0  0  0  0999 V2000
    8.1962   -0.0185    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000    1.4573    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    3.8000   -0.5427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.6660   -2.0427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000   -1.5427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660    0.9573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.8000    2.0773    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2631    1.1473    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1 14  1  0  0  0  0
  1 18  1  0  0  0  0
  2  9  1  0  0  0  0
  2 31  1  0  0  0  0
  2 32  1  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
  3 19  1  0  0  0  0
  4  6  2  0  0  0  0
  4 10  1  0  0  0  0
  5  8  1  0  0  0  0
  5 11  2  0  0  0  0
  6  7  1  0  0  0  0
  6 12  1  0  0  0  0
  7  8  1  0  0  0  0
  7 20  1  0  0  0  0
  7 21  1  0  0  0  0
  8 13  2  0  0  0  0
  9 22  1  0  0  0  0
  9 23  1  0  0  0  0
 10 14  2  0  0  0  0
 10 24  1  0  0  0  0
 11 16  1  0  0  0  0
 11 25  1  0  0  0  0
 12 15  2  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 15  1  0  0  0  0
 15 28  1  0  0  0  0
 16 17  2  0  0  0  0
 16 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

$$$$
D03IZV
  -OEChem-10191522062D

 36 39  0     0  0  0  0  0  0999 V2000
    3.7320   -4.1508    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.1508    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    6.4298    4.1508    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.7157   -1.3418    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.2086    0.1425    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.6508    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5443   -2.9556    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8550   -0.3956    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5443   -1.3461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1279   -2.1508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.6508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.1508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1279   -2.1508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.1508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.6508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.6508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1871    0.3487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7157   -2.9598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4978    1.2993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6668   -2.6508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6668   -1.6508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4763    1.5055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8299    2.0436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1 14  1  0  0  0  0
  2 15  1  0  0  0  0
  3 26  1  0  0  0  0
  4 13  1  0  0  0  0
  4 21  1  0  0  0  0
  5 17  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 10  1  0  0  0  0
  7 11  2  0  0  0  0
  8  9  1  0  0  0  0
  8 17  1  0  0  0  0
  8 28  1  0  0  0  0
  9 10  2  0  0  0  0
 10 13  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 18  2  0  0  0  0
 14 16  2  0  0  0  0
 15 16  1  0  0  0  0
 16 29  1  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
 18 30  1  0  0  0  0
 19 22  2  0  0  0  0
 19 23  1  0  0  0  0
 20 21  2  0  0  0  0
 20 31  1  0  0  0  0
 21 32  1  0  0  0  0
 22 24  1  0  0  0  0
 22 33  1  0  0  0  0
 23 25  2  0  0  0  0
 23 34  1  0  0  0  0
 24 26  2  0  0  0  0
 24 35  1  0  0  0  0
 25 26  1  0  0  0  0
 25 36  1  0  0  0  0
M  END

$$$$
D03JAE
  -OEChem-10101305022D

 23 22  0     0  0  0  0  0  0999 V2000
    4.4030    0.0000    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.0600    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    5.2690    4.5000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.1350    6.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4030    6.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4030    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4030    4.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5369    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2690    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5369    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2690    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4030    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2690    5.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7924    3.8923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    2.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8059    2.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    1.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8059    1.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1350    6.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6720    5.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4030    6.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0000    3.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  1  0  0  0  0
  2 23  1  0  0  0  0
  3  7  1  0  0  0  0
  3 13  1  0  0  0  0
  4 13  1  0  0  0  0
  4 20  1  0  0  0  0
  4 21  1  0  0  0  0
  5 13  2  0  0  0  0
  5 22  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  2  0  0  0  0
  6  9  1  0  0  0  0
  7 14  1  0  0  0  0
  7 15  1  0  0  0  0
  8 10  1  0  0  0  0
  8 16  1  0  0  0  0
  9 11  2  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 12  1  0  0  0  0
 11 19  1  0  0  0  0
M  END

$$$$
D03JAL
  -OEChem-10101305022D

 27 26  0     1  0  0  0  0  0999 V2000
    3.4030   -1.8170    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -2.3170    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9030   -0.9510    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9030   -2.6830    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -1.8170    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -0.3170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    0.1830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -1.3170    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.1350    1.1830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    1.6830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    2.6830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0569    0.2656    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.9230    1.7656    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  8  1  0  0  0  0
  2 26  1  0  0  0  0
  3 27  1  0  0  0  0
  5  8  1  0  0  0  0
  5 21  1  0  0  0  0
  5 22  1  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 13  1  0  0  0  0
  7  9  1  0  0  0  0
  7 15  1  0  0  0  0
  7 16  1  0  0  0  0
  8 14  1  0  0  0  0
  9 10  1  0  0  0  0
  9 17  1  0  0  0  0
  9 18  1  0  0  0  0
 10 11  1  0  0  0  0
 10 19  1  0  0  0  0
 10 20  1  0  0  0  0
 11 23  1  0  0  0  0
 11 24  1  0  0  0  0
 11 25  1  0  0  0  0
M  END

$$$$
D03JDL
  -OEChem-04152110062D

 42 44  0     0  0  0  0  0  0999 V2000
    6.3981   -2.4849    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    8.1301   -3.4849    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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    2.0000    2.0426    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.8718    3.5393    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7895   -1.0294    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8680    2.5393    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    5.5320    1.0151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.6381    0.4805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7320    0.9943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.0360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1 25  1  0  0  0  0
  2 27  1  0  0  0  0
  3 18  2  0  0  0  0
  4 20  2  0  0  0  0
  5 11  1  0  0  0  0
  6 11  2  0  0  0  0
  7 18  1  0  0  0  0
  7 19  1  0  0  0  0
  7 32  1  0  0  0  0
  8 12  1  0  0  0  0
  8 19  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 20  1  0  0  0  0
 10 22  1  0  0  0  0
 10 34  1  0  0  0  0
 11 17  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 13 15  1  0  0  0  0
 13 18  1  0  0  0  0
 14 16  2  0  0  0  0
 14 20  1  0  0  0  0
 15 17  2  0  0  0  0
 15 30  1  0  0  0  0
 16 17  1  0  0  0  0
 16 31  1  0  0  0  0
 21 23  2  0  0  0  0
 21 24  1  0  0  0  0
 22 28  1  0  0  0  0
 22 35  1  0  0  0  0
 22 36  1  0  0  0  0
 23 25  1  0  0  0  0
 23 37  1  0  0  0  0
 24 26  2  0  0  0  0
 24 38  1  0  0  0  0
 25 27  2  0  0  0  0
 26 27  1  0  0  0  0
 26 39  1  0  0  0  0
 28 29  2  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
M  CHG  2   5  -1  11   1
M  END

$$$$
D03JDY
  -OEChem-10101305022D

213219  0     1  0  0  0  0  0999 V2000
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111213  1  0  0  0  0
M  END

$$$$
D03JEU
  -OEChem-04152108482D

 23 23  0     1  0  0  0  0  0999 V2000
    4.5981    1.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1 11  1  0  0  0  0
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 10  4  1  6  0  0  0
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 10 12  1  0  0  0  0
 10 16  1  0  0  0  0
 11 13  1  1  0  0  0
 11 17  1  0  0  0  0
 12 18  1  0  0  0  0
M  END

$$$$
D03JEW
  -OEChem-10101305022D

 52 55  0     0  0  0  0  0  0999 V2000
   10.6603   -1.2673    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.7287   -2.2423    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942    0.8527    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
    6.0010    0.0427    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.3923   -0.8873    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
    4.5981    0.8527    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9893    1.5427    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.3923    2.3527    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.1451   -0.9220    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.1451    2.3873    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.5941   -0.1002    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.5941    1.5656    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 14  2  0  0  0  0
  2  6  1  0  0  0  0
  3  6  2  0  0  0  0
  4 10  1  0  0  0  0
  4 11  1  0  0  0  0
  4 12  1  0  0  0  0
  5  7  1  0  0  0  0
  5 14  1  0  0  0  0
  5 41  1  0  0  0  0
  6 22  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 30  1  0  0  0  0
  8 10  1  0  0  0  0
  8 31  1  0  0  0  0
  8 32  1  0  0  0  0
  9 11  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
 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 16  2  0  0  0  0
 13 17  1  0  0  0  0
 14 15  1  0  0  0  0
 15 18  2  0  0  0  0
 15 21  1  0  0  0  0
 16 19  1  0  0  0  0
 16 42  1  0  0  0  0
 17 20  2  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 22  2  0  0  0  0
 19 45  1  0  0  0  0
 20 22  1  0  0  0  0
 20 46  1  0  0  0  0
 21 25  2  0  0  0  0
 21 47  1  0  0  0  0
 23 24  1  0  0  0  0
 23 26  2  0  0  0  0
 24 25  1  0  0  0  0
 24 27  2  0  0  0  0
 25 48  1  0  0  0  0
 26 28  1  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
 28 29  2  0  0  0  0
 28 51  1  0  0  0  0
 29 52  1  0  0  0  0
M  CHG  2   2  -1   6   1
M  END

$$$$
D03JFB
  -OEChem-10191521542D

 60 63  0     1  0  0  0  0  0999 V2000
    6.4957    5.3535    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.3246   -3.5330    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6318   -0.3496    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783   -4.6044    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2781   -0.8877    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.6138   -2.3763    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9209    0.8071    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2531    1.5514    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9889   -2.0444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9674   -1.8382    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.6783   -2.9950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.2997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8660   -4.7997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0000   -3.2997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -4.2997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6103   -0.1434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9280   -3.6587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6173   -4.6092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9065   -3.4525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2852   -5.3535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5743   -4.1968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2637   -5.1473    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5637    2.5020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8959    3.2462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5422    2.7082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2066    4.1968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8529    3.6587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1851    4.4030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9684   -1.4248    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3751   -1.9571    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5534   -1.3768    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8819   -3.7997    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8709   -5.1937    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8848   -0.7598    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.1797    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8064   -1.7870    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7553   -3.4482    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5129   -3.6959    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -5.4197    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    9.0289   -2.3391    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -2.9897    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    9.0106   -4.7371    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0991   -2.8631    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0926   -5.9428    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.1810   -4.0689    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6464    1.4236    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.6777   -5.6088    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2892    3.1184    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.7925    4.6582    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4596    3.7865    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 34  1  0  0  0  0
  2 15  2  0  0  0  0
  3 22  2  0  0  0  0
  4 13  1  0  0  0  0
  4 14  1  0  0  0  0
  4 39  1  0  0  0  0
 10  5  1  1  0  0  0
  5 22  1  0  0  0  0
  5 40  1  0  0  0  0
  6 15  1  0  0  0  0
  6 17  1  0  0  0  0
  6 42  1  0  0  0  0
  7  8  1  0  0  0  0
  7 22  1  0  0  0  0
  7 50  1  0  0  0  0
  8 29  1  0  0  0  0
  8 55  1  0  0  0  0
  9 10  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 15  1  0  0  0  0
 10 37  1  0  0  0  0
 11 12  1  0  0  0  0
 11 14  2  0  0  0  0
 12 13  1  0  0  0  0
 12 16  2  0  0  0  0
 13 18  2  0  0  0  0
 14 38  1  0  0  0  0
 16 20  1  0  0  0  0
 16 41  1  0  0  0  0
 17 19  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 23  1  0  0  0  0
 19 46  1  0  0  0  0
 19 47  1  0  0  0  0
 20 21  2  0  0  0  0
 20 48  1  0  0  0  0
 21 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 51  1  0  0  0  0
 25 27  2  0  0  0  0
 25 52  1  0  0  0  0
 26 28  2  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
 28 56  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 57  1  0  0  0  0
 31 33  2  0  0  0  0
 31 58  1  0  0  0  0
 32 34  2  0  0  0  0
 32 59  1  0  0  0  0
 33 34  1  0  0  0  0
 33 60  1  0  0  0  0
M  END

$$$$
D03JFC
  -OEChem-10101305022D

 38 40  0     0  0  0  0  0  0999 V2000
    4.6783    2.0368    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2619   -0.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7619    0.3660    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783    0.4273    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.7619   -1.3660    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2619    1.2320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2619    1.2320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.7320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.7321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7619   -1.3660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2619   -2.2320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7619    0.3660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7619    0.3660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7619    2.0981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    2.2320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.2619    1.2320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7619    2.0981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2619   -2.2320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.7320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.7321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2619   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3445   -1.1540    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6542   -0.7554    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6793   -2.4441    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3695   -2.8426    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   12.2619   -2.8521    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.8819   -2.2320    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.2619   -1.6120    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    1.4631    0.4221    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 13  1  0  0  0  0
  2 22  1  0  0  0  0
  3 22  2  0  0  0  0
  4  7  2  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 22  1  0  0  0  0
  5 31  1  0  0  0  0
  6  7  1  0  0  0  0
  6 12  2  0  0  0  0
  6 14  1  0  0  0  0
  8  9  1  0  0  0  0
  8 15  2  0  0  0  0
  9 16  2  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 19  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
 13 17  2  0  0  0  0
 14 18  2  0  0  0  0
 14 28  1  0  0  0  0
 15 20  1  0  0  0  0
 15 29  1  0  0  0  0
 16 21  1  0  0  0  0
 16 30  1  0  0  0  0
 17 18  1  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
 19 35  1  0  0  0  0
 19 36  1  0  0  0  0
 20 21  2  0  0  0  0
 20 37  1  0  0  0  0
 21 38  1  0  0  0  0
M  END

$$$$
D03JFL
  -OEChem-10101305022D

 40 40  0     1  0  0  0  0  0999 V2000
   11.1972    0.6900    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    2.1900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    2.1900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -1.3100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    0.1900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    0.6900    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.8671    0.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    0.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    0.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991    0.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -0.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651    0.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    1.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -1.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3312    0.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -1.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -2.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -2.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -2.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -0.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5380    1.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4685   -0.2849    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2656   -0.2849    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  7 22  1  0  0  0  0
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  8 10  1  0  0  0  0
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  8 25  1  0  0  0  0
  9 11  1  0  0  0  0
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  9 27  1  0  0  0  0
 10 12  1  0  0  0  0
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 11 14  1  0  0  0  0
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 14 17  2  0  0  0  0
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 15 32  1  0  0  0  0
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 17 35  1  0  0  0  0
 18 19  2  0  0  0  0
 18 36  1  0  0  0  0
 19 37  1  0  0  0  0
M  END

$$$$
D03JFU
  -OEChem-10101305032D

 17 16  0     1  0  0  0  0  0999 V2000
    5.1350   -0.5670    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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  1  6  1  0  0  0  0
  1 15  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3 16  1  0  0  0  0
  4 17  1  0  0  0  0
  6  7  1  0  0  0  0
  6  9  1  0  0  0  0
  7  8  1  0  0  0  0
  7 10  1  0  0  0  0
  7 11  1  0  0  0  0
  8 12  1  0  0  0  0
  8 13  1  0  0  0  0
  8 14  1  0  0  0  0
M  END

$$$$
D03JFX
  -OEChem-10101305032D

 21 22  0     0  0  0  0  0  0999 V2000
    4.6783   -0.9790    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  1  6  1  0  0  0  0
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 10 16  1  0  0  0  0
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 12 19  1  0  0  0  0
M  END

$$$$
D03JLK
  -OEChem-10101305022D

 95 98  0     1  0  0  0  0  0999 V2000
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 48 92  1  0  0  0  0
 48 93  1  0  0  0  0
 50 94  1  0  0  0  0
M  END

$$$$
D03JMD
  -OEChem-10101305032D

 24 23  0     0  0  0  0  0  0999 V2000
    5.6720    3.5600    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
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  1 24  1  0  0  0  0
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  2 13  1  0  0  0  0
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 10 12  2  0  0  0  0
 10 19  1  0  0  0  0
 11 12  1  0  0  0  0
 11 20  1  0  0  0  0
 12 14  1  0  0  0  0
M  END

$$$$
D03JMF
          02111102022D 1   1.00000     0.00000     0

 35 39  0     0  0            999 V2000
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 17 20  1  0     0  0
 18 22  1  0     0  0
 21 19  1  0     0  0
 19 20  1  0     0  0
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 13 24  1  0     0  0
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 14  2  2  0     0  0
 12 26  2  0     0  0
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 27  9  2  0     0  0
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 33 34  1  0     0  0
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 34 35  2  0     0  0
 35 30  1  0     0  0
M  END

$$$$
D03JNC
  -OEChem-04152108592D

 94 96  0     1  0  0  0  0  0999 V2000
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 18 20  1  0  0  0  0
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 20 25  2  0  0  0  0
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 35 80  1  0  0  0  0
 36 81  1  0  0  0  0
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 36 83  1  0  0  0  0
 37 42  1  0  0  0  0
 37 43  1  0  0  0  0
 38 40  1  0  0  0  0
 38 84  1  0  0  0  0
 39 41  2  0  0  0  0
 39 85  1  0  0  0  0
 40 44  2  0  0  0  0
 41 44  1  0  0  0  0
 41 86  1  0  0  0  0
 42 87  1  0  0  0  0
 42 88  1  0  0  0  0
 42 89  1  0  0  0  0
 43 90  1  0  0  0  0
 43 91  1  0  0  0  0
 43 92  1  0  0  0  0
M  END

$$$$
D03JOS
  -OEChem-10101305022D

 43 46  0     0  0  0  0  0  0999 V2000
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    4.6783   -0.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9030    1.4087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.6714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.2136    2.3592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8660   -0.1714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0000   -0.6714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1921    2.5655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.8600    1.8212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2575    2.3602    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9634    0.4092    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -1.9814    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4666    1.9490    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
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  1  8  1  0  0  0  0
  2  6  1  0  0  0  0
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  2 10  1  0  0  0  0
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  3 13  1  0  0  0  0
  3 34  1  0  0  0  0
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  4 25  1  0  0  0  0
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  6 30  1  0  0  0  0
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  8  9  1  0  0  0  0
  8 31  1  0  0  0  0
  8 32  1  0  0  0  0
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 10 14  2  0  0  0  0
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 11 13  1  0  0  0  0
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 13 17  2  0  0  0  0
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 14 35  1  0  0  0  0
 15 20  2  0  0  0  0
 15 36  1  0  0  0  0
 16 18  1  0  0  0  0
 16 37  1  0  0  0  0
 17 21  1  0  0  0  0
 17 38  1  0  0  0  0
 18 21  2  0  0  0  0
 18 39  1  0  0  0  0
 19 22  2  0  0  0  0
 19 40  1  0  0  0  0
 20 22  1  0  0  0  0
 20 41  1  0  0  0  0
 21 42  1  0  0  0  0
 22 43  1  0  0  0  0
M  END

$$$$
D03JOX
  -OEChem-10101305022D

 41 42  0     1  0  0  0  0  0999 V2000
    2.8660    0.4806    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.5981    0.4806    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.4071    2.0684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7891    2.0684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0981    3.0194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0981    3.0194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.0194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.0194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.4806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.0194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -0.0194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.5194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0000   -1.0194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  9  2  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
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  3  9  1  0  0  0  0
  3 19  1  0  0  0  0
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  6 24  1  0  0  0  0
  6 25  1  0  0  0  0
  7 26  1  0  0  0  0
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  8 10  1  0  0  0  0
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 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
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 13 15  2  0  0  0  0
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 14 17  1  0  0  0  0
 14 35  1  0  0  0  0
 15 18  1  0  0  0  0
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 16 37  1  0  0  0  0
 16 38  1  0  0  0  0
 16 39  1  0  0  0  0
 17 18  2  0  0  0  0
 17 40  1  0  0  0  0
 18 41  1  0  0  0  0
M  END

$$$$
D03JPL
  -OEChem-10191521282D

 39 38  0     0  0  0  0  0  0999 V2000
   13.7953    0.2500    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
    3.4030   -0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   10.3312    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.1972    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
   12.0632    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
   12.9292    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
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    6.4685   -0.2249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    9.9326   -0.2249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7297   -0.2249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    5.6025    1.2250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5957    1.2250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7987    1.2250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   11.6647   -0.2249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.4617   -0.2249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6675    1.2250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8705    1.2250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.3278    1.2250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.5307    1.2250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.3322    0.5600    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 14  1  0  0  0  0
  1 38  1  0  0  0  0
  2 15  1  0  0  0  0
  2 39  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 16  1  0  0  0  0
  4 17  1  0  0  0  0
  5  7  1  0  0  0  0
  5 18  1  0  0  0  0
  5 19  1  0  0  0  0
  6  8  1  0  0  0  0
  6 20  1  0  0  0  0
  6 21  1  0  0  0  0
  7  9  1  0  0  0  0
  7 22  1  0  0  0  0
  7 23  1  0  0  0  0
  8 10  1  0  0  0  0
  8 24  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 14  1  0  0  0  0
 12 32  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 36  1  0  0  0  0
 14 37  1  0  0  0  0
M  END

$$$$
D03JPN
  -OEChem-10191521352D

 41 44  0     1  0  0  0  0  0999 V2000
   11.0687    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0000    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.5000   -0.8660    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5000   -0.8660    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.5388   -0.5000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    9.5388    0.5000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   10.4851    0.8047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4851   -0.8047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5878    0.8090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5878   -0.8090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0687    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5000    0.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5000    0.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000    0.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000   -0.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5000    0.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5396   -1.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5396    1.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0224    1.1140    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2340    1.3716    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2340   -1.3716    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0224   -1.1140    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8400    1.3754    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0508    1.1190    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0508   -1.1190    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8400   -1.3754    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.0687   -0.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.6887    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.0687    0.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8100    1.4030    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1900    1.4030    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8100    1.4030    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8100   -1.4030    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.1900   -1.4030    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3800    0.0000    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
  1 11  1  0  0  0  0
  2  9  1  0  0  0  0
  2 10  1  0  0  0  0
  2 12  1  0  0  0  0
  3  4  1  0  0  0  0
  3 12  2  0  0  0  0
  4 15  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
  5 22  1  0  0  0  0
  6  7  1  0  0  0  0
  6  9  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 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 32  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
 13 14  2  0  0  0  0
 13 35  1  0  0  0  0
 14 15  1  0  0  0  0
 14 36  1  0  0  0  0
 15 16  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 37  1  0  0  0  0
 18 20  2  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 21  1  0  0  0  0
 20 40  1  0  0  0  0
 21 41  1  0  0  0  0
M  END

$$$$
D03JQD
  -OEChem-10191521422D

 45 47  0     1  0  0  0  0  0999 V2000
    6.3301   -3.2500    0.0000 S   0  0  3  0  0  0  0  0  0  0  0  0
    2.0000   -3.7500    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.3660   -4.1160    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.3660   -2.3840    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    1.7500    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
    5.4641   -1.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -3.2500    0.0000 N   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
    4.5981   -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
    5.4641    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
    3.7320    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.7500    0.0000 C   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
    6.3301    2.7500    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
    3.7320    1.2500    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
    6.3301   -4.2500    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
    8.0622    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
    7.1962   -4.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    3.2500    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
    8.9282    4.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -0.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951   -1.4400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951   -0.0600    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
    5.7196    2.6423    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951    1.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7196   -4.1423    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    6.6592    4.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8862   -5.2869    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    9.4651    2.9400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    5.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651    4.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  2  0  0  0  0
  1 16  1  0  0  0  0
  1 21  1  0  0  0  0
  2 22  1  0  0  0  0
  3 22  1  0  0  0  0
  4 22  1  0  0  0  0
  5 12  1  0  0  0  0
  5 17  1  0  0  0  0
  7 10  1  0  0  0  0
  7 16  2  0  0  0  0
  8 15  2  0  0  0  0
  8 16  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 13  2  0  0  0  0
 11 12  1  0  0  0  0
 11 29  1  0  0  0  0
 12 18  2  0  0  0  0
 13 15  1  0  0  0  0
 13 30  1  0  0  0  0
 14 19  2  0  0  0  0
 14 31  1  0  0  0  0
 15 22  1  0  0  0  0
 17 20  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 34  1  0  0  0  0
 19 35  1  0  0  0  0
 20 23  2  0  0  0  0
 20 24  1  0  0  0  0
 21 25  1  0  0  0  0
 21 36  1  0  0  0  0
 21 37  1  0  0  0  0
 23 26  1  0  0  0  0
 23 38  1  0  0  0  0
 24 27  2  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
 26 28  2  0  0  0  0
 26 43  1  0  0  0  0
 27 28  1  0  0  0  0
 27 44  1  0  0  0  0
 28 45  1  0  0  0  0
M  END

$$$$
D03JRA
  -OEChem-04152110552D

 10 10  0     0  0  0  0  0  0999 V2000
    3.7071    1.0728    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -0.6344    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.6344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.0000    0.3656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3800   -0.6344    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0000    0.9856    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3800    0.3656    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4384   -1.0728    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  2  0  0  0  0
  2  3  1  0  0  0  0
  2  5  1  0  0  0  0
  2 10  1  0  0  0  0
  3  4  1  0  0  0  0
  3  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  5  1  0  0  0  0
  4  8  1  0  0  0  0
  4  9  1  0  0  0  0
M  END

$$$$
D03JRX
  -OEChem-04152110362D

 69 71  0     0  0  0  0  0  0999 V2000
   10.7263   -3.9585    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -2.9827    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -5.9827    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    5.4362   -3.9480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.5301   -5.5035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4362   -6.0173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -5.4827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -3.9827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.0173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.9827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7320    2.0173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0000    6.0173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5942   -4.4552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8408   -3.4782    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   10.3979   -5.8156    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   11.9022   -3.9170    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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 16 20  2  0  0  0  0
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 17 48  1  0  0  0  0
 17 49  1  0  0  0  0
 18 19  1  0  0  0  0
 18 50  1  0  0  0  0
 18 51  1  0  0  0  0
 19 21  1  0  0  0  0
 19 53  1  0  0  0  0
 19 54  1  0  0  0  0
 20 24  1  0  0  0  0
 21 22  1  0  0  0  0
 21 55  1  0  0  0  0
 21 56  1  0  0  0  0
 22 25  1  0  0  0  0
 22 57  1  0  0  0  0
 22 58  1  0  0  0  0
 23 26  2  0  0  0  0
 23 59  1  0  0  0  0
 24 27  2  0  0  0  0
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 25 28  1  0  0  0  0
 25 61  1  0  0  0  0
 25 62  1  0  0  0  0
 26 27  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
 28 66  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
M  END

$$$$
D03JTS
  -OEChem-10101305022D

 24 26  0     0  0  0  0  0  0999 V2000
    2.0069    2.1054    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4710    2.1054    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7389    2.1054    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8138   -2.3984    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7389    0.1054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7229   -0.9361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8729    0.6054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6050    0.6054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8457   -1.3989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0134    0.1106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6209   -1.4639    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8729    1.6054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6050    1.6054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5150    0.0985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.8810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.2672   -2.6910    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3405   -2.7254    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  2  0  0  0  0
  2 13  2  0  0  0  0
  3 12  1  0  0  0  0
  3 13  1  0  0  0  0
  3 21  1  0  0  0  0
  4  9  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  2  0  0  0  0
  5  8  1  0  0  0  0
  6  9  2  0  0  0  0
  6 11  1  0  0  0  0
  7 10  1  0  0  0  0
  7 12  1  0  0  0  0
  8 13  1  0  0  0  0
  8 14  2  0  0  0  0
  9 15  1  0  0  0  0
 10 15  2  0  0  0  0
 10 17  1  0  0  0  0
 11 16  2  0  0  0  0
 11 18  1  0  0  0  0
 14 16  1  0  0  0  0
 14 19  1  0  0  0  0
 15 20  1  0  0  0  0
 16 22  1  0  0  0  0
M  END

$$$$
D03JWH
  -OEChem-04152109132D

 30 31  0     1  0  0  0  0  0999 V2000
    5.5116    0.2853    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.0875    2.8080    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7026    1.6865    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.1920    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1808    1.0284    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.1753    0.9239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6808    1.8944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.6920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7631    1.7329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.8080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.3080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7320   -3.4280    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1  8  1  0  0  0  0
  2  7  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  3 20  1  0  0  0  0
  4  8  2  0  0  0  0
  4 10  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 17  1  0  0  0  0
  6  9  1  0  0  0  0
  6 18  1  0  0  0  0
  6 19  1  0  0  0  0
  9 21  1  0  0  0  0
  9 22  1  0  0  0  0
  9 23  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  2  0  0  0  0
 11 13  2  0  0  0  0
 11 14  1  0  0  0  0
 12 15  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 26  1  0  0  0  0
 14 27  1  0  0  0  0
 14 28  1  0  0  0  0
 15 16  2  0  0  0  0
 15 29  1  0  0  0  0
 16 30  1  0  0  0  0
M  END

$$$$
D03JXX
  -OEChem-10101305022D

 20 20  0     1  0  0  0  0  0999 V2000
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    5.5202   -0.7313    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    4.2601    0.5288    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5691   -0.4223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  4  1  0  0  0  0
  1  6  2  0  0  0  0
  2  6  1  0  0  0  0
  2 19  1  0  0  0  0
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  3  4  1  0  0  0  0
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  3  7  1  0  0  0  0
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  4 10  1  0  0  0  0
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  5 11  1  0  0  0  0
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  8 16  1  0  0  0  0
  8 17  1  0  0  0  0
  8 18  1  0  0  0  0
M  END

$$$$
D03JYD
  -OEChem-04152110562D

 48 49  0     0  0  0  0  0  0999 V2000
    2.8660    0.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    3.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 11 30  1  0  0  0  0
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 12 32  1  0  0  0  0
 12 33  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 19  1  0  0  0  0
 15 20  1  0  0  0  0
 15 34  1  0  0  0  0
 18 35  1  0  0  0  0
 18 36  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
 21 22  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
M  END

$$$$
D03JYN
  -OEChem-10101305022D

 34 35  0     0  0  0  0  0  0999 V2000
    2.0000    1.8450    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.8450    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.8450    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    3.3450    0.0000 N   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
    4.5981    0.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.8450    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   -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
    3.7320   -2.1550    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    1.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.3450    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    2.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    0.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    1.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    2.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951   -0.8450    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.9272    2.1550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.2750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9781   -3.6550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -4.2750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2181   -3.6550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    2.9650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    0.5350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    2.1550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    2.1550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291    3.6550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    3.6550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 19  2  0  0  0  0
  2  3  1  0  0  0  0
  2  6  2  0  0  0  0
  3 19  1  0  0  0  0
  3 32  1  0  0  0  0
  4 19  1  0  0  0  0
  4 33  1  0  0  0  0
  4 34  1  0  0  0  0
  5  6  1  0  0  0  0
  5  9  2  0  0  0  0
  5 10  1  0  0  0  0
  6  7  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 15  1  0  0  0  0
  9 11  1  0  0  0  0
  9 20  1  0  0  0  0
 10 12  2  0  0  0  0
 10 21  1  0  0  0  0
 11 22  1  0  0  0  0
 12 23  1  0  0  0  0
 13 16  1  0  0  0  0
 13 24  1  0  0  0  0
 14 17  2  0  0  0  0
 14 25  1  0  0  0  0
 15 26  1  0  0  0  0
 15 27  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 18  1  0  0  0  0
 17 30  1  0  0  0  0
 18 31  1  0  0  0  0
M  END

$$$$
D03JZQ
  -OEChem-10101305032D

 39 42  0     0  0  0  0  0  0999 V2000
   10.1818   -2.0864    0.0000 S   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
    6.8671   -1.7500    0.0000 N   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
    6.0010   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331   -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
    7.7331   -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   -1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991   -1.7500    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
    6.0010    1.7500    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   -2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7036   -2.7445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5127   -1.3433    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
    4.2690   -3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    2.7500    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
    3.4030   -2.7500    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
    9.6818   -2.9524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2700    0.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2700    1.4400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.4400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -0.6300    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
    8.2429   -3.1594    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6416   -0.7368    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
    8.2700    3.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    3.0600    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
    6.8671    3.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9340   -3.5188    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 17  1  0  0  0  0
  1 24  1  0  0  0  0
  2 18  1  0  0  0  0
  2 39  1  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 10  1  0  0  0  0
  6  8  2  0  0  0  0
  6 11  1  0  0  0  0
  7 25  1  0  0  0  0
  8 26  1  0  0  0  0
  9 12  2  0  0  0  0
  9 13  1  0  0  0  0
 10 14  2  0  0  0  0
 10 15  1  0  0  0  0
 11 16  1  0  0  0  0
 11 17  2  0  0  0  0
 12 20  1  0  0  0  0
 12 27  1  0  0  0  0
 13 21  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 19  2  0  0  0  0
 15 30  1  0  0  0  0
 16 24  2  0  0  0  0
 16 31  1  0  0  0  0
 17 32  1  0  0  0  0
 18 22  2  0  0  0  0
 19 22  1  0  0  0  0
 19 33  1  0  0  0  0
 20 23  2  0  0  0  0
 20 34  1  0  0  0  0
 21 23  1  0  0  0  0
 21 35  1  0  0  0  0
 22 36  1  0  0  0  0
 23 37  1  0  0  0  0
 24 38  1  0  0  0  0
M  END

$$$$
D03KAQ
  -OEChem-10101305022D

 60 64  0     1  0  0  0  0  0999 V2000
    3.7205   -2.5032    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6947   -0.9882    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    3.7243    0.5450    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2506   -2.4791    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.1166   -1.9791    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.1166   -0.9791    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.0475   -2.1092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2345   -3.5206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0266   -2.4859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3846   -1.9791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2506   -0.4791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9639   -1.3136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1326   -4.0484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0347   -3.5275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3846   -0.9791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4906   -2.5138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9026   -0.0100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4906   -0.4444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5846   -1.9999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7205   -0.4549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8602    1.0484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7320    2.5450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.5517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7359    3.5450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8718    4.0484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.4528   -1.9340    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6392   -1.9239    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6254   -3.4051    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0165   -4.1010    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6383   -2.5873    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2312   -1.9007    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6491   -0.0041    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    6.7723   -0.7239    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3574   -1.4425    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7316   -4.5212    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5299   -4.5243    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2482   -4.1096    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6447   -3.4167    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4978   -3.1337    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7229   -3.1232    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2625    0.8530    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1 19  1  0  0  0  0
  1 52  1  0  0  0  0
  2  6  1  0  0  0  0
  2 12  1  0  0  0  0
  2 17  1  0  0  0  0
  3 21  1  0  0  0  0
  3 22  1  0  0  0  0
  3 53  1  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  4  8  1  1  0  0  0
  4 10  1  0  0  0  0
  5  6  1  0  0  0  0
  5  9  1  0  0  0  0
  5 29  1  1  0  0  0
  6 11  1  0  0  0  0
  6 30  1  1  0  0  0
  7 12  1  0  0  0  0
  7 31  1  0  0  0  0
  7 32  1  0  0  0  0
  8 13  1  0  0  0  0
  8 33  1  0  0  0  0
  8 34  1  0  0  0  0
  9 14  1  0  0  0  0
  9 35  1  0  0  0  0
  9 36  1  0  0  0  0
 10 15  1  0  0  0  0
 10 16  2  0  0  0  0
 11 15  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 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 18  2  0  0  0  0
 16 19  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
 17 48  1  0  0  0  0
 18 20  1  0  0  0  0
 18 49  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 50  1  0  0  0  0
 21 51  1  0  0  0  0
 22 23  1  0  0  0  0
 22 54  1  0  0  0  0
 22 55  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
 26 58  1  0  0  0  0
 27 28  1  0  0  0  0
 27 59  1  0  0  0  0
 28 60  1  0  0  0  0
M  END

$$$$
D03KBV
  -OEChem-04152109042D

 18 17  0     1  0  0  0  0  0999 V2000
    6.0010    0.3100    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    0.8100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.4030    1.8100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.4030    0.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.4040    0.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1910    1.7130    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.6200    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  7  2  0  0  0  0
  2  9  1  0  0  0  0
  3 10  1  0  0  0  0
  3 15  1  0  0  0  0
  4 16  1  0  0  0  0
  5 17  1  0  0  0  0
  6 11  1  0  0  0  0
  6 18  1  0  0  0  0
  8 11  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 13  1  0  0  0  0
 10 14  1  0  0  0  0
M  END

$$$$
D03KDD
  -OEChem-10101305022D

 23 23  0     1  0  0  0  0  0999 V2000
    5.3122    0.0619    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    2.8090   -0.8860    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    6.2633   -0.2471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3090    0.6528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1043    1.0400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.2982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3090    0.6528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0064    0.4220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7496    1.0911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.2103    1.5060    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  7  1  0  0  0  0
  2  4  1  0  0  0  0
  2  8  1  0  0  0  0
  2 16  1  0  0  0  0
  3  4  1  0  0  0  0
  3 12  1  0  0  0  0
  3 13  1  0  0  0  0
  4  6  2  0  0  0  0
  5 10  1  0  0  0  0
  5 14  1  0  0  0  0
  5 15  1  0  0  0  0
  6  9  1  0  0  0  0
  6 17  1  0  0  0  0
  7 18  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 21  1  0  0  0  0
  9 22  1  0  0  0  0
 10 11  3  0  0  0  0
 11 23  1  0  0  0  0
M  END

$$$$
D03KGX
  -OEChem-10101305022D

 83 87  0     1  0  0  0  0  0999 V2000
   10.9848    3.0930    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3248    0.8814    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6174    0.6329    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    8.2709    1.4833    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.5109   -0.5513    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.1770    0.9695    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    5.6449   -0.0513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.7349   -0.5582    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.1208    1.5047    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.5109    1.4487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.1207    1.5009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6174    0.6368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.3247    0.8621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.0121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3704    1.7986    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    6.9095    1.9236    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    6.7450   -2.1732    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1361   -1.4773    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   10.6583    2.2808    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    3.3942   -2.6255    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1924   -2.6224    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8686    0.0979    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7042    1.7107    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0154    2.1118    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0793    0.3288    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9253    0.0986    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1555    0.9447    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2418   -1.4962    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9825    3.7130    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   12.2374    0.6305    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8445   -3.7130    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
 23  1  1  6  0  0  0
  1 80  1  0  0  0  0
 24  2  1  1  0  0  0
  2 81  1  0  0  0  0
  3 30  1  0  0  0  0
  3 82  1  0  0  0  0
  4 33  1  0  0  0  0
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 10 13  1  0  0  0  0
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 10 37  1  1  0  0  0
 11 13  1  0  0  0  0
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 13 40  1  0  0  0  0
 13 41  1  0  0  0  0
 14 18  1  0  0  0  0
 14 24  1  0  0  0  0
 14 42  1  6  0  0  0
 15 23  1  0  0  0  0
 15 30  1  0  0  0  0
 15 31  1  1  0  0  0
 16 22  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
 17 45  1  0  0  0  0
 17 46  1  0  0  0  0
 18 20  1  0  0  0  0
 18 28  1  0  0  0  0
 18 33  1  6  0  0  0
 19 26  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 51  1  0  0  0  0
 21 52  1  0  0  0  0
 21 53  1  0  0  0  0
 22 54  1  0  0  0  0
 23 26  1  0  0  0  0
 23 55  1  0  0  0  0
 24 29  1  0  0  0  0
 24 34  1  0  0  0  0
 25 56  1  0  0  0  0
 25 57  1  0  0  0  0
 25 58  1  0  0  0  0
 26 59  1  0  0  0  0
 26 60  1  0  0  0  0
 27 61  1  0  0  0  0
 27 62  1  0  0  0  0
 27 63  1  0  0  0  0
 28 32  1  0  0  0  0
 28 64  1  0  0  0  0
 28 65  1  0  0  0  0
 29 32  1  0  0  0  0
 29 35  1  1  0  0  0
 29 66  1  0  0  0  0
 30 67  1  0  0  0  0
 30 68  1  0  0  0  0
 31 69  1  0  0  0  0
 31 70  1  0  0  0  0
 31 71  1  0  0  0  0
 32 72  1  0  0  0  0
 32 73  1  0  0  0  0
 34 74  1  0  0  0  0
 34 75  1  0  0  0  0
 34 76  1  0  0  0  0
 35 77  1  0  0  0  0
 35 78  1  0  0  0  0
 35 79  1  0  0  0  0
M  END

$$$$
D03KJL
  -OEChem-10101305022D

 16 16  0     0  0  0  0  0  0999 V2000
    2.8660    2.0000    0.0000 I   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
    2.0000    2.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.5000    0.0000 O   0  5  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   -2.0000    0.0000 N   0  3  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
    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
    3.7320   -0.5000    0.0000 C   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
    4.2690   -0.8100    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  7  1  0  0  0  0
  4  6  1  0  0  0  0
  5  6  2  0  0  0  0
  6  8  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 12  1  0  0  0  0
  9 11  1  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 15  1  0  0  0  0
 12 16  1  0  0  0  0
M  CHG  2   4  -1   6   1
M  END

$$$$
D03KKH
  -OEChem-10101305032D

 20 20  0     1  0  0  0  0  0999 V2000
    4.2690    2.0950    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
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  1  8  1  0  0  0  0
  1 20  1  0  0  0  0
  2  8  2  0  0  0  0
  4  3  1  6  0  0  0
  3 17  1  0  0  0  0
  3 18  1  0  0  0  0
  4  5  1  0  0  0  0
  4  8  1  0  0  0  0
  4 12  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  6  9  1  0  0  0  0
  6 13  1  0  0  0  0
  7 10  2  0  0  0  0
  7 14  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 16  1  0  0  0  0
 11 19  1  0  0  0  0
M  END

$$$$
D03KKK
  -OEChem-10101305022D

 33 34  0     0  0  0  0  0  0999 V2000
    3.7320   -0.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    2.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.5981    1.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2764    1.5547    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    6.3301    0.2500    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
    4.5981    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8660    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1 10  2  0  0  0  0
  2 12  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
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  4 12  1  0  0  0  0
  5 11  1  0  0  0  0
  5 16  1  0  0  0  0
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  7 13  1  0  0  0  0
  7 18  1  0  0  0  0
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  8 11  2  0  0  0  0
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  9 21  1  0  0  0  0
 11 12  1  0  0  0  0
 13 15  1  0  0  0  0
 13 22  1  0  0  0  0
 13 23  1  0  0  0  0
 14 17  1  0  0  0  0
 14 24  1  0  0  0  0
 14 25  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 30  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
M  END

$$$$
D03KKR
  -OEChem-10121500332D

 37 39  0     1  0  0  0  0  0999 V2000
    3.1235    0.3573    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.1235    0.3573    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1235    0.3573    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1235   -0.6427    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    2.6235   -2.8333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7895    2.8781    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    2.2225   -1.0766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2470   -2.0515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.0515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6235   -2.8333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.2575    2.8573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.1235    3.3573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.7895    1.8365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  1 12  1  0  0  0  0
  4  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5 10  1  0  0  0  0
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  5 31  1  0  0  0  0
  6 19  2  0  0  0  0
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  7  9  1  0  0  0  0
  7 21  1  0  0  0  0
  7 22  1  0  0  0  0
  8 10  1  0  0  0  0
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 10 27  1  0  0  0  0
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 13 15  2  0  0  0  0
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 14 32  1  0  0  0  0
 15 18  1  0  0  0  0
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 17 34  1  0  0  0  0
 18 35  1  0  0  0  0
 19 36  1  0  0  0  0
 20 37  1  0  0  0  0
M  END

$$$$
D03KLM
  -OEChem-10101305032D

 35 38  0     0  0  0  0  0  0999 V2000
    8.0434    2.5924    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.4008   -2.5924    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1871    1.6624    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    5.8550    0.9181    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.6577   -1.3372    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    4.5981   -0.3372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5443   -0.0324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.3372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1 22  1  0  0  0  0
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  3  5  1  0  0  0  0
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  5 29  1  0  0  0  0
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  8  9  1  0  0  0  0
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 10 14  1  0  0  0  0
 11 12  2  0  0  0  0
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 13 16  2  0  0  0  0
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 14 26  1  0  0  0  0
 15 20  1  0  0  0  0
 16 18  1  0  0  0  0
 16 21  1  0  0  0  0
 18 27  1  0  0  0  0
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 19 28  1  0  0  0  0
 20 23  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
 22 23  1  0  0  0  0
 23 34  1  0  0  0  0
M  END

$$$$
D03KLN
  -OEChem-10101305022D

 29 31  0     0  0  0  0  0  0999 V2000
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    4.4487    0.6012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3147    1.1012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.6691   -0.4920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.5402    0.1144    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5165   -0.7317    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5165    0.9341    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9389   -2.3082    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3834   -1.1704    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2027    2.1012    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5827    2.7212    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9627    2.1012    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
  1 17  1  0  0  0  0
  2  4  1  0  0  0  0
  2 12  1  0  0  0  0
  2 15  1  0  0  0  0
  3 15  2  0  0  0  0
  3 16  1  0  0  0  0
  4  7  2  0  0  0  0
  4  8  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 10  2  0  0  0  0
  6  9  1  0  0  0  0
  6 11  2  0  0  0  0
  7 18  1  0  0  0  0
  8  9  2  0  0  0  0
  9 19  1  0  0  0  0
 10 13  1  0  0  0  0
 10 20  1  0  0  0  0
 11 14  1  0  0  0  0
 11 21  1  0  0  0  0
 12 16  2  0  0  0  0
 12 22  1  0  0  0  0
 13 14  2  0  0  0  0
 13 23  1  0  0  0  0
 14 24  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
 17 28  1  0  0  0  0
 17 29  1  0  0  0  0
M  END

$$$$
D03KLO
  -OEChem-10101305032D

 26 27  0     0  0  0  0  0  0999 V2000
    5.5443    0.3047    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5443   -1.3047    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.5000    0.0000 N   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
    6.1279   -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
    4.5981   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1279   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.0000    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    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6279   -1.3660    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
    5.7369    0.8941    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.3291    0.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3520    1.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1120    1.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    7.9379   -1.9030    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    1.4631   -1.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   -2.0369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
  1 14  1  0  0  0  0
  2  5  2  0  0  0  0
  2  7  1  0  0  0  0
  3  7  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  8  1  0  0  0  0
  6  9  2  0  0  0  0
  6 11  1  0  0  0  0
  8 12  1  0  0  0  0
  8 15  1  0  0  0  0
  8 16  1  0  0  0  0
  9 10  1  0  0  0  0
  9 17  1  0  0  0  0
 10 13  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
 12 22  1  0  0  0  0
 12 23  1  0  0  0  0
 13 24  1  0  0  0  0
 13 25  1  0  0  0  0
 13 26  1  0  0  0  0
M  END

$$$$
D03KLT
  -OEChem-10101305022D

 71 73  0     1  0  0  0  0  0999 V2000
    7.1275    0.6322    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5113    1.8891    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6064    5.3026    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7117   -1.3241    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6902    1.6615    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4608    3.6689    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6197    4.9560    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.3002    4.7965    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0786    0.9412    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8492    2.9486    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1765    0.3232    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.9411   -3.3315    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.4764   -4.9787    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.6353   -3.6916    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0434    4.1274    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    6.7343    3.1763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0434    4.1274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3354    1.6104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.8707   -0.0369    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.3139    4.5959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1060    3.6178    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.0466    3.5364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6138   -0.7060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.1550    3.3088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4059   -1.6842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9976    3.2274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8387    4.5146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3844    1.3014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.1491   -2.3533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4118    3.9779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7408    3.8965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5818    5.1837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5329    4.8747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6843   -4.0006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.4243    2.6394    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6498    4.2563    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    6.4671    5.3936    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6682    1.1328    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4603    0.1547    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9771    3.0113    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6664    2.9270    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4460    2.7613    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    8.0774   -2.2100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9781    3.5551    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1265    2.6210    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   11.0961   -4.1064    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7642   -3.0851    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 20  2  0  0  0  0
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  3 23  2  0  0  0  0
  4 27  2  0  0  0  0
  5 33  2  0  0  0  0
  6 35  1  0  0  0  0
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 10 20  1  0  0  0  0
 10 22  1  0  0  0  0
 10 47  1  0  0  0  0
 11 24  1  0  0  0  0
 11 33  1  0  0  0  0
 11 56  1  0  0  0  0
 12 27  1  0  0  0  0
 12 32  1  0  0  0  0
 12 59  1  0  0  0  0
 13 34  1  0  0  0  0
 13 39  2  0  0  0  0
 14 39  1  0  0  0  0
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 15 39  1  0  0  0  0
 15 70  1  0  0  0  0
 15 71  1  0  0  0  0
 16 18  1  0  0  0  0
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 16 40  1  1  0  0  0
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 17 41  1  1  0  0  0
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 19 45  1  0  0  0  0
 21 25  1  0  0  0  0
 22 26  1  1  0  0  0
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 22 48  1  0  0  0  0
 23 24  1  0  0  0  0
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 25 30  2  0  0  0  0
 25 31  1  0  0  0  0
 26 29  1  0  0  0  0
 26 50  1  0  0  0  0
 26 51  1  0  0  0  0
 28 35  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
 29 54  1  0  0  0  0
 29 55  1  0  0  0  0
 30 36  1  0  0  0  0
 30 57  1  0  0  0  0
 31 37  2  0  0  0  0
 31 58  1  0  0  0  0
 32 33  1  0  0  0  0
 32 60  1  0  0  0  0
 32 61  1  0  0  0  0
 34 62  1  0  0  0  0
 34 63  1  0  0  0  0
 36 38  2  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
M  END

$$$$
D03KLU
  -OEChem-04152111342D

 32 33  0     1  0  0  0  0  0999 V2000
    2.0000    2.7175    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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  1 20  1  0  0  0  0
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 11  5  1  1  0  0  0
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  7 17  2  0  0  0  0
 12  8  1  6  0  0  0
  8 16  1  0  0  0  0
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 10 32  1  0  0  0  0
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 14 15  1  6  0  0  0
 14 25  1  0  0  0  0
 15 26  1  0  0  0  0
 15 27  1  0  0  0  0
 16 18  2  0  0  0  0
 16 28  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
M  END

$$$$
D03KLW
  -OEChem-10101305032D

 33 34  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
    6.3301    1.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.5000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.5000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -4.5000    0.0000 F   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    2.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    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  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
    3.7320   -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
    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
    4.5981   -3.0000    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
    3.7320   -3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    3.0000    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
    7.1962    4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    4.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5200    0.0826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1215   -0.6077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    5.2087    0.1077    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
    2.3291   -3.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.9272    2.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7932    4.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    8.5991    2.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 21  1  0  0  0  0
  2 16  2  0  0  0  0
  3 12  1  0  0  0  0
  4 13  1  0  0  0  0
  5 17  1  0  0  0  0
  6 10  1  0  0  0  0
  6 16  1  0  0  0  0
  6 27  1  0  0  0  0
  7 16  1  0  0  0  0
  7 18  1  0  0  0  0
  7 30  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
  9 11  1  0  0  0  0
  9 23  1  0  0  0  0
  9 24  1  0  0  0  0
 10 25  1  0  0  0  0
 10 26  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 12 14  1  0  0  0  0
 13 15  2  0  0  0  0
 14 17  2  0  0  0  0
 14 28  1  0  0  0  0
 15 17  1  0  0  0  0
 15 29  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 31  1  0  0  0  0
 20 21  1  0  0  0  0
 20 32  1  0  0  0  0
 21 22  2  0  0  0  0
 22 33  1  0  0  0  0
M  END

$$$$
D03KMG
  -OEChem-10101305032D

 36 37  0     1  0  0  0  0  0999 V2000
    3.7320    0.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.7320    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7320    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.5000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.5981    1.5000    0.0000 C   0  0  1  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
    2.8660    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    3.0000    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
    2.0000    1.0000    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
    2.8660   -1.5000    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   -2.5000    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
    3.7320   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.8800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.8800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2087    2.3923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8101    3.0826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6540    3.0826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2554    2.3923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1306    3.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3335    3.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900    1.5369    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
    2.3100    0.4631    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1541    0.4631    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    0.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7741    1.5369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -1.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -1.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -2.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -2.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.6200    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  4  1  0  0  0  0
  1 12  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  5  8  1  0  0  0  0
  5 11  1  1  0  0  0
  5 19  1  0  0  0  0
  6  7  1  0  0  0  0
  6 10  1  1  0  0  0
  6 18  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  9  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 29  1  0  0  0  0
 10 30  1  0  0  0  0
 10 31  1  0  0  0  0
 11 26  1  0  0  0  0
 11 27  1  0  0  0  0
 11 28  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 13 15  1  0  0  0  0
 13 32  1  0  0  0  0
 14 16  2  0  0  0  0
 14 33  1  0  0  0  0
 15 17  2  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
 17 36  1  0  0  0  0
M  END

$$$$
D03KNI
  -OEChem-10191522112D

 55 57  0     0  0  0  0  0  0999 V2000
   12.6580    3.1438    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.7003    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.8335   -0.7388    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1871   -0.2007    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.6085    2.8332    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7075    3.4545    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1279   -2.7003    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0796    0.8304    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.3473    2.1933    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5443   -3.5050    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.1226    0.4179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4333    1.3684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7905   -0.3264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4118    1.5747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7690   -0.1202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1441    0.2117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0582    1.0366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3688    1.9871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8550   -0.9450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5443   -1.8956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.2003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1279   -2.7003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -3.2003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9686    4.0944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.7003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.7003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.2003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.2003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6279   -3.5663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7086    0.8794    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4127    1.9881    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8195    1.4558    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2641   -0.6540    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0217   -0.9016    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9382    1.9023    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1805    2.1499    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7896   -0.7398    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3828   -0.2075    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1236    0.8314    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   11.0787    0.4169    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.6720    0.9492    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3482    2.6068    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7550    2.0744    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.7614    1.7318    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.5580    3.9017    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.1613    4.6837    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.3793    4.2870    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7369   -4.0944    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.3291   -3.5103    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0910   -3.8763    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9379   -4.1033    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1648   -3.2563    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  9  1  0  0  0  0
  1 24  1  0  0  0  0
  2 27  1  0  0  0  0
  3 16  1  0  0  0  0
  3 19  1  0  0  0  0
  4 19  2  0  0  0  0
  7 22  1  0  0  0  0
  7 29  1  0  0  0  0
  8 14  1  0  0  0  0
  8 15  1  0  0  0  0
  8 17  1  0  0  0  0
  9 18  1  0  0  0  0
  9 45  1  0  0  0  0
 10 22  1  0  0  0  0
 10 23  1  0  0  0  0
 10 49  1  0  0  0  0
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 13 15  1  0  0  0  0
 13 33  1  0  0  0  0
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 14 36  1  0  0  0  0
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 16 40  1  0  0  0  0
 17 18  1  0  0  0  0
 17 41  1  0  0  0  0
 17 42  1  0  0  0  0
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 18 44  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  2  0  0  0  0
 21 23  2  0  0  0  0
 21 25  1  0  0  0  0
 23 26  1  0  0  0  0
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 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
 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
M  END

$$$$
D03KPA
  -OEChem-10101305022D

 40 42  0     0  0  0  0  0  0999 V2000
    8.0102    1.3440    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4103   -2.3727    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.4238    2.1540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9617    1.6514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0130    2.9620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9635    2.6514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6995    0.3935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7210    0.1873    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4103   -0.7633    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.0680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -2.0680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9939   -1.5680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.5680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.0680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.5680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.0680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.5680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.0680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9637    2.5697    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9623    1.7400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0896    1.0447    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5785    1.7151    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1  3  1  0  0  0  0
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  3 19  1  0  0  0  0
  3 20  1  0  0  0  0
  4  6  1  0  0  0  0
  4 21  1  0  0  0  0
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  6 24  1  0  0  0  0
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  7  8  1  0  0  0  0
  7 27  1  0  0  0  0
  7 28  1  0  0  0  0
  8  9  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
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 10 11  2  0  0  0  0
 10 13  1  0  0  0  0
 11 15  1  0  0  0  0
 12 31  1  0  0  0  0
 13 14  2  0  0  0  0
 13 33  1  0  0  0  0
 14 16  1  0  0  0  0
 14 17  1  0  0  0  0
 15 16  2  0  0  0  0
 15 34  1  0  0  0  0
 16 35  1  0  0  0  0
 17 18  1  0  0  0  0
 17 36  1  0  0  0  0
 17 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
M  END

$$$$
D03KQG
  -OEChem-10101305022D

 20 20  0     0  0  0  0  0  0999 V2000
    4.5411    0.3644    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8090    0.3644    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6750    1.8644    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3090   -2.1744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3090   -2.1744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.2234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6180   -1.2234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6750    0.8644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2442   -2.7910    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.2721    0.6744    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2120    2.1744    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1381    2.1744    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  2  0  0  0  0
  2  3  1  0  0  0  0
  2  7  1  0  0  0  0
  2  8  1  0  0  0  0
  3  9  1  0  0  0  0
  3 18  1  0  0  0  0
  4  9  1  0  0  0  0
  4 19  1  0  0  0  0
  4 20  1  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
  5 11  1  0  0  0  0
  6  7  1  0  0  0  0
  6 12  1  0  0  0  0
  6 13  1  0  0  0  0
  7 14  1  0  0  0  0
  7 15  1  0  0  0  0
  8 16  1  0  0  0  0
  8 17  1  0  0  0  0
M  END

$$$$
D03KRB
  -OEChem-10101305032D

 31 32  0     0  0  0  0  0  0999 V2000
    3.0000    0.8450    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.4641    0.8450    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.7320   -0.1550    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.4641    0.8450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.8450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.8450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0000    0.8450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3301   -1.6550    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1340   -1.6550    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4641    1.8450    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    1.8450    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4641   -0.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -0.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5981   -0.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.8660   -1.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5981   -1.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.0611   -1.9650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    7.8671   -0.3450    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4631    2.1550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5369    2.1550    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 11  1  0  0  0  0
  1 13  1  0  0  0  0
  2  4  2  0  0  0  0
  2  5  2  0  0  0  0
  2 10  1  0  0  0  0
  2 12  1  0  0  0  0
  3 14  1  0  0  0  0
  3 15  1  0  0  0  0
  8 18  2  0  0  0  0
  8 21  1  0  0  0  0
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  9 20  1  0  0  0  0
 10 28  1  0  0  0  0
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 11 30  1  0  0  0  0
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 13 15  2  0  0  0  0
 13 19  1  0  0  0  0
 14 17  1  0  0  0  0
 15 16  1  0  0  0  0
 16 20  2  0  0  0  0
 16 23  1  0  0  0  0
 17 21  2  0  0  0  0
 17 22  1  0  0  0  0
 18 24  1  0  0  0  0
 19 25  1  0  0  0  0
 20 27  1  0  0  0  0
 21 26  1  0  0  0  0
M  END

$$$$
D03KRW
  -OEChem-10101305022D

 48 50  0     1  0  0  0  0  0999 V2000
    3.8590   -0.8453    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.5771    2.9688    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.8590   -4.8453    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.3590    2.3453    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.3590    2.3453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7355    1.5635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9825    1.5635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9580    0.5886    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7599    0.5886    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3590    3.3453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2250    3.8453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4930    3.8453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8590   -1.8453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2250    4.8453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4930    4.8453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.3590    5.3453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9930   -3.3453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  3  2  0  0  0  0
  1  4  2  0  0  0  0
  1  6  1  0  0  0  0
  1 16  1  0  0  0  0
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  2 36  1  0  0  0  0
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  8 10  1  0  0  0  0
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  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 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 14  2  0  0  0  0
 13 15  1  0  0  0  0
 14 17  1  0  0  0  0
 14 37  1  0  0  0  0
 15 18  2  0  0  0  0
 15 38  1  0  0  0  0
 16 19  2  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 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
 20 23  2  0  0  0  0
 20 42  1  0  0  0  0
 21 43  1  0  0  0  0
 22 24  2  0  0  0  0
 22 44  1  0  0  0  0
 23 24  1  0  0  0  0
 23 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
M  END

$$$$
D03KSL
  -OEChem-10101305032D

 51 53  0     1  0  0  0  0  0999 V2000
   10.6350   -3.1193    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.4608    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2993    3.5295    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6565    1.8347    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4103   -1.3439    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    6.7210    1.2161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6995    1.4223    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.9939   -0.5392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.0392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.7210   -2.2944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0102    2.3728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3673    0.6780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.6995   -2.5007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END

$$$$
D03KTU
  -OEChem-10101305022D

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M  END

$$$$
D03KUH
  -OEChem-10121502022D

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  1 20  1  0  0  0  0
  2 14  2  0  0  0  0
  3 17  1  0  0  0  0
  3 23  1  0  0  0  0
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  4 45  1  0  0  0  0
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  5 10  1  0  0  0  0
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  6 14  1  0  0  0  0
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  7 11  1  1  0  0  0
  7 24  1  0  0  0  0
  8  9  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 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 31  1  0  0  0  0
 11 32  1  0  0  0  0
 12 13  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 15  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 20  2  0  0  0  0
 18 19  1  0  0  0  0
 18 21  2  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 21  1  0  0  0  0
 21 41  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
 23 46  1  0  0  0  0
 23 47  1  0  0  0  0
 23 48  1  0  0  0  0
M  END

$$$$
D03KXQ
  -OEChem-10101305022D

 47 48  0     1  0  0  0  0  0999 V2000
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    2.8660    0.5355    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7320   -0.9645    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    3.9595    2.1992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0000   -3.9645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.9645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -4.4645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0781    0.8732    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1 10  2  0  0  0  0
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  3  6  1  0  0  0  0
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 11  5  1  1  0  0  0
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  9 29  1  0  0  0  0
 10 11  1  0  0  0  0
 11 13  1  0  0  0  0
 11 30  1  0  0  0  0
 13 14  1  0  0  0  0
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 15 38  1  0  0  0  0
 16 17  1  0  0  0  0
 16 41  1  0  0  0  0
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 17 18  2  0  0  0  0
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 18 20  1  0  0  0  0
 18 43  1  0  0  0  0
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 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 47  1  0  0  0  0
M  END

$$$$
D03KXT
  -OEChem-10101305022D

 38 40  0     0  0  0  0  0  0999 V2000
    4.5981   -0.2694    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    3.7306    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -5.2694    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0981    5.2694    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.7694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.2694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.7694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.2694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.7306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.4641    1.2306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  7  1  0  0  0  0
  1  9  1  0  0  0  0
  2 10  1  0  0  0  0
  2 17  1  0  0  0  0
  2 20  1  0  0  0  0
  3 18  2  0  0  0  0
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  4 21  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 22  1  0  0  0  0
  5 23  1  0  0  0  0
  6  8  1  0  0  0  0
  6 24  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 15  2  0  0  0  0
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  9 11  2  0  0  0  0
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 10 13  2  0  0  0  0
 10 14  1  0  0  0  0
 11 13  1  0  0  0  0
 11 28  1  0  0  0  0
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 13 30  1  0  0  0  0
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 15 18  1  0  0  0  0
 15 32  1  0  0  0  0
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 16 33  1  0  0  0  0
 17 21  2  0  0  0  0
 17 34  1  0  0  0  0
 18 36  1  0  0  0  0
 19 37  1  0  0  0  0
 20 35  1  0  0  0  0
 21 38  1  0  0  0  0
M  END

$$$$
D03KYI
          10230900422D 1   1.00000     0.00000     0

 26 28  0     0  0            999 V2000
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    3.1215  -11.1485    0.0000 O   0  0  0  0  0  0           0  0  0
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    0.1262  -11.5068    0.0000 C   0  0  0  0  0  0           0  0  0
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   -0.4940  -12.5705    0.0000 C   0  0  0  0  0  0           0  0  0
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   -0.4952  -13.2805    0.0000 O   0  0  0  0  0  0           0  0  0
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  1  2  2  0     0  0
  1  3  1  0     0  0
  4  1  1  0     0  0
  5  4  1  0     0  0
  6  5  1  0     0  0
  6  3  1  0     0  0
  5  7  2  0     0  0
  9  8  1  0     0  0
 10  9  1  0     0  0
 11 10  2  0     0  0
 12 11  1  0     0  0
 13 12  2  0     0  0
 14 13  1  0     0  0
 14  9  2  0     0  0
 13 15  1  0     0  0
 12 16  1  0     0  0
 11 17  1  0     0  0
  6  8  2  0     0  0
 19 18  1  0     0  0
 20 19  1  0     0  0
 21 20  2  0     0  0
 22 21  1  0     0  0
 23 22  2  0     0  0
 24 23  1  0     0  0
 24 19  2  0     0  0
 22 25  1  0     0  0
 21 26  1  0     0  0
  4 18  1  0     0  0
M  END

$$$$
D03KYW
  -OEChem-10101305022D

 55 58  0     1  0  0  0  0  0999 V2000
    9.1493    1.8120    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.1314    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    8.3393    1.2257    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.7510   -0.5859    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.5271    1.4209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6610    0.9209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3393   -0.3838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5431   -1.6206    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    5.6451   -2.1483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.8242   -0.0218    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 21 53  1  0  0  0  0
 21 54  1  0  0  0  0
 22 23  1  0  0  0  0
 22 55  1  0  0  0  0
M  END

$$$$
D03KYZ
  -OEChem-10101305022D

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M  END

$$$$
D03KZH
  -OEChem-10121501452D

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 24  9  1  1  0  0  0
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 15 53  1  0  0  0  0
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 17 55  1  0  0  0  0
 18 56  1  0  0  0  0
 18 57  1  0  0  0  0
 20 22  1  0  0  0  0
 21 25  1  0  0  0  0
 21 26  1  0  0  0  0
 21 60  1  0  0  0  0
 22 27  1  0  0  0  0
 22 61  1  0  0  0  0
 22 62  1  0  0  0  0
 23 24  1  0  0  0  0
 24 28  1  0  0  0  0
 24 63  1  0  0  0  0
 25 30  2  0  0  0  0
 25 32  1  0  0  0  0
 26 29  2  0  0  0  0
 26 31  1  0  0  0  0
 27 33  2  0  0  0  0
 27 34  1  0  0  0  0
 28 64  1  0  0  0  0
 28 65  1  0  0  0  0
 28 66  1  0  0  0  0
 29 36  1  0  0  0  0
 29 68  1  0  0  0  0
 30 35  1  0  0  0  0
 30 67  1  0  0  0  0
 31 38  2  0  0  0  0
 31 70  1  0  0  0  0
 32 37  2  0  0  0  0
 32 69  1  0  0  0  0
 33 42  1  0  0  0  0
 33 72  1  0  0  0  0
 34 43  2  0  0  0  0
 34 73  1  0  0  0  0
 35 40  2  0  0  0  0
 35 74  1  0  0  0  0
 36 41  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  1  0  0  0  0
 38 77  1  0  0  0  0
 39 78  1  0  0  0  0
 39 79  1  0  0  0  0
 39 80  1  0  0  0  0
 40 81  1  0  0  0  0
 41 82  1  0  0  0  0
 42 44  2  0  0  0  0
 42 83  1  0  0  0  0
 43 44  1  0  0  0  0
 43 84  1  0  0  0  0
 44 85  1  0  0  0  0
M  END

$$$$
D03KZK
  -OEChem-10101305032D

 21 20  0     1  0  0  0  0  0999 V2000
    3.4030    0.2220    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
    5.1350   -0.7780    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -0.2780    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9030   -0.6440    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    0.2220    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.7220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    0.2220    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.0010    0.7220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9030    1.0880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6675    1.1969    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8705    1.1969    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8711   -0.2030    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3996    1.1969    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6025    1.1969    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4399    1.3980    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5930    1.6249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3660    0.7780    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6720   -1.0880    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.0320    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4040    0.5320    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -0.3980    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  1  6  1  0  0  0  0
  1  9  1  0  0  0  0
  2  7  1  0  0  0  0
  2 18  1  0  0  0  0
  3 19  1  0  0  0  0
  5  8  1  0  0  0  0
  5 20  1  0  0  0  0
  5 21  1  0  0  0  0
  6  7  1  0  0  0  0
  6 10  1  0  0  0  0
  6 11  1  0  0  0  0
  7  8  1  0  0  0  0
  7 12  1  0  0  0  0
  8 13  1  0  0  0  0
  8 14  1  0  0  0  0
  9 15  1  0  0  0  0
  9 16  1  0  0  0  0
  9 17  1  0  0  0  0
M  END

$$$$
D03LBD
  -OEChem-04152111032D

 57 56  0     0  0  0  0  0  0999 V2000
    3.0000    7.3100    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    4.8100    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.0600    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   11.7331   11.6200    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   10.0010   12.6200    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   10.0010    6.6200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0010    2.6200    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.0010    0.6200    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.2690    6.6200    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.0010    8.6200    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.1350    2.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8671    2.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1350    1.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8671    1.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0010    3.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1350    4.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1350    5.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2690    3.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2690    5.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4030    5.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4030    4.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5369    5.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1350    7.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1350    8.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0010    9.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8671   10.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1350   10.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8671   11.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1350   11.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0010   11.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9230    2.7026    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5244    2.0123    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4776    2.0123    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0791    2.7026    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5244    1.2277    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9230    0.5374    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0791    0.5374    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4776    1.2277    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6116    3.5123    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2131    4.2026    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0010    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6720    5.4300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2690    3.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8660    3.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7320    6.9300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8469    6.1569    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0000    5.9300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2269    5.0831    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9230    8.7026    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5244    8.0123    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5380    8.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4040    9.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5981    9.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5981   11.4300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0000    7.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0000    4.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0000    6.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 55  1  0  0  0  0
  2 56  1  0  0  0  0
  3 57  1  0  0  0  0
  4 28  1  0  0  0  0
  5 30  1  0  0  0  0
  6 23  2  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 13  1  0  0  0  0
  8 14  1  0  0  0  0
  8 41  1  0  0  0  0
  9 19  1  0  0  0  0
  9 23  1  0  0  0  0
  9 45  1  0  0  0  0
 10 24  1  0  0  0  0
 10 25  1  0  0  0  0
 10 51  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 14  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
 14 37  1  0  0  0  0
 14 38  1  0  0  0  0
 15 16  1  0  0  0  0
 15 39  1  0  0  0  0
 15 40  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 42  1  0  0  0  0
 18 21  2  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 22  1  0  0  0  0
 21 44  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 24  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 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
 29 30  1  0  0  0  0
 29 54  1  0  0  0  0
M  END

$$$$
D03LCM
  -OEChem-10101305022D

 25 26  0     0  0  0  0  0  0999 V2000
    2.0000    0.2500    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    9.7942   -0.2500    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.2500    0.0000 N   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
    4.5981   -0.2500    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    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.2500    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
    2.8660   -0.2500    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
    7.1962    1.2500    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
    8.0622    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    1.2500    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
    6.3301   -0.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -1.5600    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
    6.6592    1.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -1.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    2.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651    1.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  0  0  0  0
  2 17  1  0  0  0  0
  3  7  2  0  0  0  0
  4  7  1  0  0  0  0
  4  8  1  0  0  0  0
  4 18  1  0  0  0  0
  5  8  2  0  0  0  0
  5 17  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
  8 13  1  0  0  0  0
  9 11  1  0  0  0  0
  9 19  1  0  0  0  0
 10 12  2  0  0  0  0
 10 20  1  0  0  0  0
 11 14  2  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 23  1  0  0  0  0
 15 16  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
M  END

$$$$
D03LDH
  -OEChem-10101305022D

 50 53  0     1  0  0  0  0  0999 V2000
    9.7942   -1.0000    0.0000 O   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
    5.4641    0.5000    0.0000 N   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   -0.5000    0.0000 C   0  0  3  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
    6.3301   -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
    8.9282    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
    4.5981    1.0000    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
   10.6603   -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
   11.5542    1.0347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5542   -1.0347    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
   12.4603    0.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4603   -0.5208    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   -1.0000    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
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  4 25  1  0  0  0  0
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 10 37  1  0  0  0  0
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 13 14  1  0  0  0  0
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 16 20  1  0  0  0  0
 16 42  1  0  0  0  0
 17 21  1  0  0  0  0
 17 43  1  0  0  0  0
 18 22  1  0  0  0  0
 18 44  1  0  0  0  0
 19 23  2  0  0  0  0
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 20 21  2  0  0  0  0
 20 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 24  1  0  0  0  0
 23 49  1  0  0  0  0
 24 50  1  0  0  0  0
M  END

$$$$
D03LGM
  -OEChem-04152122302D

 57 59  0     1  0  0  0  0  0999 V2000
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    2.0000    0.3573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6691   -0.3858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4487   -0.4791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 11  5  1  1  0  0  0
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  7 30  1  0  0  0  0
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  8  9  1  0  0  0  0
  8 32  1  0  0  0  0
  8 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
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 12 37  1  0  0  0  0
 14 17  2  0  0  0  0
 14 19  1  0  0  0  0
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 15 20  1  0  0  0  0
 16 21  1  0  0  0  0
 16 41  1  0  0  0  0
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 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
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 20 25  2  0  0  0  0
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 21 28  1  0  0  0  0
 21 47  1  0  0  0  0
 21 48  1  0  0  0  0
 22 26  2  0  0  0  0
 22 49  1  0  0  0  0
 23 27  2  0  0  0  0
 23 50  1  0  0  0  0
 24 26  1  0  0  0  0
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 25 27  1  0  0  0  0
 25 52  1  0  0  0  0
 26 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

$$$$
D03LGV
  -OEChem-10101305022D

 21 22  0     1  0  0  0  0  0999 V2000
    2.8660   -2.4330    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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 10 12  2  0  0  0  0
 10 20  1  0  0  0  0
 11 12  1  0  0  0  0
 11 21  1  0  0  0  0
M  END

$$$$
D03LGX
  -OEChem-04152111082D

 39 40  0     1  0  0  0  0  0999 V2000
    6.4641    0.3100    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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  7 26  1  0  0  0  0
  8 11  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 25  1  0  0  0  0
 10 13  2  0  0  0  0
 10 16  1  0  0  0  0
 11 14  2  0  0  0  0
 12 15  1  0  0  0  0
 12 17  2  0  0  0  0
 13 18  1  0  0  0  0
 14 19  1  0  0  0  0
 15 20  2  0  0  0  0
 15 21  1  0  0  0  0
 16 24  1  0  0  0  0
 17 22  1  0  0  0  0
 17 27  1  0  0  0  0
 18 28  1  0  0  0  0
 18 29  1  0  0  0  0
 18 30  1  0  0  0  0
 19 31  1  0  0  0  0
 19 32  1  0  0  0  0
 19 33  1  0  0  0  0
 20 23  1  0  0  0  0
 20 34  1  0  0  0  0
 22 23  2  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
 24 38  1  0  0  0  0
 24 39  1  0  0  0  0
M  CHG  2   5  -1   8   1
M  END

$$$$
D03LHJ
  -OEChem-10101305032D

 32 33  0     0  0  0  0  0  0999 V2000
    4.5981   -0.2673    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0901   -0.3020    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -1.7673    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8602   -0.2915    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.2673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    0.2327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.2327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    1.2327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.2327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.2327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    1.7327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.2673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -1.2673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0901    1.7673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.2327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9962    1.2535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9962    0.2119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.7673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1306    0.7076    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3335    0.7076    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9272    1.5427    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    2.3527    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4675   -0.7423    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2646   -0.7423    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0829    2.3873    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100    0.7696    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    0.5427    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -0.3043    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5319    1.5656    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1541   -1.2304    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9272   -2.0773    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7741   -2.3043    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
  2  6  1  0  0  0  0
  2 17  1  0  0  0  0
  3 13  2  0  0  0  0
  4 17  2  0  0  0  0
  5  6  1  0  0  0  0
  5  7  2  0  0  0  0
  5 13  1  0  0  0  0
  6  8  2  0  0  0  0
  7 10  1  0  0  0  0
  8 11  1  0  0  0  0
  8 14  1  0  0  0  0
  9 12  1  0  0  0  0
  9 19  1  0  0  0  0
  9 20  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
 12 24  1  0  0  0  0
 13 18  1  0  0  0  0
 14 16  2  0  0  0  0
 14 25  1  0  0  0  0
 15 26  1  0  0  0  0
 15 27  1  0  0  0  0
 15 28  1  0  0  0  0
 16 17  1  0  0  0  0
 16 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
M  END

$$$$
D03LIE
          05111000182D 1   1.00000     0.00000     0

 34 36  0     0  0            999 V2000
   -0.5891   -3.2909    0.0000 N   0  0  3  0  0  0           0  0  0
    4.3303   -3.2672    0.0000 N   0  0  3  0  0  0           0  0  0
    0.0277   -2.2250    0.0000 C   0  0  0  0  0  0           0  0  0
    0.0266   -2.9357    0.0000 C   0  0  0  0  0  0           0  0  0
    0.6414   -3.2902    0.0000 C   0  0  0  0  0  0           0  0  0
    0.6396   -1.8705    0.0000 C   0  0  0  0  0  0           0  0  0
    1.2508   -2.2213    0.0000 C   0  0  0  0  0  0           0  0  0
    1.2519   -2.9320    0.0000 C   0  0  0  0  0  0           0  0  0
    1.8669   -3.2849    0.0000 S   0  3  0  0  0  0           0  0  0
    1.8613   -1.8650    0.0000 N   0  0  0  0  0  0           0  0  0
    2.4768   -2.2147    0.0000 C   0  0  0  0  0  0           0  0  0
    2.4808   -2.9274    0.0000 C   0  0  0  0  0  0           0  0  0
    3.0991   -3.2788    0.0000 C   0  0  0  0  0  0           0  0  0
    3.7138   -2.9183    0.0000 C   0  0  0  0  0  0           0  0  0
    3.7063   -2.2029    0.0000 C   0  0  0  0  0  0           0  0  0
    3.0875   -1.8548    0.0000 C   0  0  0  0  0  0           0  0  0
    4.3337   -3.9758    0.0000 C   0  0  0  0  0  0           0  0  0
    4.9466   -4.3246    0.0000 C   0  0  0  0  0  0           0  0  0
    5.5591   -3.9682    0.0000 N   0  0  0  0  0  0           0  0  0
    5.5546   -3.2591    0.0000 C   0  0  0  0  0  0           0  0  0
    4.9377   -2.9064    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.2024   -2.9366    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.8159   -3.2906    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.5892   -3.9992    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.2028   -4.3532    0.0000 C   0  0  0  0  0  0           0  0  0
    0.6382   -1.1622    0.0000 C   0  0  0  0  0  0           0  0  0
    0.0240   -0.8093    0.0000 C   0  0  0  0  0  0           0  0  0
    1.0250   -5.9787    0.0000 F   0  0  0  0  0  0           0  0  0
    1.7333   -5.9787    0.0000 F   0  0  0  0  0  0           0  0  0
    1.3792   -5.3292    0.0000 C   0  0  3  0  0  0           0  0  0
    1.9926   -4.9750    0.0000 C   0  0  0  0  0  0           0  0  0
    2.6060   -5.3292    0.0000 O   0  5  0  0  0  0           0  0  0
    1.9926   -4.2667    0.0000 O   0  0  0  0  0  0           0  0  0
    0.7657   -4.9750    0.0000 F   0  0  0  0  0  0           0  0  0
  9 12  2  0     0  0
  5  8  2  0     0  0
 11 10  2  0     0  0
  2 21  1  0     0  0
 17 18  1  0     0  0
 18 19  1  0     0  0
 19 20  1  0     0  0
 20 21  1  0     0  0
 10  7  1  0     0  0
  1 22  1  0     0  0
 22 23  1  0     0  0
  7  6  2  0     0  0
  1 24  1  0     0  0
 11 12  1  0     0  0
 24 25  1  0     0  0
  6  3  1  0     0  0
  6 26  1  0     0  0
 12 13  1  0     0  0
 26 27  1  0     0  0
  3  4  2  0     0  0
 13 14  2  0     0  0
 14 15  1  0     0  0
  7  8  1  0     0  0
 15 16  2  0     0  0
 16 11  1  0     0  0
 14  2  1  0     0  0
  4  1  1  0     0  0
  2 17  1  0     0  0
  4  5  1  0     0  0
  8  9  1  0     0  0
 30 29  1  0     0  0
 28 30  1  0     0  0
 30 31  1  0     0  0
 31 32  1  0     0  0
 31 33  2  0     0  0
 30 34  1  0     0  0
M  CHG  2   9   1  32  -1
M  END

$$$$
D03LIP
  -OEChem-10191522122D

 53 57  0     1  0  0  0  0  0999 V2000
    8.2511    1.0651    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5960    1.5757    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8830   -1.7443    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3830    0.4464    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.9814   -0.1130    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4691   -2.0307    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9972   -2.9057    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0065   -0.3355    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.9820   -1.3104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7840   -1.3104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7595   -0.3355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3830    0.4464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0190   -2.7290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2295   -2.0306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7690   -0.0131    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9491    1.3473    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2318   -1.7312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2974   -3.4213    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.7157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5124    2.1736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9519    1.4221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2762    0.8426    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0786    3.0745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5180    2.3230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0814    3.1493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5459    2.0207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5208    2.2432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2010    1.5102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8155    3.1988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1759    1.7327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7905    3.4213    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4706    2.6883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2113    0.2497    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3744   -2.6334    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6380    0.5929    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4031   -0.5674    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7789   -2.1547    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8682   -2.9739    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8500   -3.8506    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7266   -3.8687    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4082   -0.5307    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1307    2.1272    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6026    0.9098    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4278    3.5868    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8998    2.3694    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8123    3.7079    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5150    2.6399    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9307    2.0978    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0182    0.9177    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3938    3.6533    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5976    1.2782    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9732    4.0138    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.0751    2.8262    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 22  1  0  0  0  0
  1 26  1  0  0  0  0
  2 22  2  0  0  0  0
  3  9  1  0  0  0  0
  3 10  1  0  0  0  0
  3 13  1  0  0  0  0
  4  8  1  0  0  0  0
  4 12  2  0  0  0  0
  5  8  1  0  0  0  0
  5 22  1  0  0  0  0
  5 36  1  0  0  0  0
  6  7  1  0  0  0  0
  6 10  2  0  0  0  0
  7 13  2  0  0  0  0
  8 10  1  0  0  0  0
  8 33  1  0  0  0  0
  9 11  1  0  0  0  0
  9 14  2  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
 13 18  1  0  0  0  0
 14 17  1  0  0  0  0
 14 34  1  0  0  0  0
 15 19  1  0  0  0  0
 15 35  1  0  0  0  0
 16 20  2  0  0  0  0
 16 21  1  0  0  0  0
 17 19  2  0  0  0  0
 17 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 41  1  0  0  0  0
 20 23  1  0  0  0  0
 20 42  1  0  0  0  0
 21 24  2  0  0  0  0
 21 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 46  1  0  0  0  0
 26 27  1  0  0  0  0
 26 47  1  0  0  0  0
 26 48  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 49  1  0  0  0  0
 29 31  2  0  0  0  0
 29 50  1  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

$$$$
D03LIS
  -OEChem-10101305022D

 29 30  0     1  0  0  0  0  0999 V2000
    5.0298    0.6634    0.0000 Se  0  0  0  0  0  0  0  0  0  0  0  0
    5.0298   -1.5122    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1330   -3.2722    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4608   -1.2031    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3031   -3.1677    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1385    2.3190    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4118    0.6634    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5398    3.3370    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7208   -2.4632    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.4118   -1.5122    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.7208   -2.4632    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.2208   -0.9244    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.3086   -3.2722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2208    0.0756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7208    1.6145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7208    1.6145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1330    2.4235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1085   -2.3662    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3148   -0.8998    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3332   -2.3662    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4635   -0.5385    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7514   -3.5440    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4795   -3.8682    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3852   -3.8386    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1 14  1  0  0  0  0
  1 16  1  0  0  0  0
  2 11  1  0  0  0  0
  2 12  1  0  0  0  0
  9  3  1  1  0  0  0
  3 24  1  0  0  0  0
 10  4  1  1  0  0  0
  4 25  1  0  0  0  0
  5 13  1  0  0  0  0
  5 26  1  0  0  0  0
  6 17  2  0  0  0  0
  7 14  2  0  0  0  0
  7 15  1  0  0  0  0
  8 17  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 11  1  0  0  0  0
  9 18  1  0  0  0  0
 10 12  1  0  0  0  0
 10 19  1  0  0  0  0
 11 13  1  6  0  0  0
 11 20  1  0  0  0  0
 12 14  1  0  0  0  0
 12 21  1  1  0  0  0
 13 22  1  0  0  0  0
 13 23  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 16 27  1  0  0  0  0
M  END

$$$$
D03LJX
  -OEChem-10101305032D

 29 31  0     0  0  0  0  0  0999 V2000
    2.0000    1.1907    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
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    4.5981    0.6907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5443    0.9954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.3093    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1279    0.1907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.1907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1279    0.1907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.8093    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6279   -0.6753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1 13  1  0  0  0  0
  2  7  1  0  0  0  0
  2  8  1  0  0  0  0
  3 10  2  0  0  0  0
  4  6  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  2  0  0  0  0
  5  9  1  0  0  0  0
  6  8  2  0  0  0  0
  7 11  1  0  0  0  0
  8 10  1  0  0  0  0
  9 13  2  0  0  0  0
  9 20  1  0  0  0  0
 10 12  1  0  0  0  0
 11 14  2  0  0  0  0
 11 21  1  0  0  0  0
 12 15  2  0  0  0  0
 12 16  1  0  0  0  0
 13 14  1  0  0  0  0
 14 22  1  0  0  0  0
 15 17  1  0  0  0  0
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 16 18  2  0  0  0  0
 16 26  1  0  0  0  0
 17 19  2  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
 19 29  1  0  0  0  0
M  END

$$$$
D03LLM
  -OEChem-10191522422D

116115  0     1  0  0  0  0  0999 V2000
   17.5885   -2.1900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.1865   -1.6900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   18.4545   -3.6900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   10.6603   -2.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 44115  1  0  0  0  0
 44116  1  0  0  0  0
M  END

$$$$
D03LMH
  -OEChem-10101305022D

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 37 74  1  0  0  0  0
M  END

$$$$
D03LMM
  -OEChem-10101305022D

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 21  1  1  6  0  0  0
 16  2  1  6  0  0  0
 22  2  1  6  0  0  0
  3 21  1  0  0  0  0
  3 28  1  0  0  0  0
 17  4  1  1  0  0  0
  4 56  1  0  0  0  0
  5 22  1  0  0  0  0
  5 30  1  0  0  0  0
 24  6  1  6  0  0  0
  6 64  1  0  0  0  0
 26  7  1  1  0  0  0
  7 65  1  0  0  0  0
 27  8  1  1  0  0  0
  8 66  1  0  0  0  0
 29  9  1  6  0  0  0
  9 67  1  0  0  0  0
 31 10  1  6  0  0  0
 10 74  1  0  0  0  0
 18 11  1  1  0  0  0
 11 52  1  0  0  0  0
 11 53  1  0  0  0  0
 19 12  1  1  0  0  0
 12 54  1  0  0  0  0
 12 55  1  0  0  0  0
 23 13  1  1  0  0  0
 13 34  1  0  0  0  0
 13 61  1  0  0  0  0
 25 14  1  6  0  0  0
 14 62  1  0  0  0  0
 14 63  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 17  1  0  0  0  0
 16 19  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 20  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
 21 25  1  0  0  0  0
 21 42  1  0  0  0  0
 22 24  1  0  0  0  0
 22 43  1  0  0  0  0
 23 24  1  0  0  0  0
 23 26  1  0  0  0  0
 23 44  1  0  0  0  0
 24 45  1  0  0  0  0
 25 27  1  0  0  0  0
 25 46  1  0  0  0  0
 26 30  1  0  0  0  0
 26 32  1  0  0  0  0
 27 29  1  0  0  0  0
 27 47  1  0  0  0  0
 28 29  1  0  0  0  0
 28 31  1  0  0  0  0
 28 48  1  6  0  0  0
 29 49  1  0  0  0  0
 30 50  1  0  0  0  0
 30 51  1  0  0  0  0
 31 33  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 68  1  0  0  0  0
 33 69  1  0  0  0  0
 33 70  1  0  0  0  0
 34 71  1  0  0  0  0
 34 72  1  0  0  0  0
 34 73  1  0  0  0  0
M  END

$$$$
D03LMR
  -OEChem-10101305022D

 40 42  0     0  0  0  0  0  0999 V2000
    6.3301   -1.8100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.3100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.8100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    1.1900    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.9962   -0.3308    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
    7.1962    0.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8602   -0.8342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0901   -0.8447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9962    0.7108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0901    1.2247    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
   10.7282   -0.3375    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
    5.4641    0.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5923   -0.8408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7321    0.6625    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
   12.4602   -0.3442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6000    1.1592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4641    0.6558    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
    2.0000   -0.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4599   -1.3076    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2569   -1.3106    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0829   -1.4646    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5319    1.0229    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0829    1.8446    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    1.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9272    1.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5899   -1.4608    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1963    0.9746    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.9960   -0.6562    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.6024    1.7792    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.0022    0.9638    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4675   -1.2850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2646   -1.2850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100    0.2269    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -0.8469    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  2  0  0  0  0
  2 18  1  0  0  0  0
  2 22  1  0  0  0  0
  3 18  2  0  0  0  0
  4  7  1  0  0  0  0
  4 15  1  0  0  0  0
  4 29  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 12  1  0  0  0  0
  7 11  1  0  0  0  0
  8 13  1  0  0  0  0
  8 24  1  0  0  0  0
  8 25  1  0  0  0  0
  9 26  1  0  0  0  0
 10 11  2  0  0  0  0
 10 27  1  0  0  0  0
 11 28  1  0  0  0  0
 12 14  1  0  0  0  0
 13 16  2  0  0  0  0
 13 17  1  0  0  0  0
 14 15  2  0  0  0  0
 14 18  1  0  0  0  0
 15 30  1  0  0  0  0
 16 19  1  0  0  0  0
 16 31  1  0  0  0  0
 17 20  2  0  0  0  0
 17 32  1  0  0  0  0
 19 21  2  0  0  0  0
 19 33  1  0  0  0  0
 20 21  1  0  0  0  0
 20 34  1  0  0  0  0
 21 35  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
 23 38  1  0  0  0  0
 23 39  1  0  0  0  0
 23 40  1  0  0  0  0
M  END

$$$$
D03LNF
  -OEChem-10191522342D

 41 43  0     0  0  0  0  0  0999 V2000
    8.1301    0.9417    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.5858    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6268    1.8096    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6335    0.0737    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1378   -1.0583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.9142    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.5858    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2622    1.4383    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.9142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.4142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.0858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4920    1.4488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981    0.9350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4920   -0.6205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.0858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981   -0.1066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9981    0.4450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.4142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0019   -0.5550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8622    0.9483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8699   -1.0516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7301    0.4517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7340   -0.5483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1417   -2.0583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1306    1.8891    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3335    1.8891    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4848    2.0688    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.2058    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4848   -1.2404    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9338   -0.4187    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2598    2.0583    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100    1.9511    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    1.7242    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900    0.8772    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8598    1.5683    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8723   -1.6716    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2658    0.7637    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2721   -0.8562    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5217   -2.0607    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1441   -2.6783    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7617   -2.0559    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 17  1  0  0  0  0
  2 15  2  0  0  0  0
  5 19  1  0  0  0  0
  5 24  1  0  0  0  0
  6 10  1  0  0  0  0
  6 15  1  0  0  0  0
  6 18  1  0  0  0  0
  7 11  1  0  0  0  0
  7 15  1  0  0  0  0
  7 28  1  0  0  0  0
  8 13  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 12  1  0  0  0  0
 10 25  1  0  0  0  0
 10 26  1  0  0  0  0
 11 14  1  0  0  0  0
 12 13  2  0  0  0  0
 12 27  1  0  0  0  0
 13 16  1  0  0  0  0
 14 16  2  0  0  0  0
 14 29  1  0  0  0  0
 16 30  1  0  0  0  0
 17 19  1  0  0  0  0
 17 20  2  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
 19 21  2  0  0  0  0
 20 22  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 23  2  0  0  0  0
 22 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
M  END

$$$$
D03LNM
          03021000462D 1   1.00000     0.00000     0

 19 21  0     1  0            999 V2000
    7.1164   -4.3451    0.0000 O   0  0  0  0  0  0           0  0  0
    7.7340   -3.9867    0.0000 C   0  0  0  0  0  0           0  0  0
    8.3516   -4.3451    0.0000 C   0  0  2  0  0  0           0  0  0
    8.5792   -5.0251    0.0000 C   0  0  3  0  0  0           0  0  0
    8.9333   -3.9208    0.0000 O   0  0  0  0  0  0           0  0  0
    9.5068   -4.3451    0.0000 C   0  0  2  0  0  0           0  0  0
    9.2874   -5.0251    0.0000 C   0  0  1  0  0  0           0  0  0
    9.8584   -5.4412    0.0000 O   0  0  0  0  0  0           0  0  0
    9.5000   -3.6292    0.0000 H   0  0  0  0  0  0           0  0  0
    9.2833   -5.7333    0.0000 H   0  0  0  0  0  0           0  0  0
   10.2216   -4.3462    0.0000 N   0  0  3  0  0  0           0  0  0
   10.4342   -5.0252    0.0000 C   0  0  0  0  0  0           0  0  0
   11.1274   -5.1740    0.0000 N   0  0  0  0  0  0           0  0  0
   11.6087   -4.6507    0.0000 C   0  0  0  0  0  0           0  0  0
   11.3920   -3.9675    0.0000 C   0  0  0  0  0  0           0  0  0
   10.6939   -3.8202    0.0000 C   0  0  0  0  0  0           0  0  0
   12.3050   -4.7970    0.0000 O   0  0  0  0  0  0           0  0  0
   11.8682   -3.4431    0.0000 C   0  0  0  0  0  0           0  0  0
    8.1559   -5.5950    0.0000 O   0  0  0  0  0  0           0  0  0
  1  2  1  0     0  0
  3  2  1  1     0  0
  4  7  1  0     0  0
  6  5  1  0     0  0
  5  3  1  0     0  0
  3  4  1  0     0  0
  6  7  1  0     0  0
  7  8  1  0     0  0
  8 12  1  0     0  0
 11  6  1  0     0  0
  6  9  1  6     0  0
  7 10  1  6     0  0
 11 12  1  0     0  0
 11 16  1  0     0  0
 12 13  2  0     0  0
 13 14  1  0     0  0
 14 15  1  0     0  0
 15 16  2  0     0  0
 14 17  2  0     0  0
 15 18  1  0     0  0
  4 19  1  0     0  0
M  END

$$$$
D03LOG
  -OEChem-10111523212D

 52 51  0     0  0  0  0  0  0999 V2000
    2.5369   -2.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -3.7500    0.0000 O   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
    7.7331   -2.2500    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
    8.5991   -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
    9.4651   -2.2500    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
   11.1972    1.7500    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
   10.3312   -2.7500    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
   10.3312    3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1972   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1972   -1.2500    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
    3.4030   -2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0632   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651    3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4685   -3.2250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2656   -3.2250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1316   -1.7750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3346   -1.7750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3996   -1.7750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6025   -1.7750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2006   -3.2250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9976   -3.2250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7365   -3.2250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5335   -3.2250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8637   -1.7750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0666   -1.7750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6675   -1.7750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8705   -1.7750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8078    1.6423    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4092    2.3326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7206    2.3577    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1191    1.6674    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3312   -3.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5866    0.8577    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9851    0.1674    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9417    3.1423    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5432    3.8326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7341   -2.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9851   -0.6674    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5866   -1.3577    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
   12.6002   -1.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7751    4.2869    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    4.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1551    3.2131    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 18  1  0  0  0  0
  1 52  1  0  0  0  0
  2 18  2  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3 21  1  0  0  0  0
  3 22  1  0  0  0  0
  4  6  1  0  0  0  0
  4 23  1  0  0  0  0
  4 24  1  0  0  0  0
  5  7  1  0  0  0  0
  5 25  1  0  0  0  0
  5 26  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 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 18  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 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 37  1  0  0  0  0
 11 38  1  0  0  0  0
 12 15  2  0  0  0  0
 12 39  1  0  0  0  0
 13 17  1  0  0  0  0
 13 40  1  0  0  0  0
 13 41  1  0  0  0  0
 14 20  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
 16 19  1  0  0  0  0
 16 45  1  0  0  0  0
 16 46  1  0  0  0  0
 17 19  2  0  0  0  0
 17 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
 20 51  1  0  0  0  0
M  END

$$$$
D03LPH
  -OEChem-10101305022D

 25 27  0     0  0  0  0  0  0999 V2000
    4.5274    0.8518    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0547   -0.2724    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0274   -0.6871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3364    0.2640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7123   -1.4718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3518    0.4963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0274   -0.6871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7328   -1.2631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7183    0.2640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3424   -1.4718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7029    0.4963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3219   -1.2631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.2724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1824   -1.7936    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9387   -2.0490    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8742    0.8302    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1122    1.0681    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7513   -1.8828    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3466   -1.3510    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5274    1.4718    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6607   -0.1412    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5408   -2.0592    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5182    1.0881    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9088   -1.7254    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3940   -0.1412    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  1  9  1  0  0  0  0
  1 20  1  0  0  0  0
  2  6  1  0  0  0  0
  2  8  1  0  0  0  0
  2 21  1  0  0  0  0
  3  4  2  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 14  1  0  0  0  0
  5 15  1  0  0  0  0
  6 16  1  0  0  0  0
  6 17  1  0  0  0  0
  7  9  1  0  0  0  0
  7 10  2  0  0  0  0
  8 18  1  0  0  0  0
  8 19  1  0  0  0  0
  9 11  2  0  0  0  0
 10 12  1  0  0  0  0
 10 22  1  0  0  0  0
 11 13  1  0  0  0  0
 11 23  1  0  0  0  0
 12 13  2  0  0  0  0
 12 24  1  0  0  0  0
 13 25  1  0  0  0  0
M  END

$$$$
D03LRN
  -OEChem-10191521522D

 27 26  0     1  0  0  0  0  0999 V2000
    3.4030   -0.3170    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -0.8170    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    6.3671    0.5490    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -0.8170    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -0.3170    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.7331    0.1830    0.0000 C   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
    7.3671   -1.1830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991   -0.3170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    1.1830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -0.3170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331   -0.4370    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6025   -1.2919    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3996   -1.2919    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8301   -1.4930    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6771   -1.7200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9040   -0.8730    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2891   -0.8539    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1360   -0.6270    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3531    1.1830    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    1.8030    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1131    1.1830    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9091    0.2199    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5335    0.1580    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7365    0.1580    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7471    0.5490    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.5070    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  4  1  0  0  0  0
  2 27  1  0  0  0  0
  3  5  1  0  0  0  0
  3 26  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
  6  9  1  0  0  0  0
  6 10  1  0  0  0  0
  6 12  1  0  0  0  0
  7 11  1  0  0  0  0
  7 13  1  0  0  0  0
  7 14  1  0  0  0  0
  8 15  1  0  0  0  0
  8 16  1  0  0  0  0
  8 17  1  0  0  0  0
  9 18  1  0  0  0  0
  9 19  1  0  0  0  0
  9 23  1  0  0  0  0
 10 20  1  0  0  0  0
 10 21  1  0  0  0  0
 10 22  1  0  0  0  0
 11 24  1  0  0  0  0
 11 25  1  0  0  0  0
M  END

$$$$
D03LRQ
  -OEChem-10101305022D

 28 29  0     0  0  0  0  0  0999 V2000
    2.0000    0.1506    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6227    3.2846    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8038    1.5621    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8147    1.3530    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.1506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8366    1.1451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3147    0.4870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6456   -0.2562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2215    2.2666    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.3494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.3494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.8494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.8494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2160    2.3711    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.8494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.8494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.3494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3758    1.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9313    0.4222    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7745   -0.8626    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2647    2.8850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6199    2.4165    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -1.5394    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -1.5394    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -3.1594    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -3.1594    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.9694    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2393    3.3494    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  2  0  0  0  0
  2 14  1  0  0  0  0
  2 28  1  0  0  0  0
  3 14  2  0  0  0  0
  4  6  1  0  0  0  0
  4  7  1  0  0  0  0
  4  9  1  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 18  1  0  0  0  0
  7  8  2  0  0  0  0
  7 19  1  0  0  0  0
  8 20  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 11  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 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
 15 25  1  0  0  0  0
 16 17  1  0  0  0  0
 16 26  1  0  0  0  0
 17 27  1  0  0  0  0
M  END

$$$$
D03LRY
  -OEChem-10101305022D

 27 28  0     0  0  0  0  0  0999 V2000
    2.8660    2.0649    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2067   -1.4796    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.5649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3580    0.0303    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.5649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.0649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3465   -0.9697    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.0649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641    0.5441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3580    2.0996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.5649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641    1.5858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.5649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.5649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.5551    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7372   -0.8549    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1277   -1.5498    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.6849    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7998    0.2321    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3509    2.7196    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7998    1.8978    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951    0.2549    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1995   -2.0996    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7472   -1.1759    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900    2.1019    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    1.2549    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100    1.0280    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  7  1  0  0  0  0
  2 23  1  0  0  0  0
  2 24  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  2  0  0  0  0
  3  6  1  0  0  0  0
  4  7  1  0  0  0  0
  4  9  2  0  0  0  0
  5  8  1  0  0  0  0
  5 10  1  0  0  0  0
  6 13  2  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 11  2  0  0  0  0
  8 18  1  0  0  0  0
  9 12  1  0  0  0  0
  9 19  1  0  0  0  0
 10 12  2  0  0  0  0
 10 20  1  0  0  0  0
 11 13  1  0  0  0  0
 12 21  1  0  0  0  0
 13 22  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
M  END

$$$$
D03LSH
  -OEChem-10191522472D

 49 52  0     0  0  0  0  0  0999 V2000
    3.4632   -0.0544    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.0170   -0.2958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8169    4.2958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7490   -3.2958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8830    1.2042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3830    3.3948    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7490   -1.2958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6150   -1.7958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8830   -1.7958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6150   -2.7958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8830   -2.7958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7490   -0.2958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8830    0.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7490   -4.2958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9820    1.6381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7840    1.6381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7595    2.6130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0065    2.6130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2295    0.9179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5365    0.9179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3830    3.3948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7690    2.9354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9970    2.9353    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2318    1.2173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5342    1.2172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.2328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7660    2.2327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2121   -0.9858    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6709   -1.2132    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2724   -1.9035    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2256   -1.9035    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8271   -1.2132    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2724   -2.6881    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6709   -3.3784    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8271   -3.3784    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2256   -2.6881    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3596   -0.4035    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9611    0.2868    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1290   -4.2958    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7490   -4.9158    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3690   -4.2958    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3916    0.3151    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1140    3.9534    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6380    3.5414    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1280    3.5413    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7789    0.7938    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9871    0.7938    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4083    2.4178    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3578    2.4178    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 19  1  0  0  0  0
  2 13  2  0  0  0  0
  3 21  2  0  0  0  0
  4 10  1  0  0  0  0
  4 11  1  0  0  0  0
  4 14  1  0  0  0  0
  5 13  1  0  0  0  0
  5 15  1  0  0  0  0
  5 16  1  0  0  0  0
  6 17  1  0  0  0  0
  6 21  1  0  0  0  0
  6 43  1  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 28  1  0  0  0  0
  8 10  1  0  0  0  0
  8 31  1  0  0  0  0
  8 32  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 35  1  0  0  0  0
 10 36  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 37  1  0  0  0  0
 12 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 17  2  0  0  0  0
 15 19  1  0  0  0  0
 16 18  1  0  0  0  0
 16 20  2  0  0  0  0
 17 22  1  0  0  0  0
 18 21  1  0  0  0  0
 18 23  2  0  0  0  0
 19 24  2  0  0  0  0
 20 25  1  0  0  0  0
 20 42  1  0  0  0  0
 22 26  2  0  0  0  0
 22 44  1  0  0  0  0
 23 27  1  0  0  0  0
 23 45  1  0  0  0  0
 24 26  1  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 48  1  0  0  0  0
 27 49  1  0  0  0  0
M  END

$$$$
D03LVI
  -OEChem-10101305022D

 35 36  0     1  0  0  0  0  0999 V2000
    5.4641    1.7500    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.0981    0.3840    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.0981    2.1160    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    5.2500    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.2500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -5.2500    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.7320   -5.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -4.7500    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    3.7320    0.7500    0.0000 C   0  0  3  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
    2.8660   -1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.2500    0.0000 C   0  0  0  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
    2.8660   -3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.2500    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
    3.7320    2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.7500    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    4.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4682    0.3250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -0.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -1.9400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -1.9400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -3.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -3.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    2.4400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    2.4400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    4.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    4.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  1  0  0  0  0
  2 12  1  0  0  0  0
  3 12  1  0  0  0  0
  4 25  1  0  0  0  0
  5 11  1  0  0  0  0
  5 15  1  0  0  0  0
  6 14  2  0  0  0  0
  7 10  1  0  0  0  0
  8 10  2  0  0  0  0
  9 11  1  0  0  0  0
  9 14  1  0  0  0  0
  9 27  1  0  0  0  0
 10 18  1  0  0  0  0
 11 12  1  0  0  0  0
 11 26  1  0  0  0  0
 13 14  1  0  0  0  0
 13 16  2  0  0  0  0
 13 17  1  0  0  0  0
 15 21  2  0  0  0  0
 15 22  1  0  0  0  0
 16 19  1  0  0  0  0
 16 28  1  0  0  0  0
 17 20  2  0  0  0  0
 17 29  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 19 30  1  0  0  0  0
 20 31  1  0  0  0  0
 21 23  1  0  0  0  0
 21 32  1  0  0  0  0
 22 24  2  0  0  0  0
 22 33  1  0  0  0  0
 23 25  2  0  0  0  0
 23 34  1  0  0  0  0
 24 25  1  0  0  0  0
 24 35  1  0  0  0  0
M  CHG  2   7  -1  10   1
M  END

$$$$
D03LVL
  -OEChem-10191522112D

 84 90  0     0  0  0  0  0  0999 V2000
   11.4609    1.6591    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    5.3327    5.1350    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.3327    4.1350    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.3327    4.1350    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.0647   -1.8650    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6276   -3.4293    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5560   -1.1312    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.9307    1.6350    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.7968   -2.8650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7968   -2.8650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2968   -3.7311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2704   -2.6632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6628   -3.3650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9283   -1.7235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2551   -2.8368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5711   -0.9575    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8979   -2.0708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6428   -3.2556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9696   -4.3689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -4.0217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3268   -5.1350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9307   -1.3650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1987   -0.3650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3420   -4.9614    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5288   -2.8650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6628   -4.3650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9307   -0.3650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0647    0.1350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3948   -3.3650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5288   -4.8650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7968    0.1350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0647    1.1350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3948   -4.3650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7968    1.1350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1987    1.6350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6907   -0.3997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6907    1.6696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5968    0.1141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1987    2.6350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5968    1.1558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3327    1.1350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3327    3.1350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4666    1.6350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4666    2.6350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.6891   -2.2545    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.5065   -4.0589    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    1.6015   -3.5467    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -4.3317    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    3.8637   -5.4450    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1267    0.2508    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5972   -0.8400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7315   -5.0690    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   10.5288   -2.2450    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1259   -4.6750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9318   -3.0550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5288   -5.4850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9318   -4.6750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6835   -1.0197    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6835    2.2896    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1325   -0.1979    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7356    2.9450    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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M  END

$$$$
D03LVT
  -OEChem-10101305022D

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M  END

$$$$
D03LWV
  -OEChem-10101305022D

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 16 33  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
 18 20  1  0  0  0  0
 18 23  1  0  0  0  0
 18 37  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
 20 22  1  0  0  0  0
 20 42  1  0  0  0  0
 20 43  1  0  0  0  0
 21 24  1  0  0  0  0
 21 44  1  0  0  0  0
 21 45  1  0  0  0  0
 22 25  1  0  0  0  0
 22 46  1  0  0  0  0
 22 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
M  END

$$$$
D03LWY
  -OEChem-10101305022D

  5  4  0     0  0  0  0  0  0999 V2000
    2.8660    0.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.5000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.5000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.3660    0.8660    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3660   -0.8660    0.0000 O   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  5  2  0  0  0  0
M  CHG  2   2  -1   3  -1
M  END

$$$$
D03MDA
  -OEChem-10101305032D

 34 36  0     0  0  0  0  0  0999 V2000
    5.4641   -0.7500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    2.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.7500    0.0000 N   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
    2.8660   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -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
    4.5981    0.7500    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
    5.4641    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -0.7500    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
    8.0622   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282   -0.7500    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
    3.9441   -2.3326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3426   -1.6423    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2646    0.2249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4675    0.2249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4675   -2.7250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2646   -2.7250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7880   -0.1674    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3894   -0.8577    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0611    1.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    1.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6592   -2.0600    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
    8.0622   -2.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651   -0.4400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651   -2.0600    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
  2  7  1  0  0  0  0
  2  8  1  0  0  0  0
  3 12  2  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4  9  1  0  0  0  0
  5  7  1  0  0  0  0
  5 20  1  0  0  0  0
  5 21  1  0  0  0  0
  6  8  1  0  0  0  0
  6 22  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 10  2  0  0  0  0
 10 12  1  0  0  0  0
 10 28  1  0  0  0  0
 11 13  2  0  0  0  0
 11 14  1  0  0  0  0
 12 13  1  0  0  0  0
 13 29  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 30  1  0  0  0  0
 16 18  2  0  0  0  0
 16 31  1  0  0  0  0
 17 19  2  0  0  0  0
 17 32  1  0  0  0  0
 18 19  1  0  0  0  0
 18 33  1  0  0  0  0
 19 34  1  0  0  0  0
M  END

$$$$
D03MEI
  -OEChem-10121500472D

 47 50  0     1  0  0  0  0  0999 V2000
    3.7320    2.3034    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.8034    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5443   -0.5013    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1279    0.3034    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.6966    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    3.8034    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.7320    4.3034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    2.8034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    3.8034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.8034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    4.3034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.3034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.8034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.1966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5443    1.1081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8550   -1.4518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.1966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1871   -2.1962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8335   -1.6581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4978   -3.1467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4763   -3.3529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1441   -2.6086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2086   -1.9899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7870   -4.3034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    4.4234    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1306    4.7784    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3335    4.7784    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2554    2.9111    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6540    2.2208    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2087    3.6958    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8101    4.3860    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8101    2.2208    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2087    2.9111    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100    4.8403    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    4.6134    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900    3.7665    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7369    1.6975    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -0.5066    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2475   -1.1966    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0837   -3.6081    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7508   -2.7364    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3365   -1.3833    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6019   -1.8621    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0808   -2.5966    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1976   -4.4960    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9796   -4.8927    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3763   -4.1108    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
  1 12  1  0  0  0  0
  2 12  2  0  0  0  0
  2 17  1  0  0  0  0
  3  4  1  0  0  0  0
  3 14  1  0  0  0  0
  3 16  1  0  0  0  0
  4 15  2  0  0  0  0
  5 14  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 11  1  0  0  0  0
  6 25  1  0  0  0  0
  7  9  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 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 34  1  0  0  0  0
 11 35  1  0  0  0  0
 11 36  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 37  1  0  0  0  0
 16 18  2  0  0  0  0
 16 19  1  0  0  0  0
 17 38  1  0  0  0  0
 18 20  1  0  0  0  0
 18 23  1  0  0  0  0
 19 22  2  0  0  0  0
 19 39  1  0  0  0  0
 20 21  2  0  0  0  0
 20 40  1  0  0  0  0
 21 22  1  0  0  0  0
 21 24  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 45  1  0  0  0  0
 24 46  1  0  0  0  0
 24 47  1  0  0  0  0
M  END

$$$$
D03MHA
  -OEChem-10191522092D

 46 50  0     0  0  0  0  0  0999 V2000
    8.0436   -1.2920    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0320    1.7773    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1260    0.2218    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5797   -1.3320    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4832   -0.1422    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.7920   -0.2574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6580    0.2426    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9260    0.2426    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6580    1.2426    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7920    1.7426    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9260    1.2426    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0320   -0.2920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5680    1.7495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7759    2.7841    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5760    2.7911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6740    3.3119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1834   -1.8020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1260    1.2634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4515   -1.8220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3116   -1.3120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1950   -2.8019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4630   -2.8219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3348   -3.3119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6709   -1.7493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4637   -0.3388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9933   -1.0139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.1300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3934   -0.7323    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1905   -0.7323    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8701   -0.3400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2686    0.3503    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.1013    1.4333    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2354    3.0879    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5841   -1.5958    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.1142    3.0990    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6716    3.9319    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5902    1.5755    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3045   -0.6921    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7354   -3.1057    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9297   -3.1381    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3419   -3.9318    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5490   -2.3572    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9196    0.0814    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0719   -1.7458    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
  1 34  1  0  0  0  0
  2 11  1  0  0  0  0
  2 18  2  0  0  0  0
  3 12  2  0  0  0  0
  3 18  1  0  0  0  0
  4 19  1  0  0  0  0
  4 24  1  0  0  0  0
  4 25  1  0  0  0  0
  5 25  2  0  0  0  0
  5 26  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6 28  1  0  0  0  0
  6 29  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 11  2  0  0  0  0
  8 12  1  0  0  0  0
  9 10  1  0  0  0  0
  9 13  2  0  0  0  0
 10 11  1  0  0  0  0
 10 14  2  0  0  0  0
 13 15  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 16  2  0  0  0  0
 15 35  1  0  0  0  0
 16 36  1  0  0  0  0
 17 20  2  0  0  0  0
 17 21  1  0  0  0  0
 18 37  1  0  0  0  0
 19 20  1  0  0  0  0
 19 22  2  0  0  0  0
 20 38  1  0  0  0  0
 21 23  2  0  0  0  0
 21 39  1  0  0  0  0
 22 23  1  0  0  0  0
 22 40  1  0  0  0  0
 23 41  1  0  0  0  0
 24 26  2  0  0  0  0
 24 42  1  0  0  0  0
 25 43  1  0  0  0  0
 26 27  1  0  0  0  0
 27 44  1  0  0  0  0
 27 45  1  0  0  0  0
 27 46  1  0  0  0  0
M  END

$$$$
D03MJJ
  -OEChem-10101305032D

 35 36  0     0  0  0  0  0  0999 V2000
    4.5981    3.2327    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.2327    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    3.2327    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.7673    0.0000 N   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
    2.8660   -1.7673    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    1.2327    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
    2.0000   -3.2673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.2673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    2.7327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.7327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3580    1.1980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3580    3.2673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.7327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641    1.7118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641    2.7535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9441   -1.8499    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3426   -1.1597    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6540   -1.1847    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2554   -1.8750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5200    0.3153    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1215   -0.3750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4220   -3.8043    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -2.7304    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -3.5773    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   -3.8043    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -3.5773    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0420   -2.7304    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951    1.4227    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3509    0.5780    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3509    3.8873    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7998    1.3998    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7998    3.0656    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  7  1  0  0  0  0
  2  8  1  0  0  0  0
  3 16  2  0  0  0  0
  4  6  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 19  1  0  0  0  0
  5 20  1  0  0  0  0
  6 21  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  9  1  0  0  0  0
  8 13  2  0  0  0  0
  9 12  1  0  0  0  0
  9 14  2  0  0  0  0
 10 26  1  0  0  0  0
 10 27  1  0  0  0  0
 10 28  1  0  0  0  0
 11 25  1  0  0  0  0
 11 29  1  0  0  0  0
 11 30  1  0  0  0  0
 12 15  2  0  0  0  0
 13 16  1  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 18  1  0  0  0  0
 15 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
M  END

$$$$
D03MJM
  -OEChem-10101305032D

 22 22  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    2.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    2.5000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.4030    2.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    2.0000    0.0000 N   0  3  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
    3.4030   -0.5000    0.0000 C   0  0  0  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
    2.5369   -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
    2.5369   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -2.5000    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
    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   -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
    4.8059   -2.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -3.1200    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
  1  5  1  0  0  0  0
  6  1  1  6  0  0  0
  2  8  1  0  0  0  0
  2 22  1  0  0  0  0
  3  5  1  0  0  0  0
  4  5  2  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6 14  1  0  0  0  0
  7  9  2  0  0  0  0
  7 10  1  0  0  0  0
  8 15  1  0  0  0  0
  8 16  1  0  0  0  0
  9 11  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 13  2  0  0  0  0
 11 19  1  0  0  0  0
 12 13  1  0  0  0  0
 12 20  1  0  0  0  0
 13 21  1  0  0  0  0
M  CHG  2   3  -1   5   1
M  END

$$$$
D03MJQ
  -OEChem-04152122262D

 29 29  0     1  0  0  0  0  0999 V2000
    5.1350    1.8450    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    1.3450    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
    6.0010    0.3450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -1.6550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -1.6550    0.0000 O   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
    6.0010    2.3450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6350    2.7110    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6350    0.9790    0.0000 O   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  1  0  0  0  0  0  0  0  0  0
    5.1350   -0.1550    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.4030   -1.1550    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.1350   -1.1550    0.0000 C   0  0  2  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
    4.8059    0.6550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    0.4650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6720   -0.4650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -1.7750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -1.7750    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
    2.0000    0.0350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5380    0.0350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -2.2750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -2.2750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.9650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    2.9650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0150    2.7110    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  8  1  0  0  0  0
  1  9  1  0  0  0  0
  1 10  2  0  0  0  0
  2 11  1  0  0  0  0
 12  3  1  1  0  0  0
  3 23  1  0  0  0  0
 13  4  1  6  0  0  0
  4 24  1  0  0  0  0
 14  5  1  1  0  0  0
  5 25  1  0  0  0  0
 15  6  1  1  0  0  0
  6 26  1  0  0  0  0
  7 16  1  0  0  0  0
  7 27  1  0  0  0  0
  8 28  1  0  0  0  0
  9 29  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
 12 14  1  0  0  0  0
 12 18  1  0  0  0  0
 13 15  1  0  0  0  0
 13 19  1  0  0  0  0
 14 16  1  0  0  0  0
 14 20  1  0  0  0  0
 15 16  1  0  0  0  0
 15 21  1  0  0  0  0
 16 22  1  0  0  0  0
M  END

$$$$
D03MKT
  -OEChem-10101305032D

 29 31  0     0  0  0  0  0  0999 V2000
    2.0000   -2.0591    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.7905    1.3148    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1279   -1.0591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5443   -1.8638    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.5591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5443   -0.2544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.5591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.0591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8550    0.6961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.0591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.5591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.5591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8335    0.9024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5013    0.1581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1441    1.8529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4798    0.3643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1226    2.0591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5888   -1.4738    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5888   -0.6444    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2933   -2.4307    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0817   -2.1731    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.6791    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4409    1.1576    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.5609    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -0.2491    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3087   -0.4313    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7301    2.3144    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8939   -0.0972    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3152    2.6484    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  0  0  0  0
  2 16  2  0  0  0  0
  2 17  1  0  0  0  0
  3  4  1  0  0  0  0
  3  6  1  0  0  0  0
  3 18  1  0  0  0  0
  3 19  1  0  0  0  0
  4  5  1  0  0  0  0
  4 20  1  0  0  0  0
  4 21  1  0  0  0  0
  5  7  2  0  0  0  0
  5  8  1  0  0  0  0
  6  7  1  0  0  0  0
  6  9  2  0  0  0  0
  7 10  1  0  0  0  0
  8 11  2  0  0  0  0
  8 22  1  0  0  0  0
  9 13  1  0  0  0  0
  9 23  1  0  0  0  0
 10 12  2  0  0  0  0
 10 24  1  0  0  0  0
 11 12  1  0  0  0  0
 12 25  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 26  1  0  0  0  0
 15 17  2  0  0  0  0
 15 27  1  0  0  0  0
 16 28  1  0  0  0  0
 17 29  1  0  0  0  0
M  END

$$$$
D03MLC
  -OEChem-10101305032D

 35 37  0     0  0  0  0  0  0999 V2000
    6.3580    0.6126    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.4221    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.4221    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.5779    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3465   -2.4567    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7282    0.1121    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7205    2.1121    0.0000 O   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
    5.4641    0.0779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641    0.0987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.4221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3580   -1.4567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1282    0.6021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641   -0.9429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.5779    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
    3.7320    0.0779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9962    0.1054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1244    1.6021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8602    0.6088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9884    2.1054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8564    1.6087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.9221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7998   -1.2550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.1979    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9985   -0.5146    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5862    1.9100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9860    2.7254    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0611   -2.7321    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.1979    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   -0.3851    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -0.6121    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -1.4590    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7306   -0.5079    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7181    2.7321    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 16  1  0  0  0  0
  2 23  1  0  0  0  0
  3 11  1  0  0  0  0
  3 29  1  0  0  0  0
  4 17  1  0  0  0  0
  4 30  1  0  0  0  0
  5 12  2  0  0  0  0
  6 20  1  0  0  0  0
  6 34  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 12  1  0  0  0  0
  9 15  1  0  0  0  0
 10 13  1  0  0  0  0
 10 14  2  0  0  0  0
 11 16  2  0  0  0  0
 12 14  1  0  0  0  0
 13 18  2  0  0  0  0
 13 19  1  0  0  0  0
 14 24  1  0  0  0  0
 15 17  2  0  0  0  0
 15 25  1  0  0  0  0
 16 17  1  0  0  0  0
 18 20  1  0  0  0  0
 18 26  1  0  0  0  0
 19 21  2  0  0  0  0
 19 27  1  0  0  0  0
 20 22  2  0  0  0  0
 21 22  1  0  0  0  0
 21 28  1  0  0  0  0
 23 31  1  0  0  0  0
 23 32  1  0  0  0  0
 23 33  1  0  0  0  0
M  END

$$$$
D03MNO
  -OEChem-10101305022D

 48 50  0     1  0  0  0  0  0999 V2000
    6.3301   -2.8453    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.9101   -3.0580    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8301   -3.7113    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8301   -3.7113    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9101   -0.6326    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7320   -1.3453    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8948    3.2965    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0538    2.0093    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.1547    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    5.4641    0.6547    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    6.3301   -0.8453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2044   -1.3412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -2.3453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.3453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.1547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3596    1.6492    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.5506    0.2479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3814    1.8571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8814    0.9911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.8453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1027    2.3183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8765   -2.8012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.8453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.3453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4145   -3.1668    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9654   -2.9215    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8535   -2.2377    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2520   -2.9279    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9384    1.4270    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0490   -0.1165    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8606   -0.2890    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5730    2.4468    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8150    2.1093    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3798    1.3555    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4666    0.5303    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9966   -0.3704    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1996   -0.3704    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0358   -3.4004    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4757   -2.6420    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7173   -2.2020    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3556    3.7113    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -0.8084    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -1.6553    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   -1.8822    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 13  1  0  0  0  0
  1 17  1  0  0  0  0
 14  2  1  6  0  0  0
  2 26  1  0  0  0  0
  5 16  2  0  0  0  0
  6 19  2  0  0  0  0
  7 24  1  0  0  0  0
  7 27  1  0  0  0  0
  8 25  1  0  0  0  0
  8 45  1  0  0  0  0
  9 25  2  0  0  0  0
 10 27  2  0  0  0  0
 11 13  1  0  0  0  0
 11 15  1  0  0  0  0
 11 16  1  0  0  0  0
 12 19  1  0  0  0  0
 12 20  1  0  0  0  0
 12 21  1  0  0  0  0
 13 14  1  0  0  0  0
 13 29  1  6  0  0  0
 14 16  1  0  0  0  0
 14 30  1  0  0  0  0
 15 18  2  0  0  0  0
 15 19  1  0  0  0  0
 17 18  1  0  0  0  0
 17 31  1  0  0  0  0
 17 32  1  0  0  0  0
 18 24  1  0  0  0  0
 20 22  1  0  0  0  0
 20 25  1  1  0  0  0
 20 33  1  0  0  0  0
 21 23  1  0  0  0  0
 21 34  1  0  0  0  0
 21 35  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
 23 38  1  0  0  0  0
 23 39  1  0  0  0  0
 24 40  1  0  0  0  0
 24 41  1  0  0  0  0
 26 42  1  0  0  0  0
 26 43  1  0  0  0  0
 26 44  1  0  0  0  0
 27 28  1  0  0  0  0
 28 46  1  0  0  0  0
 28 47  1  0  0  0  0
 28 48  1  0  0  0  0
M  END

$$$$
D03MOQ
  -OEChem-10101305022D

 45 47  0     0  0  0  0  0  0999 V2000
    2.8660   -5.2500    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.2500    0.0000 N   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
    5.4641    3.2500    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
    4.5981    1.7500    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
    6.3301    3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.7500    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
    7.1962    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    0.2500    0.0000 C   0  0  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    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    4.7500    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
    8.0622    0.7500    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
    2.8660   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.7500    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
    3.7320   -3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -4.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0611    2.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8101    0.1674    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2087    0.8577    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
    6.8671    3.4400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    2.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0611    3.4400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951    0.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    5.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -0.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0611    5.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991    2.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    5.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991    0.4400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -0.9400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -2.4400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -2.4400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -4.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -4.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 26  1  0  0  0  0
  2 20  2  0  0  0  0
  3  9  1  0  0  0  0
  3 20  1  0  0  0  0
  3 34  1  0  0  0  0
  4 20  1  0  0  0  0
  4 21  1  0  0  0  0
  4 41  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5  8  2  0  0  0  0
  6 10  2  0  0  0  0
  6 12  1  0  0  0  0
  7 11  2  0  0  0  0
  7 13  1  0  0  0  0
  8  9  1  0  0  0  0
  8 27  1  0  0  0  0
  9 28  1  0  0  0  0
  9 29  1  0  0  0  0
 10 15  1  0  0  0  0
 10 31  1  0  0  0  0
 11 14  1  0  0  0  0
 11 30  1  0  0  0  0
 12 17  2  0  0  0  0
 12 33  1  0  0  0  0
 13 16  2  0  0  0  0
 13 32  1  0  0  0  0
 14 19  2  0  0  0  0
 14 36  1  0  0  0  0
 15 18  2  0  0  0  0
 15 35  1  0  0  0  0
 16 19  1  0  0  0  0
 16 38  1  0  0  0  0
 17 18  1  0  0  0  0
 17 37  1  0  0  0  0
 18 39  1  0  0  0  0
 19 40  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 22 24  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 26  2  0  0  0  0
 24 44  1  0  0  0  0
 25 26  1  0  0  0  0
 25 45  1  0  0  0  0
M  END

$$$$
D03MQA
  -OEChem-10101305022D

 28 29  0     0  0  0  0  0  0999 V2000
    6.3301   -0.5670    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.4330    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.9330    0.0000 N   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
    7.6962   -2.9330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1962   -2.0670    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
    5.4641   -0.0670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.9330    0.0000 C   0  0  0  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
    4.5981    1.4330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.0670    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
    2.8660    1.4330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    2.9330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7578   -2.5054    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2212   -3.3315    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1711   -3.3315    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7788   -2.2790    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3038   -1.4564    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7196   -1.4593    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1181   -2.1496    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    1.2430    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.1870    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951   -0.3770    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7741    2.3961    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    3.2430    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1541    3.4700    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 15  1  0  0  0  0
  3 14  3  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4  7  1  0  0  0  0
  4 16  1  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 19  1  0  0  0  0
  6 20  1  0  0  0  0
  7 21  1  0  0  0  0
  7 22  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 23  1  0  0  0  0
 10 12  2  0  0  0  0
 10 24  1  0  0  0  0
 11 13  2  0  0  0  0
 12 13  1  0  0  0  0
 12 25  1  0  0  0  0
 13 14  1  0  0  0  0
 15 26  1  0  0  0  0
 15 27  1  0  0  0  0
 15 28  1  0  0  0  0
M  END

$$$$
D03MQI
  -OEChem-10101305022D

 38 40  0     0  0  0  0  0  0999 V2000
    2.0000   -0.2329    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.7671    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7224   -1.2704    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8506   -2.7671    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4920    1.8017    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.2671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981    0.2463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.2671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4920   -0.2676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2622   -0.2571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.2329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.7671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.2671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.2671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981    1.2879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1301    0.2396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2583   -1.2571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9942   -0.2638    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1224   -1.7604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9904   -1.2638    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8544   -1.7671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.2329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.7671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4848   -0.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.8529    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.3871    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9338    1.6000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1325    0.8596    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7202   -1.5650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5323    0.0442    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1200   -2.3804    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3800   -1.2329    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.8529    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6200   -1.2329    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6200    2.7671    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    3.3871    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3800    2.7671    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2581   -1.5825    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  1  0  0  0  0
  1 22  1  0  0  0  0
  2 14  1  0  0  0  0
  2 23  1  0  0  0  0
  3 21  1  0  0  0  0
  3 38  1  0  0  0  0
  4 21  2  0  0  0  0
  5  8  2  0  0  0  0
  5 15  1  0  0  0  0
  6  8  1  0  0  0  0
  6  9  2  0  0  0  0
  6 11  1  0  0  0  0
  7  9  1  0  0  0  0
  7 10  1  0  0  0  0
  7 15  2  0  0  0  0
  8 12  1  0  0  0  0
  9 24  1  0  0  0  0
 10 16  2  0  0  0  0
 10 17  1  0  0  0  0
 11 13  2  0  0  0  0
 11 25  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
 15 27  1  0  0  0  0
 16 18  1  0  0  0  0
 16 28  1  0  0  0  0
 17 19  2  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
 20 21  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
 23 35  1  0  0  0  0
 23 36  1  0  0  0  0
 23 37  1  0  0  0  0
M  END

$$$$
D03MUW
  -OEChem-10101305022D

 19 18  0     1  0  0  0  0  0999 V2000
    3.4030   -0.4720    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.0280    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    1.0280    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    0.0280    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -0.9720    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9030    0.3940    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9030   -1.3380    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    0.0280    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.1350   -0.4720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -0.4720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5380    0.3380    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7365   -0.9469    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5335   -0.9469    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4685   -0.9469    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2656   -0.9469    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5380    1.3380    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2700   -0.2820    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.6620    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2130    0.9310    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  9  1  0  0  0  0
  8  3  1  1  0  0  0
  3 16  1  0  0  0  0
  4 10  1  0  0  0  0
  4 17  1  0  0  0  0
  5 18  1  0  0  0  0
  6 19  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 13  1  0  0  0  0
 10 14  1  0  0  0  0
 10 15  1  0  0  0  0
M  END

$$$$
D03MUZ
  -OEChem-10101305022D

 42 45  0     0  0  0  0  0  0999 V2000
    7.2125    3.0173    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.0173    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.0173    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.9942   -0.0414    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.0173    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.9827    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.6414    0.3551    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.8043   -1.2547    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.5173    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.4827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.0173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1301    0.4619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    1.4827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2241   -0.0520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8622    0.4552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1301    1.5035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2241    2.0174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.4827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7263   -0.0481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.5173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.4827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.0173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.5173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8270   -1.0430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3076   -0.3906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.5173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.0173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.0173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.5173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2169   -0.6719    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2625    0.9286    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4655    0.9317    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9918   -0.6614    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6659    1.8156    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -1.3273    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0611    1.7927    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7726    0.9610    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.3973    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
   10.3646   -1.4561    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.9245   -0.3282    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.6373    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 17  1  0  0  0  0
  2 26  1  0  0  0  0
  3 29  1  0  0  0  0
  4 12  1  0  0  0  0
  4 15  1  0  0  0  0
  4 33  1  0  0  0  0
  5 11  1  0  0  0  0
  5 20  1  0  0  0  0
  5 35  1  0  0  0  0
  6 13  2  0  0  0  0
  6 21  1  0  0  0  0
  7 19  1  0  0  0  0
  7 25  1  0  0  0  0
  7 37  1  0  0  0  0
  8 24  1  0  0  0  0
  8 25  2  0  0  0  0
  9 28  3  0  0  0  0
 10 11  2  0  0  0  0
 10 13  1  0  0  0  0
 10 14  1  0  0  0  0
 11 18  1  0  0  0  0
 12 14  2  0  0  0  0
 12 16  1  0  0  0  0
 13 17  1  0  0  0  0
 14 30  1  0  0  0  0
 15 19  1  0  0  0  0
 15 31  1  0  0  0  0
 15 32  1  0  0  0  0
 16 17  2  0  0  0  0
 16 34  1  0  0  0  0
 18 21  2  0  0  0  0
 18 28  1  0  0  0  0
 19 24  2  0  0  0  0
 20 22  2  0  0  0  0
 20 23  1  0  0  0  0
 21 36  1  0  0  0  0
 22 26  1  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
 24 40  1  0  0  0  0
 25 41  1  0  0  0  0
 26 29  2  0  0  0  0
 27 29  1  0  0  0  0
 27 42  1  0  0  0  0
M  END

$$$$
D03MVY
  -OEChem-10101305022D

 31 33  0     0  0  0  0  0  0999 V2000
    2.6691   -0.3964    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.1270   -1.7944    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.7268    1.9223    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1808   -0.4897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1270   -0.1850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1808   -1.4897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4376    0.7656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7106   -0.9897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3147    0.0103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4487   -0.4897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3147   -1.9897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4161    0.9718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4487   -1.4897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5827    0.0103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4782    1.0048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5000    1.2127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.3467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4171    1.3852    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8238    0.8529    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3147    0.6303    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3306   -0.9897    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3196   -2.3838    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3147   -2.6097    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4367    0.3521    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0300    0.8844    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9118   -1.7997    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9389    1.4197    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3335    2.0502    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3127    2.3838    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2478    1.7791    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3834    0.2819    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 14  1  0  0  0  0
  1 17  1  0  0  0  0
  2  6  1  0  0  0  0
  2  8  1  0  0  0  0
  2 22  1  0  0  0  0
  3 12  1  0  0  0  0
  3 28  1  0  0  0  0
  3 29  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  2  0  0  0  0
  4  9  1  0  0  0  0
  5  7  1  0  0  0  0
  5  8  2  0  0  0  0
  6 11  1  0  0  0  0
  7 12  1  0  0  0  0
  7 18  1  0  0  0  0
  7 19  1  0  0  0  0
  8 21  1  0  0  0  0
  9 10  2  0  0  0  0
  9 20  1  0  0  0  0
 10 13  1  0  0  0  0
 10 14  1  0  0  0  0
 11 13  2  0  0  0  0
 11 23  1  0  0  0  0
 12 24  1  0  0  0  0
 12 25  1  0  0  0  0
 13 26  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 15 27  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
M  END

$$$$
D03MXZ
  -OEChem-10101305032D

  1  0  0     0  0  0  0  0  0999 V2000
    2.0000    0.0000    0.0000 Na  0  4  0  0  0  0  0  0  0  0  0  0
M  RAD  1   1   2
M  END

$$$$
D03MYL
  -OEChem-10101305032D

 76 75  0     1  0  0  0  0  0999 V2000
   19.3205    0.0000    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
   14.9904   -0.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.1244    1.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.7224   -1.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.4545   -0.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.1865    0.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.8205    0.8660    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.8205   -0.8660    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.6506    0.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.7846   -1.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.9186    1.5000    0.0000 N   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
    8.0622   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    0.0000    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
    6.3301   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5263   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3923    0.0000    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
   13.2583   -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
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   15.8564    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7224   -0.5000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   17.5885    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.0526    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.9186    0.5000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   22.7846    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3267    0.4749    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    7.6636   -0.9749    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   11.0588    0.4749    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   11.1278   -0.9749    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9248   -0.9749    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.9966   -0.9749    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.8598   -0.9749    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.6569   -0.9749    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1306    0.4749    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3335    0.4749    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.3882    0.4250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4675   -0.9749    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2646   -0.9749    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.2549    0.4749    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.4579    0.4749    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100    0.5369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   16.1855   -0.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   17.9870    0.4749    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   22.4555    0.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.1305    1.4030    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   24.1876    0.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1  6  1  0  0  0  0
  1  7  1  0  0  0  0
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  2 24  1  0  0  0  0
  2 27  1  0  0  0  0
  3 24  1  0  0  0  0
  3 66  1  0  0  0  0
 28  4  1  6  0  0  0
  4 69  1  0  0  0  0
  5 29  1  0  0  0  0
  6 30  1  0  0  0  0
  7 73  1  0  0  0  0
  9 32  1  0  0  0  0
  9 76  1  0  0  0  0
 10 32  2  0  0  0  0
 31 11  1  6  0  0  0
 11 74  1  0  0  0  0
 11 75  1  0  0  0  0
 12 13  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 16  1  0  0  0  0
 14 37  1  0  0  0  0
 14 38  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  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 43  1  0  0  0  0
 17 44  1  0  0  0  0
 18 20  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 47  1  0  0  0  0
 19 48  1  0  0  0  0
 20 22  1  0  0  0  0
 20 49  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
 21 52  1  0  0  0  0
 22 24  1  0  0  0  0
 22 53  1  0  0  0  0
 22 54  1  0  0  0  0
 23 25  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
 25 26  1  0  0  0  0
 25 58  1  0  0  0  0
 25 59  1  0  0  0  0
 26 62  1  0  0  0  0
 26 63  1  0  0  0  0
 26 64  1  0  0  0  0
 27 28  1  0  0  0  0
 27 60  1  0  0  0  0
 27 61  1  0  0  0  0
 28 29  1  0  0  0  0
 28 65  1  0  0  0  0
 29 67  1  0  0  0  0
 29 68  1  0  0  0  0
 30 31  1  0  0  0  0
 30 70  1  0  0  0  0
 30 71  1  0  0  0  0
 31 32  1  0  0  0  0
 31 72  1  0  0  0  0
M  END

$$$$
D03MYV
  -OEChem-10101305022D

 43 45  0     1  0  0  0  0  0999 V2000
    4.5981    0.9400    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.9400    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -1.0600    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.0600    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.7320    1.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.4400    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
    3.7320    2.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    2.4400    0.0000 C   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
    5.4641   -1.5600    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
    3.7320   -1.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -2.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.0600    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
    2.8660   -2.0600    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
    6.3301   -3.0600    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
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    7.1962   -1.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    0.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1215    1.5477    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    5.6762    3.0226    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    3.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    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
    4.0611   -1.7500    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
    2.8660   -2.6800    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
    6.8671   -3.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0611   -3.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -4.1800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
  1  6  1  0  0  0  0
  2  8  1  0  0  0  0
  2  9  1  0  0  0  0
  2 34  1  0  0  0  0
  3 22  3  0  0  0  0
  4  7  1  0  0  0  0
  4 10  1  0  0  0  0
  4 23  1  0  0  0  0
  5  8  1  0  0  0  0
  5 24  1  0  0  0  0
  5 25  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 11  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 12  2  0  0  0  0
 10 13  1  0  0  0  0
 11 14  1  0  0  0  0
 11 15  2  0  0  0  0
 12 16  1  0  0  0  0
 12 35  1  0  0  0  0
 13 17  2  0  0  0  0
 13 36  1  0  0  0  0
 14 19  2  0  0  0  0
 14 22  1  0  0  0  0
 15 20  1  0  0  0  0
 15 37  1  0  0  0  0
 16 18  2  0  0  0  0
 16 38  1  0  0  0  0
 17 18  1  0  0  0  0
 17 39  1  0  0  0  0
 18 40  1  0  0  0  0
 19 21  1  0  0  0  0
 19 41  1  0  0  0  0
 20 21  2  0  0  0  0
 20 42  1  0  0  0  0
 21 43  1  0  0  0  0
M  END

$$$$
D03MYY
  -OEChem-10191522182D

 17 16  0     1  0  0  0  0  0999 V2000
    6.8671   -0.0950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    1.4050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -1.0950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -1.0950    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    0.4050    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -0.0950    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.2690    0.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    0.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -0.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6720   -0.4050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6675    0.8799    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8705    0.8799    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.4050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6720   -1.4050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.0950    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    1.0250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4040    0.2150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
  1 17  1  0  0  0  0
  2  8  2  0  0  0  0
  3  9  2  0  0  0  0
  6  4  1  1  0  0  0
  4 13  1  0  0  0  0
  4 14  1  0  0  0  0
  5  9  1  0  0  0  0
  5 15  1  0  0  0  0
  5 16  1  0  0  0  0
  6  7  1  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
  7 11  1  0  0  0  0
  7 12  1  0  0  0  0
M  END

$$$$
D03NBX
  -OEChem-10101305032D

 41 42  0     0  0  0  0  0  0999 V2000
    6.3301    0.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -4.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.5981   -5.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.3301    1.2500    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
    6.3301    3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7320   -3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0000   -4.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4082    1.1674    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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M  END

$$$$
D03NCB
  -OEChem-04152109472D

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M  END

$$$$
D03NCF
  -OEChem-10101305022D

 76 79  0     1  0  0  0  0  0999 V2000
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 38 75  1  0  0  0  0
M  END

$$$$
D03NCK
  -OEChem-10101305032D

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 41 73  1  0  0  0  0
M  END

$$$$
D03NDD
  -OEChem-04152109422D

 48 50  0     1  0  0  0  0  0999 V2000
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 21 45  1  0  0  0  0
 21 46  1  0  0  0  0
M  END

$$$$
D03NEF
  -OEChem-10101305032D

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 22  2  1  6  0  0  0
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 44 75  1  0  0  0  0
M  END

$$$$
D03NFW
  -OEChem-10191521542D

 50 53  0     0  0  0  0  0  0999 V2000
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   11.5497   -1.0742    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5454   -1.7246    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.0922   -2.3483    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.4912    0.0114    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.6816    0.1918    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6731   -0.5366    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.3084   -3.3582    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.9608   -0.5712    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.7545   -1.9834    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.9283   -3.3769    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651    0.1818    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   12.6669    2.6346    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    0.1818    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2656    1.7767    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0000    1.1118    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 25  1  0  0  0  0
  1 26  1  0  0  0  0
  2 27  1  0  0  0  0
  2 50  1  0  0  0  0
  3  8  1  0  0  0  0
  3 15  1  0  0  0  0
  3 33  1  0  0  0  0
  4 15  2  0  0  0  0
  4 22  1  0  0  0  0
  5 19  1  0  0  0  0
  5 22  2  0  0  0  0
  6 21  1  0  0  0  0
  6 24  1  0  0  0  0
  6 41  1  0  0  0  0
  7 21  2  0  0  0  0
  7 23  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 31  1  0  0  0  0
  9 32  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 14  2  0  0  0  0
 12 13  2  0  0  0  0
 13 16  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
 15 18  1  0  0  0  0
 16 17  2  0  0  0  0
 16 37  1  0  0  0  0
 17 36  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  2  0  0  0  0
 19 23  2  0  0  0  0
 20 21  1  0  0  0  0
 20 38  1  0  0  0  0
 22 40  1  0  0  0  0
 23 39  1  0  0  0  0
 24 25  1  0  0  0  0
 24 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
 26 27  1  0  0  0  0
 26 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
M  END

$$$$
D03NIO
  -OEChem-10101305022D

 21 22  0     0  0  0  0  0  0999 V2000
    3.4945    2.1012    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.6636    0.4920    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0413   -2.1012    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.9073   -0.6012    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9945    1.2352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5772    0.8988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4727    1.8933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.1307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1753   -0.6012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4432    0.3988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1753   -1.6012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0413   -0.1012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3092   -0.1012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9073   -1.6012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9352    1.7473    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3834    1.0659    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0648    0.5141    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9334    2.3082    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6383   -1.9112    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    9.4443   -1.9112    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
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3 11  2  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  8  1  0  0  0  0
  6  7  2  0  0  0  0
  6 10  1  0  0  0  0
  7 18  1  0  0  0  0
  8 15  1  0  0  0  0
  8 16  1  0  0  0  0
  8 17  1  0  0  0  0
  9 11  1  0  0  0  0
  9 12  2  0  0  0  0
  9 13  1  0  0  0  0
 10 13  3  0  0  0  0
 11 19  1  0  0  0  0
 12 20  1  0  0  0  0
 14 21  1  0  0  0  0
M  END

$$$$
D03NKE
  -OEChem-10101305022D

 30 32  0     0  0  0  0  0  0999 V2000
    2.0000   -2.3530    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    7.4692   -1.0563    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5443   -2.1577    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4423    0.4366    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2418    1.5213    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.9065    2.1571    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.8530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5443   -0.5483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.8530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8550    0.4023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1279   -1.3530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8335    0.6085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.3530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7320   -2.3530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2361    1.4151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.8530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.3552    0.0282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.3291   -0.5430    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    9.6083    0.5942    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7160    2.7470    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5128    2.0271    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 18  1  0  0  0  0
  2 14  2  0  0  0  0
  3  9  1  0  0  0  0
  3 11  1  0  0  0  0
  3 22  1  0  0  0  0
  4 14  1  0  0  0  0
  4 16  1  0  0  0  0
  4 19  1  0  0  0  0
  5 12  1  0  0  0  0
  5 16  2  0  0  0  0
  6 16  1  0  0  0  0
  6 29  1  0  0  0  0
  6 30  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  2  0  0  0  0
  7 13  1  0  0  0  0
  8 10  1  0  0  0  0
  8 11  2  0  0  0  0
  9 15  1  0  0  0  0
 10 12  2  0  0  0  0
 10 20  1  0  0  0  0
 11 21  1  0  0  0  0
 12 14  1  0  0  0  0
 13 17  2  0  0  0  0
 13 23  1  0  0  0  0
 15 18  2  0  0  0  0
 15 24  1  0  0  0  0
 17 18  1  0  0  0  0
 17 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
M  END

$$$$
D03NLE
  -OEChem-10101305032D

 67 68  0     1  0  0  0  0  0999 V2000
    6.1808    1.4400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5000    1.1424    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.9750   -0.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1090   -0.5600    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   14.8410   -0.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2429   -0.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1090   -1.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8410   -1.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4750    0.8060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4750    0.8060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9750   -2.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3769   -0.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2429   -2.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5109   -0.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.6415    0.4149    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8444    0.4149    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.0531   -2.1426    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   14.0119    1.1160    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.1650    1.3430    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   10.5109    1.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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 10 35  1  0  0  0  0
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 13 46  1  0  0  0  0
 14 16  2  0  0  0  0
 14 19  1  0  0  0  0
 15 17  1  0  0  0  0
 15 20  1  0  0  0  0
 15 22  1  0  0  0  0
 15 47  1  0  0  0  0
 16 18  1  0  0  0  0
 16 48  1  0  0  0  0
 17 18  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 55  1  0  0  0  0
 19 56  1  0  0  0  0
 19 57  1  0  0  0  0
 20 21  1  0  0  0  0
 20 53  1  0  0  0  0
 20 54  1  0  0  0  0
 21 23  1  0  0  0  0
 21 58  1  0  0  0  0
 21 59  1  0  0  0  0
 22 60  1  0  0  0  0
 22 61  1  0  0  0  0
 23 24  1  0  0  0  0
 23 62  1  0  0  0  0
 23 63  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 65  1  0  0  0  0
 26 66  1  0  0  0  0
 27 67  1  0  0  0  0
M  END

$$$$
D03NLJ
  -OEChem-04152111192D

 80 79  0     0  0  0  0  0  0999 V2000
    0.0000    8.9704    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.0455    8.9704    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   10.0658    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   17.0861    8.9704    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   11.8972   13.8388    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.2511    7.1565    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.1709   12.2501    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.9149    8.6811    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.6408   16.8321    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.4844    4.1767    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.1389   10.6880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0049   10.1880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1228   11.7295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0049    9.1880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0209   12.2572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1389    8.6880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0292   13.3422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1228    7.6465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2729   10.1880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9149   10.6948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9229   11.7364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2729    9.1880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9010   14.8388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2395    6.1566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7690   15.3355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3678    5.6666    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0896   13.8847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0209    7.1187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1542   13.3350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9229    7.6395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7728   16.3355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3562    4.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2824   13.8249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7909    7.1429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6446   17.8321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5049   16.3288    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4729    3.1768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6243    4.6867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7359   10.4980    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.4482   10.3786    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.4611   12.0443    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7359    8.8780    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.6912   15.4223    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2900   14.7335    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4448    5.5716    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8513    6.2572    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.4329   13.5268    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7178    7.4727    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.9788   14.7521    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.3800   15.4408    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1625    6.2516    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7560    5.5660    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0872   14.5047    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0185    6.4987    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.5630   16.9189    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.1618   16.2302    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5615    4.0817    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9680    4.7673    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5862   14.3654    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7419   14.1287    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9786   13.2844    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.4830    6.6047    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.3290    6.8349    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.0988    7.6810    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.2646   17.8298    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.6470   18.4521    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.0246   17.8345    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.1928   15.7931    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.0406   16.0167    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.8169   16.8646    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8529    3.1840    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4657    2.5568    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0928    3.1696    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9404    5.2200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0910    5.0029    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3081    4.1534    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0000    8.9704    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0455    8.9704    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0658    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.0861    8.9704    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 77  1  0  0  0  0
  2 78  1  0  0  0  0
  3 79  1  0  0  0  0
  4 80  1  0  0  0  0
  5 17  1  0  0  0  0
  5 23  1  0  0  0  0
  5 47  1  0  0  0  0
  6 18  1  0  0  0  0
  6 24  1  0  0  0  0
  6 48  1  0  0  0  0
  7 13  2  0  0  0  0
  7 29  1  0  0  0  0
  8 14  2  0  0  0  0
  8 30  1  0  0  0  0
  9 31  1  0  0  0  0
  9 35  1  0  0  0  0
  9 36  1  0  0  0  0
 10 32  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
 11 19  1  0  0  0  0
 12 14  1  0  0  0  0
 12 20  1  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 21  1  0  0  0  0
 16 18  2  0  0  0  0
 16 22  1  0  0  0  0
 17 27  1  0  0  0  0
 18 28  1  0  0  0  0
 19 22  2  0  0  0  0
 19 39  1  0  0  0  0
 20 21  2  0  0  0  0
 20 40  1  0  0  0  0
 21 41  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
 23 44  1  0  0  0  0
 24 26  1  0  0  0  0
 24 45  1  0  0  0  0
 24 46  1  0  0  0  0
 25 31  1  0  0  0  0
 25 49  1  0  0  0  0
 25 50  1  0  0  0  0
 26 32  1  0  0  0  0
 26 51  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 33  1  0  0  0  0
 30 34  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
 33 59  1  0  0  0  0
 33 60  1  0  0  0  0
 33 61  1  0  0  0  0
 34 62  1  0  0  0  0
 34 63  1  0  0  0  0
 34 64  1  0  0  0  0
 35 65  1  0  0  0  0
 35 66  1  0  0  0  0
 35 67  1  0  0  0  0
 36 68  1  0  0  0  0
 36 69  1  0  0  0  0
 36 70  1  0  0  0  0
 37 71  1  0  0  0  0
 37 72  1  0  0  0  0
 37 73  1  0  0  0  0
 38 74  1  0  0  0  0
 38 75  1  0  0  0  0
 38 76  1  0  0  0  0
M  END

$$$$
D03NLL
  -OEChem-10101305022D

 30 30  0     1  0  0  0  0  0999 V2000
    3.7320    0.1900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    2.1900    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.6900    0.0000 C   0  0  1  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
    3.7320   -0.8100    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    2.1900    0.0000 C   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
    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   -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
    4.5981    2.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8101    0.1074    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2087    0.7977    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0420    2.7269    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951    2.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4220    1.6531    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -2.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -2.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    2.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    1.8800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.4300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   -0.2731    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -0.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -1.3469    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7741   -1.3469    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -0.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1541   -0.2731    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
  3  2  1  1  0  0  0
  2 22  1  0  0  0  0
  2 23  1  0  0  0  0
  3  4  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  6  2  0  0  0  0
  5  7  1  0  0  0  0
  6  9  1  0  0  0  0
  6 12  1  0  0  0  0
  7 10  2  0  0  0  0
  7 13  1  0  0  0  0
  8 17  1  0  0  0  0
  8 18  1  0  0  0  0
  8 19  1  0  0  0  0
  9 11  2  0  0  0  0
  9 20  1  0  0  0  0
 10 11  1  0  0  0  0
 10 21  1  0  0  0  0
 11 24  1  0  0  0  0
 12 25  1  0  0  0  0
 12 26  1  0  0  0  0
 12 27  1  0  0  0  0
 13 28  1  0  0  0  0
 13 29  1  0  0  0  0
 13 30  1  0  0  0  0
M  END

$$$$
D03NMB
  -OEChem-10101305022D

 26 26  0     0  0  0  0  0  0999 V2000
    2.8660   -3.5000    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    2.5000    0.0000 Se  0  4  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
    3.7320    1.0000    0.0000 N   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
    2.8660    0.5000    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   -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
    3.7320   -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
    4.5981    3.5000    0.0000 C   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
    2.6540    1.0826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2554    0.3923    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   -0.6900    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
    4.2690   -2.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1541    1.4631    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
    4.5981    4.1200    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
    6.0010    1.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7741    2.5369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  1  0  0  0  0
  2  9  1  0  0  0  0
  3  9  1  0  0  0  0
  3 13  1  0  0  0  0
  3 14  1  0  0  0  0
  4  6  1  0  0  0  0
  4  9  2  0  0  0  0
  5  6  1  0  0  0  0
  5  7  2  0  0  0  0
  5  8  1  0  0  0  0
  6 15  1  0  0  0  0
  6 16  1  0  0  0  0
  7 10  1  0  0  0  0
  7 17  1  0  0  0  0
  8 11  2  0  0  0  0
  8 18  1  0  0  0  0
 10 12  2  0  0  0  0
 10 19  1  0  0  0  0
 11 12  1  0  0  0  0
 11 20  1  0  0  0  0
 13 22  1  0  0  0  0
 13 23  1  0  0  0  0
 13 24  1  0  0  0  0
 14 21  1  0  0  0  0
 14 25  1  0  0  0  0
 14 26  1  0  0  0  0
M  RAD  1   2   2
M  END

$$$$
D03NMM
          08121000342D 1   1.00000     0.00000     0

 46 49  0     0  0            999 V2000
    6.3083   -5.1375    0.0000 C   0  0  0  0  0  0           0  0  0
    6.3167   -4.4250    0.0000 C   0  0  3  0  0  0           0  0  0
    5.7011   -4.7797    0.0000 C   0  0  0  0  0  0           0  0  0
    5.0708   -1.5542    0.0000 C   0  0  0  0  0  0           0  0  0
    5.4292   -2.1708    0.0000 C   0  0  3  0  0  0           0  0  0
    5.7840   -1.5522    0.0000 C   0  0  0  0  0  0           0  0  0
    2.9277   -3.4708    0.0000 C   0  0  0  0  0  0           0  0  0
    2.9266   -4.1857    0.0000 C   0  0  0  0  0  0           0  0  0
    3.5456   -4.5444    0.0000 C   0  0  0  0  0  0           0  0  0
    3.5438   -3.1164    0.0000 C   0  0  0  0  0  0           0  0  0
    4.1550   -3.4672    0.0000 C   0  0  0  0  0  0           0  0  0
    4.1595   -4.1775    0.0000 C   0  0  0  0  0  0           0  0  0
    4.8365   -4.3969    0.0000 N   0  0  3  0  0  0           0  0  0
    5.2546   -3.8195    0.0000 C   0  0  0  0  0  0           0  0  0
    4.8292   -3.2475    0.0000 C   0  0  0  0  0  0           0  0  0
    4.8250   -2.5375    0.0000 S   0  0  0  0  0  0           0  0  0
    6.0518   -2.5190    0.0000 C   0  0  0  0  0  0           0  0  0
    2.3185   -3.1166    0.0000 O   0  0  0  0  0  0           0  0  0
    1.7009   -3.4707    0.0000 C   0  0  0  0  0  0           0  0  0
    1.0916   -3.1165    0.0000 C   0  0  0  0  0  0           0  0  0
    1.0940   -2.4148    0.0000 C   0  0  0  0  0  0           0  0  0
    0.4772   -2.0606    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.1330   -2.4148    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.1307   -3.1268    0.0000 C   0  0  0  0  0  0           0  0  0
    0.4783   -3.4777    0.0000 N   0  0  0  0  0  0           0  0  0
   -0.7510   -2.0614    0.0000 C   0  0  0  0  0  0           0  0  0
    4.8292   -5.1042    0.0000 C   0  0  0  0  0  0           0  0  0
    4.2121   -5.4561    0.0000 C   0  0  0  0  0  0           0  0  0
    3.6040   -5.0942    0.0000 C   0  0  0  0  0  0           0  0  0
    2.9874   -5.4372    0.0000 C   0  0  0  0  0  0           0  0  0
    2.9796   -6.1504    0.0000 C   0  0  0  0  0  0           0  0  0
    3.5936   -6.5109    0.0000 C   0  0  0  0  0  0           0  0  0
    4.2078   -6.1616    0.0000 C   0  0  0  0  0  0           0  0  0
    2.3662   -6.4948    0.0000 C   0  0  0  0  0  0           0  0  0
    1.7558   -6.1336    0.0000 N   0  0  0  0  0  0           0  0  0
    1.1354   -6.4858    0.0000 C   0  0  0  0  0  0           0  0  0
    1.1328   -7.1949    0.0000 C   0  0  0  0  0  0           0  0  0
    1.7431   -7.5545    0.0000 C   0  0  0  0  0  0           0  0  0
    2.3610   -7.2044    0.0000 N   0  0  0  0  0  0           0  0  0
    0.5124   -7.5443    0.0000 O   0  0  0  0  0  0           0  0  0
   -0.0941   -7.1854    0.0000 C   0  0  0  0  0  0           0  0  0
    5.9625   -3.8167    0.0000 C   0  0  0  0  0  0           0  0  0
    7.0250   -4.4250    0.0000 C   0  0  0  0  0  0           0  0  0
    7.3718   -3.8097    0.0000 O   0  0  0  0  0  0           0  0  0
    7.3808   -5.0375    0.0000 O   0  5  0  0  0  0           0  0  0
    8.0458   -5.0625    0.0000 Na  0  3  0  0  0  0           0  0  0
 22 23  2  0     0  0
 23 24  1  0     0  0
  2  1  1  0     0  0
 24 25  2  0     0  0
 25 20  1  0     0  0
  5  4  1  0     0  0
 23 26  1  0     0  0
  7  8  2  0     0  0
 13 27  1  0     0  0
 12 13  1  0     0  0
 27 28  1  0     0  0
 13 14  1  0     0  0
 28 29  2  0     0  0
 14 15  2  0     0  0
 29 30  1  0     0  0
 15 11  1  0     0  0
 30 31  2  0     0  0
  6  5  1  0     0  0
 31 32  1  0     0  0
 15 16  1  0     0  0
 32 33  2  0     0  0
 33 28  1  0     0  0
 16  5  1  0     0  0
  8  9  1  0     0  0
 34 35  2  0     0  0
  5 17  1  0     0  0
 35 36  1  0     0  0
  9 12  2  0     0  0
 36 37  2  0     0  0
  7 18  1  0     0  0
 37 38  1  0     0  0
  3  2  1  0     0  0
 38 39  2  0     0  0
 39 34  1  0     0  0
 31 34  1  0     0  0
 18 19  1  0     0  0
 37 40  1  0     0  0
 11 10  2  0     0  0
 40 41  1  0     0  0
 19 20  1  0     0  0
 14 42  1  0     0  0
 42  2  1  0     0  0
 10  7  1  0     0  0
  2 43  1  0     0  0
 20 21  2  0     0  0
 43 44  2  0     0  0
 11 12  1  0     0  0
 43 45  1  0     0  0
 21 22  1  0     0  0
M  CHG  2  45  -1  46   1
M  END

$$$$
D03NND
  -OEChem-10101305022D

 33 34  0     0  0  0  0  0  0999 V2000
    6.4103   -1.9453    0.0000 O   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    1.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4103   -3.5547    0.0000 N   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   -0.2500    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
    3.7320    0.7500    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
    3.7320   -2.2500    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
    3.7320   -3.2500    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
    2.8660    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9939   -2.7500    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
    5.2087   -0.8577    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8101   -0.1674    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1215   -0.1423    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5200   -0.8326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3426    0.6423    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9441    1.3326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951   -1.9400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291    0.9400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951   -3.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -4.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3894    2.8577    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7880    2.1674    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6139   -2.7500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6200    3.7500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    4.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3800    3.7500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  1 16  1  0  0  0  0
  2 14  2  0  0  0  0
  3  8  1  0  0  0  0
  3 14  1  0  0  0  0
  3 25  1  0  0  0  0
  4 11  1  0  0  0  0
  4 16  2  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 18  1  0  0  0  0
  5 19  1  0  0  0  0
  6  8  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 22  1  0  0  0  0
  8 23  1  0  0  0  0
  9 11  1  0  0  0  0
 10 12  2  0  0  0  0
 10 24  1  0  0  0  0
 11 13  2  0  0  0  0
 12 13  1  0  0  0  0
 12 26  1  0  0  0  0
 13 27  1  0  0  0  0
 14 15  1  0  0  0  0
 15 17  1  0  0  0  0
 15 28  1  0  0  0  0
 15 29  1  0  0  0  0
 16 30  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
M  END

$$$$
D03NOU
  -OEChem-10101305032D

 16 15  0     0  0  0  0  0  0999 V2000
    3.7320   -1.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -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
    3.7320   -0.2500    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
    2.8660   -0.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900    0.2869    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -0.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   -0.7869    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4860    1.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2460    1.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    0.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  2  0  0  0  0
  2  8  1  0  0  0  0
  2 16  1  0  0  0  0
  3  8  2  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4  7  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  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 14  1  0  0  0  0
  6 15  1  0  0  0  0
  7  8  1  0  0  0  0
M  END

$$$$
D03NPA
  -OEChem-10101305032D

 81 84  0     1  0  0  0  0  0999 V2000
    8.6500   -2.6989    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4149   -3.4751    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7950    0.0564    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.4959    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2713    2.7127    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.5175    4.2819    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8747    2.5870    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3931   -1.4436    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.3931   -0.4436    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.3393   -0.1389    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.3393   -1.7483    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.5271   -1.9436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7510   -1.9504    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.9229   -0.9436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6610   -1.4436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5271    0.0564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7430   -2.9920    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.5431   -2.9851    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.6500    0.8116    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.6451   -3.5129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3931   -2.4436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3931    0.5564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6610   -0.4436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8076   -3.5418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8242   -1.3864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7587   -0.9505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8763   -1.9143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8680   -2.9993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6285    1.0179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9821    1.5560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3109   -4.4097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3109   -4.4059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9391    1.9684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9176    2.1746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2283    3.1251    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.5605    3.8694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2068    3.3314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1790   -0.0070    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9018   -2.1877    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3838   -1.3583    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3838   -0.5289    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9256    0.5313    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1285    0.5313    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7463   -3.8420    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5491   -3.6051    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0433    0.6838    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2478   -3.9888    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0460   -3.9858    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7731   -2.4436    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    8.0131   -2.4436    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    7.3931    1.1764    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7731    0.5564    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2324   -0.9197    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4343   -0.9043    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3787   -0.9553    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7635   -0.3305    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1388   -0.9457    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6718   -1.3290    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2647   -2.0157    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6490    0.3982    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2423    0.9305    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2566   -2.8267    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4436    1.9700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5681    2.0174    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5207    1.1419    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7728   -4.1018    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0030   -4.9478    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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 36 79  1  0  0  0  0
 36 80  1  0  0  0  0
M  END

$$$$
D03NPX
  -OEChem-10191523052D

 45 48  0     0  0  0  0  0  0999 V2000
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 29 44  1  0  0  0  0
 29 45  1  0  0  0  0
M  END

$$$$
D03NRJ
  -OEChem-10101305022D

 49 51  0     0  0  0  0  0  0999 V2000
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 23 48  1  0  0  0  0
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M  END

$$$$
D03NSJ
  -OEChem-04152109352D

 51 54  0     0  0  0  0  0  0999 V2000
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    3.0000   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8660   -4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  4  1  0  0  0  0
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  7 51  1  0  0  0  0
 10 11  2  0  0  0  0
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 27 32  1  0  0  0  0
 27 43  1  0  0  0  0
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 31 34  2  0  0  0  0
 31 35  1  0  0  0  0
 32 47  1  0  0  0  0
 33 48  1  0  0  0  0
 34 49  1  0  0  0  0
 35 50  1  0  0  0  0
M  END

$$$$
D03NTD
  -OEChem-10101305032D

 38 39  0     0  0  0  0  0  0999 V2000
    5.4641   -1.5600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.5600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -0.0600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8660   -0.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7320    1.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7320   -1.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.9282    0.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  9  1  0  0  0  0
  1 18  1  0  0  0  0
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  4  6  2  0  0  0  0
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 10 12  2  0  0  0  0
 11 24  1  0  0  0  0
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 13 16  1  0  0  0  0
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 18 30  1  0  0  0  0
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 18 32  1  0  0  0  0
 19 33  1  0  0  0  0
 19 34  1  0  0  0  0
 19 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
M  END

$$$$
D03NTG
  -OEChem-10101305032D

 58 59  0     0  0  0  0  0  0999 V2000
    5.4641   -3.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -3.5000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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   10.6603    6.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942    4.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.3301   -0.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    8.0622    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.0622    4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.0622    5.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.5981   -4.5000    0.0000 C   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
    2.8660   -6.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -7.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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  2 28  1  0  0  0  0
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 10 22  2  0  0  0  0
 10 25  1  0  0  0  0
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 13 15  1  0  0  0  0
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 13 32  1  0  0  0  0
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 16 18  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 40  1  0  0  0  0
 18 41  1  0  0  0  0
 20 22  1  0  0  0  0
 21 23  1  0  0  0  0
 21 44  1  0  0  0  0
 21 45  1  0  0  0  0
 22 24  1  0  0  0  0
 23 46  1  0  0  0  0
 23 47  1  0  0  0  0
 24 26  1  0  0  0  0
 25 27  2  0  0  0  0
 25 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
 28 51  1  0  0  0  0
 29 52  1  0  0  0  0
 29 53  1  0  0  0  0
 30 31  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

$$$$
D03NTO
  -OEChem-10101305022D

 48 51  0     1  0  0  0  0  0999 V2000
    6.7806    1.3790    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8834   -0.2347    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0913   -1.1809    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5743    2.3344    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.9270    1.7992    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0000    4.6523    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8834    1.3833    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    3.9563    4.2365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3090    3.7013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6696   -3.4944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6473    5.1876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0018   -4.2387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6481   -3.7006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6691    5.3955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3124   -5.1892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9588   -4.6512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2909   -5.3955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.3931   -0.3266    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   11.5655   -4.7790    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4836   -5.9848    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
  1 13  1  0  0  0  0
  2  9  1  0  0  0  0
  2 14  1  0  0  0  0
 11  3  1  6  0  0  0
  3 15  1  0  0  0  0
 12  4  1  1  0  0  0
  4 16  1  0  0  0  0
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  7 37  1  0  0  0  0
  8 20  1  0  0  0  0
  8 25  2  0  0  0  0
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  9 29  1  6  0  0  0
 10 12  1  0  0  0  0
 10 30  1  6  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 35  1  0  0  0  0
 14 36  1  0  0  0  0
 16 17  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 38  1  0  0  0  0
 18 39  1  0  0  0  0
 19 22  2  0  0  0  0
 19 40  1  0  0  0  0
 20 41  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 42  1  0  0  0  0
 23 26  1  0  0  0  0
 23 43  1  0  0  0  0
 24 27  2  0  0  0  0
 24 44  1  0  0  0  0
 25 45  1  0  0  0  0
 26 28  2  0  0  0  0
 26 46  1  0  0  0  0
 27 28  1  0  0  0  0
 27 47  1  0  0  0  0
 28 48  1  0  0  0  0
M  END

$$$$
D03NTQ
  -OEChem-10101305022D

 40 41  0     0  0  0  0  0  0999 V2000
    9.7942   -1.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5263   -0.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.3923    0.0000    0.0000 N   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
    7.1962    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -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
    8.9282    0.0000    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
    9.7942   -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
    2.8660   -0.5000    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
    2.8660    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.0000    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
   10.6603    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5263    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3923    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9316   -0.9749    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7287   -0.9749    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5947    0.4749    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8660   -1.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   10.1233    1.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5263    2.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.9292    1.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  2  0  0  0  0
  2  3  1  0  0  0  0
  2 14  2  0  0  0  0
  3 20  2  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4 21  1  0  0  0  0
  4 22  1  0  0  0  0
  5  7  1  0  0  0  0
  5 23  1  0  0  0  0
  5 24  1  0  0  0  0
  6  8  1  0  0  0  0
  6 25  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 11  1  0  0  0  0
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 10 12  2  0  0  0  0
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 11 14  1  0  0  0  0
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 12 33  1  0  0  0  0
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 14 18  1  0  0  0  0
 15 17  2  0  0  0  0
 15 35  1  0  0  0  0
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 17 37  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
 19 39  1  0  0  0  0
 20 40  1  0  0  0  0
M  END

$$$$
D03NUC
  -OEChem-10101305022D

 40 42  0     0  0  0  0  0  0999 V2000
    3.6750   -0.4806    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5411   -1.9806    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8090   -1.9806    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8090   -2.9806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.5684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6180   -3.5684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3090   -4.5194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3090   -4.5194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6750   -1.4806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5411    0.0194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4071    1.5194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5411    1.0194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4071    2.5194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4071   -0.4806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2731    1.0194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2731    0.0194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5411    3.0194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.4071    4.5194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  9  1  0  0  0  0
  1 10  1  0  0  0  0
  2  9  2  0  0  0  0
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  3  9  1  0  0  0  0
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  4  5  1  0  0  0  0
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  4 22  1  0  0  0  0
  5  7  1  0  0  0  0
  5 23  1  0  0  0  0
  5 26  1  0  0  0  0
  6  8  1  0  0  0  0
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  7  8  1  0  0  0  0
  7 29  1  0  0  0  0
  7 30  1  0  0  0  0
  8 27  1  0  0  0  0
  8 28  1  0  0  0  0
 10 12  1  0  0  0  0
 10 14  2  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
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 12 32  1  0  0  0  0
 13 17  2  0  0  0  0
 13 18  1  0  0  0  0
 14 16  1  0  0  0  0
 14 33  1  0  0  0  0
 15 16  2  0  0  0  0
 15 34  1  0  0  0  0
 16 35  1  0  0  0  0
 17 19  1  0  0  0  0
 17 36  1  0  0  0  0
 18 20  2  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 21  1  0  0  0  0
 20 39  1  0  0  0  0
 21 40  1  0  0  0  0
M  END

$$$$
D03NUN
  -OEChem-10101305022D

 34 35  0     1  0  0  0  0  0999 V2000
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    3.7320   -1.4400    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  2  9  1  0  0  0  0
  2 25  1  0  0  0  0
  3 11  1  0  0  0  0
  3 30  1  0  0  0  0
  3 31  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4 17  1  6  0  0  0
  5  7  1  0  0  0  0
  5 18  1  0  0  0  0
  5 19  1  0  0  0  0
  6 10  1  0  0  0  0
  6 11  1  6  0  0  0
  6 20  1  0  0  0  0
  7  8  1  0  0  0  0
  7 21  1  0  0  0  0
  7 22  1  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 26  1  0  0  0  0
  9 27  1  0  0  0  0
 10 12  2  0  0  0  0
 10 13  1  0  0  0  0
 12 14  1  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 16  2  0  0  0  0
 14 32  1  0  0  0  0
 15 16  1  0  0  0  0
 15 33  1  0  0  0  0
 16 34  1  0  0  0  0
M  END

$$$$
D03NUT
  -OEChem-10101305022D

 45 45  0     0  0  0  0  0  0999 V2000
    7.1962    4.9400    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.0600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -0.0600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    4.4400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6962    5.8060    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6962    4.0740    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    5.4400    0.0000 N   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
    3.7320   -4.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.5600    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
    4.5981   -1.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -5.5600    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
    2.0000   -6.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.4400    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    1.9400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.9400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    3.4400    0.0000 C   0  0  0  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
    5.4641    2.9400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5200   -2.4774    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1215   -3.1677    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9441   -4.6426    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3426   -3.9523    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8101   -3.1426    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2087   -2.4523    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6540   -3.9774    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2554   -4.6677    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3860   -0.9774    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9875   -1.6677    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0781   -6.1426    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4766   -5.4523    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6762   -1.6426    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0747   -0.9523    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -5.5231    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -6.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   -6.5969    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    1.6300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9272    1.6300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    3.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9272    3.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    6.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991    5.1300    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  7  1  0  0  0  0
  2 14  1  0  0  0  0
  2 16  1  0  0  0  0
  3 16  2  0  0  0  0
  4 20  1  0  0  0  0
  7 44  1  0  0  0  0
  7 45  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 23  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 13  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 15  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
 15 39  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
 18 40  1  0  0  0  0
 19 22  2  0  0  0  0
 19 41  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 21 42  1  0  0  0  0
 22 43  1  0  0  0  0
M  END

$$$$
D03NVE
  -OEChem-10101305022D

 49 53  0     0  0  0  0  0  0999 V2000
   17.6431    1.1536    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.8100    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
   13.3238   -0.5916    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.3100    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2764    0.6147    0.0000 N   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
    7.2764   -0.9947    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.3988    0.3100    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.3988   -0.6900    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.9874    0.9910    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.3293   -0.4871    0.0000 N   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    0.8100    0.0000 C   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
    5.4641    0.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8600   -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
    8.8600   -0.1900    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
    9.4477    0.6190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2078    0.8978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4477   -0.9990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1214    0.4910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7305    0.3219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7087    0.5298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3778   -0.2133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0177    1.4809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3560   -0.0054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9958    1.6888    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6650    0.9457    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1306    1.2850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3335    1.2850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4690    1.2040    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4675   -0.1649    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2646   -0.1649    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2562    1.2087    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5545    1.4118    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7618    1.3285    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2562   -1.5887    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100    1.3469    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    1.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900    0.2731    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.1862   -0.8030    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.6028    1.9416    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.7708   -0.4662    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.1874    2.2784    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 32  1  0  0  0  0
  2 16  2  0  0  0  0
  3 20  2  0  0  0  0
  4 12  1  0  0  0  0
  4 26  1  0  0  0  0
  5 14  1  0  0  0  0
  5 16  1  0  0  0  0
  5 20  1  0  0  0  0
  6 13  1  0  0  0  0
  6 17  1  0  0  0  0
  6 35  1  0  0  0  0
  7 15  1  0  0  0  0
  7 20  1  0  0  0  0
  7 38  1  0  0  0  0
  8 15  1  0  0  0  0
  8 17  2  0  0  0  0
  9 10  1  0  0  0  0
  9 21  1  0  0  0  0
  9 22  1  0  0  0  0
 10 23  2  0  0  0  0
 11 25  1  0  0  0  0
 11 26  2  0  0  0  0
 12 25  2  0  0  0  0
 13 15  2  0  0  0  0
 13 16  1  0  0  0  0
 14 18  1  0  0  0  0
 14 33  1  0  0  0  0
 14 34  1  0  0  0  0
 17 19  1  0  0  0  0
 18 24  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
 21 39  1  0  0  0  0
 22 25  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
 24 43  1  0  0  0  0
 24 44  1  0  0  0  0
 24 45  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 46  1  0  0  0  0
 29 31  2  0  0  0  0
 29 47  1  0  0  0  0
 30 32  2  0  0  0  0
 30 48  1  0  0  0  0
 31 32  1  0  0  0  0
 31 49  1  0  0  0  0
M  END

$$$$
D03NWH
  -OEChem-10101305032D

 27 29  0     0  0  0  0  0  0999 V2000
    2.8660    2.7500    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -2.7500    0.0000 O   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
    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
    3.7320    0.2500    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
    4.5981   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2241   -1.7847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2241    0.2847    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
    2.8660   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1301   -1.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1301   -0.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.2500    0.0000 C   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
    7.2169   -2.4046    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2169    0.9046    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    1.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6659   -1.5829    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6659    0.0829    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
    1.4631    1.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 16  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  8  2  0  0  0  0
  4  6  1  0  0  0  0
  4  8  1  0  0  0  0
  4 10  2  0  0  0  0
  5  7  1  0  0  0  0
  5  9  2  0  0  0  0
  6 11  2  0  0  0  0
  7 12  2  0  0  0  0
  7 13  1  0  0  0  0
  8  9  1  0  0  0  0
  9 19  1  0  0  0  0
 10 14  1  0  0  0  0
 10 20  1  0  0  0  0
 11 15  1  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 15  2  0  0  0  0
 14 24  1  0  0  0  0
 15 25  1  0  0  0  0
 16 18  2  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

$$$$
D03NWI
  -OEChem-10101305022D

 43 43  0     1  0  0  0  0  0999 V2000
    5.7000   -0.4375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.2381    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8805    1.2609    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7216    2.5481    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5043   -1.6735    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8101   -2.0336    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.2619    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2353    1.2098    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.2381    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5411    0.8497    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.2320    1.8008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2320    1.8008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9230    0.8497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4921    0.5407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.7381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 20 39  1  0  0  0  0
M  END

$$$$
D03NWV
  -OEChem-10101305032D

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M  END

$$$$
D03NXV
  -OEChem-10101305022D

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 30 56  1  0  0  0  0
M  END

$$$$
D03NXZ
  -OEChem-04152108522D

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  1 12  1  0  0  0  0
  1 14  1  0  0  0  0
 11  2  1  6  0  0  0
  2 34  1  0  0  0  0
 13  3  1  6  0  0  0
  3 35  1  0  0  0  0
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  4 37  1  0  0  0  0
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 12  6  1  1  0  0  0
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 25 43  1  0  0  0  0
 27 44  1  0  0  0  0
 27 45  1  0  0  0  0
 27 46  1  0  0  0  0
M  END

$$$$
D03NYE
  -OEChem-10101305032D

 62 61  0     0  0  0  0  0  0999 V2000
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   20.1865   -0.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    7.1962    0.2500    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
    6.3301   -0.2500    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
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   11.0588    0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2617    0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   11.1278   -0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9248   -0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1 20  2  0  0  0  0
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 18 20  1  0  0  0  0
 18 50  1  0  0  0  0
 18 51  1  0  0  0  0
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 20 21  1  0  0  0  0
 22 23  1  0  0  0  0
 22 55  1  0  0  0  0
 22 56  1  0  0  0  0
 23 24  1  0  0  0  0
 23 58  1  0  0  0  0
 23 59  1  0  0  0  0
 24 25  1  0  0  0  0
 24 60  1  0  0  0  0
 24 61  1  0  0  0  0
M  END

$$$$
D03NYF
  -OEChem-10101305022D

 33 35  0     0  0  0  0  0  0999 V2000
    2.3660   -4.3649    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.6750   -3.4139    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0000    1.6739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 10 25  1  0  0  0  0
 11 26  1  0  0  0  0
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 17 20  1  0  0  0  0
 18 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
M  END

$$$$
D03NZW
  -OEChem-10191522362D

 32 32  0     1  0  0  0  0  0999 V2000
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 12 28  1  0  0  0  0
 12 29  1  0  0  0  0
 12 30  1  0  0  0  0
M  END

$$$$
D03OCS
  -OEChem-10191522232D

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 50114  1  0  0  0  0
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 51116  1  0  0  0  0
 51117  1  0  0  0  0
 51118  1  0  0  0  0
 52119  1  0  0  0  0
 52120  1  0  0  0  0
 52121  1  0  0  0  0
M  END

$$$$
D03ODQ
  -OEChem-10101305022D

 18 18  0     0  0  0  0  0  0999 V2000
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    5.2989   -0.8646    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7809   -0.2601    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.6571    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6696   -1.4967    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1  6  1  0  0  0  0
  2  7  1  0  0  0  0
  2  8  2  0  0  0  0
  3  8  1  0  0  0  0
  3 17  1  0  0  0  0
  3 18  1  0  0  0  0
  4  5  1  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
  6  7  1  0  0  0  0
  6 13  1  0  0  0  0
  6 14  1  0  0  0  0
  7 15  1  0  0  0  0
  7 16  1  0  0  0  0
M  END

$$$$
D03OED
  -OEChem-10101305022D

 38 40  0     0  0  0  0  0  0999 V2000
    2.0000   -3.2844    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   10.0994    0.4328    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1424   -1.5891    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4530    0.9709    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.7260   -0.7844    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -0.2844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -1.2844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1424    0.0204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.2844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -1.7844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.2156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.2844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.7844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7422    2.1276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7207    2.3338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4315    1.1771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.2844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.7844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0314    3.2844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.7844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.2844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.7844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -2.4044    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.8356    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9272    0.0256    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3350   -2.1784    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7216    2.7473    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1284    2.2150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0390    1.4324    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7413    1.7142    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3345    2.2465    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.6644    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -3.0944    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.6207    3.0918    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2240    3.8737    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4420    3.4770    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -1.4744    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.9044    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 22  1  0  0  0  0
  2 16  2  0  0  0  0
  3  5  1  0  0  0  0
  3  7  1  0  0  0  0
  3 26  1  0  0  0  0
  4  8  1  0  0  0  0
  4 16  1  0  0  0  0
  4 29  1  0  0  0  0
  5  8  2  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  6 11  1  0  0  0  0
  7 10  1  0  0  0  0
  9 10  2  0  0  0  0
  9 12  1  0  0  0  0
  9 13  1  0  0  0  0
 10 23  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 17  2  0  0  0  0
 13 18  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 14 27  1  0  0  0  0
 14 28  1  0  0  0  0
 15 19  1  0  0  0  0
 15 30  1  0  0  0  0
 15 31  1  0  0  0  0
 17 20  1  0  0  0  0
 17 32  1  0  0  0  0
 18 21  2  0  0  0  0
 18 33  1  0  0  0  0
 19 34  1  0  0  0  0
 19 35  1  0  0  0  0
 19 36  1  0  0  0  0
 20 22  2  0  0  0  0
 20 37  1  0  0  0  0
 21 22  1  0  0  0  0
 21 38  1  0  0  0  0
M  END

$$$$
D03OEN
  -OEChem-10101305022D

 36 37  0     0  0  0  0  0  0999 V2000
    6.0531    0.5838    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3673   -0.6985    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.4157    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.8660    0.0843    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4103   -2.7204    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0102    0.9963    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.9157    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.4157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4103   -1.1110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2993    2.1530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -2.4157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9887    1.2025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2778    2.3592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9939   -1.9157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.9157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7210   -0.1605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.9157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.4157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6995    0.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.4157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5885    3.3098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2788    2.7727    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6855    2.2404    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0092    0.5828    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6025    1.1152    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2984    1.7396    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8916    2.2719    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6139   -1.9157    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6029   -3.3098    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.2957    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5961    1.4578    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -3.5357    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951   -2.7257    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1778    3.1172    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7811    3.8991    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9992    3.5024    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 16  2  0  0  0  0
  2 19  2  0  0  0  0
  3  7  1  0  0  0  0
  4  7  2  0  0  0  0
  5 11  1  0  0  0  0
  5 14  1  0  0  0  0
  5 29  1  0  0  0  0
  6 12  1  0  0  0  0
  6 19  1  0  0  0  0
  6 31  1  0  0  0  0
  7 18  1  0  0  0  0
  8  9  1  0  0  0  0
  8 11  2  0  0  0  0
  8 15  1  0  0  0  0
  9 14  2  0  0  0  0
  9 16  1  0  0  0  0
 10 12  1  0  0  0  0
 10 13  1  0  0  0  0
 10 22  1  0  0  0  0
 10 23  1  0  0  0  0
 11 17  1  0  0  0  0
 12 24  1  0  0  0  0
 12 25  1  0  0  0  0
 13 21  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
 15 18  2  0  0  0  0
 15 30  1  0  0  0  0
 16 19  1  0  0  0  0
 17 20  2  0  0  0  0
 17 32  1  0  0  0  0
 18 20  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  CHG  2   3  -1   7   1
M  END

$$$$
D03OGA
  -OEChem-10191521312D

 37 38  0     0  0  0  0  0  0999 V2000
    2.8660    0.9827    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1282    0.9585    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.5173    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.5173    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.4827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    2.4827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.9827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.4827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3580    0.9480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.9827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3580    3.0173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.4827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641    1.4619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641    2.5035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.0173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.5173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.4827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9962    1.4552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.0173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.0173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3509    0.3280    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    3.6027    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3509    3.6373    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951    2.7927    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7998    2.8156    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -0.3273    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951   -0.2073    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100    2.0196    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    1.7927    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900    0.9457    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -1.8273    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3041    0.9171    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5343    1.7631    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6882    1.9933    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2460   -3.0173    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.6373    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4860   -3.0173    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
  1 17  1  0  0  0  0
  2 13  1  0  0  0  0
  2 18  1  0  0  0  0
  3 19  2  0  0  0  0
  4 16  1  0  0  0  0
  4 19  1  0  0  0  0
  4 31  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  5  9  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 15  1  0  0  0  0
  8 12  1  0  0  0  0
  9 13  2  0  0  0  0
  9 21  1  0  0  0  0
 10 12  2  0  0  0  0
 10 22  1  0  0  0  0
 11 14  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
 14 25  1  0  0  0  0
 15 16  2  0  0  0  0
 15 26  1  0  0  0  0
 16 27  1  0  0  0  0
 17 28  1  0  0  0  0
 17 29  1  0  0  0  0
 17 30  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
 19 20  1  0  0  0  0
 20 35  1  0  0  0  0
 20 36  1  0  0  0  0
 20 37  1  0  0  0  0
M  END

$$$$
D03OGD
  -OEChem-10101305022D

 44 45  0     0  0  0  0  0  0999 V2000
    7.2437    2.0262    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.4330    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8141    4.6535    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2318    5.3580    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4347    3.4275    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.0670    0.0000 C   0  0  0  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   -2.0670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.4330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.5670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.9330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.5670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.9330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -4.0670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -4.0670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    2.4330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -5.0670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -5.0670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -5.5670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4128    3.6354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9128    2.7694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8195    4.5489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2208    5.5670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5200   -0.4844    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1215   -1.1747    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8101   -1.1496    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2087   -0.4594    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9441   -2.6496    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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 23 43  1  0  0  0  0
 23 44  1  0  0  0  0
M  END

$$$$
D03OGO
  -OEChem-10101305032D

 44 47  0     1  0  0  0  0  0999 V2000
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 26 43  1  0  0  0  0
 27 44  1  0  0  0  0
M  END

$$$$
D03OKV
  -OEChem-10101305032D

 51 55  0     1  0  0  0  0  0999 V2000
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 28 29  1  0  0  0  0
 28 50  1  0  0  0  0
 29 51  1  0  0  0  0
M  END

$$$$
D03OLR
  -OEChem-10191521542D

 56 60  0     1  0  0  0  0  0999 V2000
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    2.5016    3.5746    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6356    3.7118    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  5 16  1  0  0  0  0
  5 22  2  0  0  0  0
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  6 28  1  0  0  0  0
  6 31  1  0  0  0  0
  7 23  2  0  0  0  0
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 16 18  2  0  0  0  0
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 17 20  1  0  0  0  0
 18 26  1  0  0  0  0
 18 41  1  0  0  0  0
 19 21  1  0  0  0  0
 19 40  1  0  0  0  0
 20 25  2  0  0  0  0
 20 42  1  0  0  0  0
 21 23  1  0  0  0  0
 21 28  2  0  0  0  0
 22 24  1  0  0  0  0
 22 27  1  0  0  0  0
 23 25  1  0  0  0  0
 24 29  1  0  0  0  0
 24 43  1  0  0  0  0
 24 44  1  0  0  0  0
 25 45  1  0  0  0  0
 26 27  2  0  0  0  0
 26 46  1  0  0  0  0
 27 47  1  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
 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 54  1  0  0  0  0
 31 55  1  0  0  0  0
 31 56  1  0  0  0  0
M  END

$$$$
D03OLU
  -OEChem-10191522382D

 43 43  0     1  0  0  0  0  0999 V2000
    2.8660   -1.2500    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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    3.5981   -0.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8660    2.7500    0.0000 N   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
    3.7320    1.2500    0.0000 C   0  0  0  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
    5.4641    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1 17  1  0  0  0  0
  2 21  1  0  0  0  0
  3  4  2  0  0  0  0
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  3  6  1  0  0  0  0
  3 14  1  0  0  0  0
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  7 10  1  0  0  0  0
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 10 25  1  0  0  0  0
 10 26  1  0  0  0  0
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 13 15  1  0  0  0  0
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 13 34  1  0  0  0  0
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 15 40  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 19  1  0  0  0  0
 18 20  2  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 21  1  0  0  0  0
 20 43  1  0  0  0  0
M  END

$$$$
D03OLX
  -OEChem-10101305022D

 39 41  0     1  0  0  0  0  0999 V2000
    5.9405    0.8252    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6844    3.0874    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4026    1.3296    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783   -0.4327    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.6651    2.0032    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783   -2.0422    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.2375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.7374    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.2374    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9422    1.8252    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.9917    2.1358    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.4026    1.3278    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.9889    0.5178    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.7523    2.4116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.4942    1.5427    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
  1 13  1  0  0  0  0
 11  2  1  6  0  0  0
  2 28  1  0  0  0  0
 12  3  1  6  0  0  0
  3 29  1  0  0  0  0
 13  4  1  1  0  0  0
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  4 16  1  0  0  0  0
  5 14  1  0  0  0  0
  5 18  1  0  0  0  0
  5 19  1  0  0  0  0
  6 16  2  0  0  0  0
  6 17  1  0  0  0  0
  7 15  1  0  0  0  0
  7 21  2  0  0  0  0
  8 20  2  0  0  0  0
  8 21  1  0  0  0  0
  9 20  1  0  0  0  0
  9 38  1  0  0  0  0
  9 39  1  0  0  0  0
 10 11  1  0  0  0  0
 10 14  1  1  0  0  0
 10 22  1  0  0  0  0
 11 12  1  0  0  0  0
 11 23  1  0  0  0  0
 12 13  1  0  0  0  0
 12 24  1  0  0  0  0
 13 25  1  0  0  0  0
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 14 27  1  0  0  0  0
 15 17  2  0  0  0  0
 16 30  1  0  0  0  0
 17 20  1  0  0  0  0
 18 34  1  0  0  0  0
 18 35  1  0  0  0  0
 18 36  1  0  0  0  0
 19 31  1  0  0  0  0
 19 32  1  0  0  0  0
 19 33  1  0  0  0  0
 21 37  1  0  0  0  0
M  END

$$$$
D03OQG
  -OEChem-10101305022D

 19 20  0     1  0  0  0  0  0999 V2000
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    2.0000    0.1924    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  7  1  0  0  0  0
  1  9  1  0  0  0  0
  2  7  2  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3  6  1  0  0  0  0
  3  7  1  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 11  1  0  0  0  0
  5 12  1  0  0  0  0
  6  9  1  0  0  0  0
  6 13  1  0  0  0  0
  6 14  1  0  0  0  0
  8 15  1  0  0  0  0
  8 16  1  0  0  0  0
  8 17  1  0  0  0  0
  9 18  1  0  0  0  0
  9 19  1  0  0  0  0
M  END

$$$$
D03OQK
  -OEChem-10101305022D

 43 46  0     1  0  0  0  0  0999 V2000
    5.0274    1.8620    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.0409    2.4932    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0589    1.0920    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2807   -0.9896    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5481    0.7217    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 23 40  1  0  0  0  0
 24 41  1  0  0  0  0
 24 42  1  0  0  0  0
 24 43  1  0  0  0  0
M  END

$$$$
D03OSO
  -OEChem-04152111152D

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 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

$$$$
D03OUU
  -OEChem-10101305022D

 33 34  0     0  0  0  0  0  0999 V2000
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 17 28  1  0  0  0  0
M  END

$$$$
D03OXL
  -OEChem-10101305022D

 51 50  0     1  0  0  0  0  0999 V2000
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   12.0632    1.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 26 47  1  0  0  0  0
 26 48  1  0  0  0  0
M  END

$$$$
D03OYD
  -OEChem-10191521292D

 62 63  0     1  0  0  0  0  0999 V2000
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 10  2  1  1  0  0  0
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 11  3  1  1  0  0  0
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 18  4  1  6  0  0  0
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 18 48  1  0  0  0  0
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 27 29  2  0  0  0  0
 28 29  1  0  0  0  0
 28 61  1  0  0  0  0
 29 62  1  0  0  0  0
M  END

$$$$
D03OYL
  -OEChem-10101305022D

 42 43  0     0  0  0  0  0  0999 V2000
   10.3312   -0.7073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.7927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.4030   -0.7073    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    5.1350   -0.7073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1972   -0.2073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -0.2073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9292   -0.2073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 20 21  2  0  0  0  0
 20 39  1  0  0  0  0
 21 40  1  0  0  0  0
M  END

$$$$
D03OZD
  -OEChem-10191521182D

 52 55  0     1  0  0  0  0  0999 V2000
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 29 49  1  0  0  0  0
 30 52  1  0  0  0  0
M  END

$$$$
D03PAH
  -OEChem-10101305022D

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M  END

$$$$
D03PBN
  -OEChem-10191522452D

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M  END

$$$$
D03PEA
  -OEChem-10191522292D

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 75117  1  0  0  0  0
 76119  1  0  0  0  0
 77120  1  0  0  0  0
M  CHG  8   5   1   6   1   7   1   8   1   9  -1  10  -1  13  -1  14  -1
M  END

$$$$
D03PGF
  -OEChem-10101305032D

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 16 30  1  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
 19 31  1  0  0  0  0
M  END

$$$$
D03PGL
  -OEChem-10191521492D

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  1  6  2  0  0  0  0
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  2 14  2  0  0  0  0
  2 15  1  0  0  0  0
  3 14  1  0  0  0  0
  3 25  1  0  0  0  0
  3 26  1  0  0  0  0
  4  5  1  0  0  0  0
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  4  9  1  0  0  0  0
  5  7  2  0  0  0  0
  5 16  1  0  0  0  0
  6  7  1  0  0  0  0
  6 12  1  0  0  0  0
  7 17  1  0  0  0  0
  8 10  1  0  0  0  0
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 10 13  2  0  0  0  0
 10 21  1  0  0  0  0
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 11 22  1  0  0  0  0
 12 15  2  0  0  0  0
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 13 23  1  0  0  0  0
 15 24  1  0  0  0  0
M  END

$$$$
D03PGV
  -OEChem-10191522352D

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 32 61  1  0  0  0  0
 33 62  1  0  0  0  0
M  END

$$$$
D03PIF
  -OEChem-10101305022D

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 33 65  1  0  0  0  0
 33 66  1  0  0  0  0
 34 67  1  0  0  0  0
 34 68  1  0  0  0  0
M  END

$$$$
D03PIP
  -OEChem-10101305022D

 76 79  0     0  0  0  0  0  0999 V2000
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 23 28  1  0  0  0  0
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 31 70  1  0  0  0  0
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 33 73  1  0  0  0  0
 34 74  1  0  0  0  0
 34 75  1  0  0  0  0
 34 76  1  0  0  0  0
M  END

$$$$
D03PJO
  -OEChem-10101305022D

 24 25  0     0  0  0  0  0  0999 V2000
    4.2690   -3.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    3.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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    2.5369    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 14 16  2  0  0  0  0
 14 22  1  0  0  0  0
 15 16  1  0  0  0  0
 15 23  1  0  0  0  0
M  END

$$$$
D03PLH
  -OEChem-10191522472D

 59 60  0     1  0  0  0  0  0999 V2000
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 15  2  1  6  0  0  0
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 23 24  1  0  0  0  0
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 23 53  1  0  0  0  0
 24 56  1  0  0  0  0
 24 57  1  0  0  0  0
 24 58  1  0  0  0  0
M  END

$$$$
D03PLP
  BIDD-NUS20110812001D

 21 23  0     0  0            999 V2000
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 10 11  1  0     0  0
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 13 14  2  0     0  0
 14  9  1  0     0  0
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 15 16  2  0     0  0
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 16 17  1  0     0  0
 17 18  2  0     0  0
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 18 19  1  0     0  0
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 19 20  2  0     0  0
 20 15  1  0     0  0
 14 15  1  0     0  0
  2  3  1  0     0  0
 18 21  1  0     0  0
M  ENDM  END

$$$$
D03PLV
  -OEChem-10101305022D

 33 35  0     1  0  0  0  0  0999 V2000
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 10  5  1  6  0  0  0
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 10 21  1  0  0  0  0
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 18 30  1  0  0  0  0
 19 31  1  0  0  0  0
M  END

$$$$
D03POE
  -OEChem-10101305022D

 42 44  0     0  0  0  0  0  0999 V2000
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 20 37  1  0  0  0  0
 21 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 24  2  0  0  0  0
 23 40  1  0  0  0  0
 24 41  1  0  0  0  0
M  END

$$$$
D03POP
  -OEChem-10101305022D

 48 51  0     1  0  0  0  0  0999 V2000
    8.7327    1.4869    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0786    0.3950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0824    2.5706    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.3301   -3.5784    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   10.2706    0.9842    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.3191    0.6768    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.2724    1.9842    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.3219    2.2949    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.0145    3.2464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -0.5784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.6455    0.6462    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   10.2120   -1.0784    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 14  1  0  0  0  0
 11  2  1  1  0  0  0
  2 36  1  0  0  0  0
 13  3  1  1  0  0  0
  3 37  1  0  0  0  0
  4 15  1  0  0  0  0
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  5 10  1  0  0  0  0
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 12  6  1  6  0  0  0
  6 16  1  0  0  0  0
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 10 19  1  0  0  0  0
 10 40  1  0  0  0  0
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 16 18  1  0  0  0  0
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 18 19  2  0  0  0  0
 20 21  1  0  0  0  0
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 22 24  1  0  0  0  0
 23 41  1  0  0  0  0
 23 42  1  0  0  0  0
 23 43  1  0  0  0  0
 24 25  2  0  0  0  0
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 25 27  1  0  0  0  0
 25 44  1  0  0  0  0
 26 28  2  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 29  1  0  0  0  0
 28 47  1  0  0  0  0
 29 48  1  0  0  0  0
M  END

$$$$
D03POU
  -OEChem-10101305032D

 35 37  0     0  0  0  0  0  0999 V2000
    9.6648   -1.5880    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6648    0.1440    0.0000 O   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
    6.0812   -0.6607    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -0.8560    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    0.6440    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    2.1440    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
    6.6648    0.1440    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
    5.1350    0.6440    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
    8.1648   -0.7220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1648    1.0101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    1.1440    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
    9.6648    0.1440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1648    1.0101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -0.3560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.1648    1.0101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2738    1.5381    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7320    2.4540    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0000   -0.5460    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   11.4748    1.5470    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6279    1.3201    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 17  1  0  0  0  0
  2 21  1  0  0  0  0
  3  9  1  0  0  0  0
  3 11  1  0  0  0  0
  3 22  1  0  0  0  0
  4  9  2  0  0  0  0
  4 12  1  0  0  0  0
  5 12  2  0  0  0  0
  5 19  1  0  0  0  0
  6 15  1  0  0  0  0
  6 19  2  0  0  0  0
  7 15  1  0  0  0  0
  7 26  1  0  0  0  0
  7 27  1  0  0  0  0
  8 19  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
 10 13  2  0  0  0  0
 10 14  1  0  0  0  0
 11 12  1  0  0  0  0
 11 15  2  0  0  0  0
 13 16  1  0  0  0  0
 13 23  1  0  0  0  0
 14 18  2  0  0  0  0
 14 24  1  0  0  0  0
 16 17  2  0  0  0  0
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 18 25  1  0  0  0  0
 20 30  1  0  0  0  0
 20 31  1  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 35  1  0  0  0  0
M  END

$$$$
D03PPZ
  -OEChem-10101305022D

 36 38  0     0  0  0  0  0  0999 V2000
    8.3780   -0.8925    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0864   -2.0465    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5274    1.7639    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0547    0.6397    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    5.0274    0.2251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.3364    1.1762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7183    1.1762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7123   -0.5596    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.3424   -0.5596    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3518    1.4084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7029    1.4084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3991   -1.0966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3219   -0.3509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.6397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.1236   -2.8463    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1729   -1.9709    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    1.3940    0.7710    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1 18  1  0  0  0  0
  2 18  2  0  0  0  0
  3  8  1  0  0  0  0
  3  9  1  0  0  0  0
  3 21  1  0  0  0  0
  4 14  2  0  0  0  0
  4 16  1  0  0  0  0
  5 11  1  0  0  0  0
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  5 13  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6 10  2  0  0  0  0
  7  9  1  0  0  0  0
  7 15  2  0  0  0  0
  8 16  2  0  0  0  0
  9 17  2  0  0  0  0
 10 14  1  0  0  0  0
 10 22  1  0  0  0  0
 11 28  1  0  0  0  0
 11 29  1  0  0  0  0
 11 30  1  0  0  0  0
 12 25  1  0  0  0  0
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 13 23  1  0  0  0  0
 13 24  1  0  0  0  0
 13 31  1  0  0  0  0
 14 18  1  0  0  0  0
 15 19  1  0  0  0  0
 15 32  1  0  0  0  0
 16 33  1  0  0  0  0
 17 20  1  0  0  0  0
 17 34  1  0  0  0  0
 19 20  2  0  0  0  0
 19 35  1  0  0  0  0
 20 36  1  0  0  0  0
M  END

$$$$
D03PQH
  -OEChem-10101305022D

 26 25  0     0  0  0  0  0  0999 V2000
    5.3520    2.3700    0.0000 I   0  5  0  0  0  0  0  0  0  0  0  0
    0.0000    0.6200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7320    3.6200    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    1.7320    2.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7320    4.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7320    3.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7321    3.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8660    2.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5981    2.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8660    1.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5981    1.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7320    0.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3521    4.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    1.1120    4.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    0.3291    2.4300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1350    2.4300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    1.7320    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2 10  1  0  0  0  0
  2 26  1  0  0  0  0
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  3  7  1  0  0  0  0
  4  8  2  0  0  0  0
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  5 13  1  0  0  0  0
  5 14  1  0  0  0  0
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 10 12  2  0  0  0  0
 11 12  1  0  0  0  0
 11 24  1  0  0  0  0
 12 25  1  0  0  0  0
M  CHG  2   1  -1   3   1
M  END

$$$$
D03PRG
  BIDD-NUS20110812001D

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 32 28  1  1     0  0
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 31 32  1  0     0  0
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 13 15  1  0     0  0
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 32 33  1  0     0  0
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 16 17  1  0     0  0
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 17 18  1  0     0  0
 37 38  1  0     0  0
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 20 21  1  0     0  0
 43 44  2  0     0  0
 44 39  1  0     0  0
M  ENDM  END

$$$$
D03PSY
  -OEChem-10101305022D

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 48110  1  0  0  0  0
 49111  1  0  0  0  0
 49112  1  0  0  0  0
 49113  1  0  0  0  0
 50114  1  0  0  0  0
 50115  1  0  0  0  0
 50116  1  0  0  0  0
 51118  1  0  0  0  0
 51119  1  0  0  0  0
 51120  1  0  0  0  0
 52121  1  0  0  0  0
 52122  1  0  0  0  0
 52123  1  0  0  0  0
 53124  1  0  0  0  0
 53125  1  0  0  0  0
 53126  1  0  0  0  0
M  END

$$$$
D03PTV
  -OEChem-10101305022D

 57 60  0     0  0  0  0  0  0999 V2000
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    7.1962   -3.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5200    1.2836    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1215    0.5933    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0747    0.5933    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6762    1.2836    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    5.6762   -0.8816    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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 15 24  1  0  0  0  0
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 17 26  2  0  0  0  0
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 18 25  2  0  0  0  0
 18 45  1  0  0  0  0
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 20 22  1  0  0  0  0
 20 47  1  0  0  0  0
 21 48  1  0  0  0  0
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 22 51  1  0  0  0  0
 23 27  2  0  0  0  0
 23 52  1  0  0  0  0
 24 28  2  0  0  0  0
 24 53  1  0  0  0  0
 25 27  1  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 57  1  0  0  0  0
 28 56  1  0  0  0  0
M  END

$$$$
D03PVF
  -OEChem-10101305022D

 42 44  0     0  0  0  0  0  0999 V2000
    3.0000   -1.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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    5.5981    2.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    2.1340   -3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  1 13  1  0  0  0  0
  4  8  1  0  0  0  0
  4  9  1  0  0  0  0
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  5 11  1  0  0  0  0
  5 12  1  0  0  0  0
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  6 21  2  0  0  0  0
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  8 27  1  0  0  0  0
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 10 29  1  0  0  0  0
 10 30  1  0  0  0  0
 11 31  1  0  0  0  0
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 14 24  1  0  0  0  0
 15 17  1  0  0  0  0
 15 33  1  0  0  0  0
 16 18  2  0  0  0  0
 16 34  1  0  0  0  0
 17 19  2  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
 19 23  1  0  0  0  0
 20 22  2  0  0  0  0
 20 37  1  0  0  0  0
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 21 38  1  0  0  0  0
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 23 40  1  0  0  0  0
 23 41  1  0  0  0  0
 23 42  1  0  0  0  0
M  END

$$$$
D03PVM
  -OEChem-10101305022D

 39 39  0     1  0  0  0  0  0999 V2000
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    2.8660    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8660    2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7320    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -0.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6540   -0.4174    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.6540   -2.5826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8101   -2.5826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2087   -1.8923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3335   -2.9750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1306   -2.9750    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
    3.4860    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
    2.2460    2.0000    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
    1.4631    0.1900    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
    5.7741    1.9631    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
    5.1541    3.0369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0420    3.0369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951    2.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4220    1.9631    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  2  0  0  0  0
  2  4  1  0  0  0  0
  2 10  1  0  0  0  0
  2 11  1  0  0  0  0
  3 11  1  0  0  0  0
  3 14  1  0  0  0  0
  3 15  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4 16  1  0  0  0  0
  5  8  1  0  0  0  0
  5 17  1  0  0  0  0
  5 18  1  0  0  0  0
  6  7  1  0  0  0  0
  6 19  1  0  0  0  0
  6 20  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  9  1  0  0  0  0
  8 21  1  0  0  0  0
  8 22  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 13  1  0  0  0  0
 10 27  1  0  0  0  0
 12 28  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
 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
M  END

$$$$
D03PVS
  -OEChem-10101305032D

 21 22  0     0  0  0  0  0  0999 V2000
    4.6783   -1.2116    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.7619    0.4591    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9889    1.3484    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7619   -1.2729    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.0931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.9069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783    0.3979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2619   -0.4069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.5931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.4069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.0931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.9069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2619   -0.4069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.2131    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.0269    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    0.4031    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -1.2169    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5749    1.8098    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5956    1.4762    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3819   -1.2729    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4519   -1.8098    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  8  1  0  0  0  0
  2 13  2  0  0  0  0
  3  7  1  0  0  0  0
  3 18  1  0  0  0  0
  3 19  1  0  0  0  0
  4 13  1  0  0  0  0
  4 20  1  0  0  0  0
  4 21  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 10  2  0  0  0  0
  7  8  2  0  0  0  0
  8 13  1  0  0  0  0
  9 11  1  0  0  0  0
  9 14  1  0  0  0  0
 10 12  1  0  0  0  0
 10 15  1  0  0  0  0
 11 12  2  0  0  0  0
 11 16  1  0  0  0  0
 12 17  1  0  0  0  0
M  END

$$$$
D03PVV
  -OEChem-10191521302D

 83 82  0     1  0  0  0  0  0999 V2000
    6.3301   -0.4050    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
    5.4641   -0.9050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603    0.0950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    0.0950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5263   -1.4050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8301    0.4610    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    6.8301   -1.2710    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    1.0950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.4050    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   17.5885    0.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.4545   -0.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7224   -0.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3205    0.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8564    0.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.1865   -0.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9904   -0.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.0526    0.0950    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
   21.9186   -0.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1244    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
    2.3660   -1.2710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3660    0.4610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.7846    0.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2583   -0.4050    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
   23.6506   -0.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3923    0.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.5167    0.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5263   -0.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    0.0950    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.7942   -0.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -0.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.9870    0.5699    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.1899    0.5699    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.0560   -0.8799    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.8530   -0.8799    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.3239   -0.8799    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.1210   -0.8799    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.7190    0.5699    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.9220    0.5699    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.2549    0.5699    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.4579    0.5699    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.7880   -0.8799    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.5851   -0.8799    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.5919   -0.8799    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.3889   -0.8799    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.4511    0.5699    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.6540    0.5699    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3335   -1.3800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1306   -1.3800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.5201   -0.8799    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   22.3171   -0.8799    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.5229    0.5699    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.7258    0.5699    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100    0.6319    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
    1.6900   -0.4419    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8291   -0.9610    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0560   -1.8080    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9030   -1.5810    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9030    0.1510    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6760    0.9980    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8291    0.7710    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   23.1831    0.5699    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   22.3861    0.5699    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.8598   -0.8799    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.6569   -0.8799    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9966    0.0699    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1996    0.0699    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   23.2521   -0.8799    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   24.0492   -0.8799    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.7908    0.5699    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9938    0.5699    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   24.8267   -0.4419    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   25.0536    0.4050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   24.2067    0.6319    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651    0.4050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3957   -0.8799    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1928   -0.8799    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6636   -0.8799    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4607   -0.8799    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651    1.4050    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  6  1  0  0  0  0
  1  7  2  0  0  0  0
  2 26  1  0  0  0  0
  3 30  1  0  0  0  0
  3 32  1  0  0  0  0
  4 33  1  0  0  0  0
  5 30  2  0  0  0  0
 31  8  1  1  0  0  0
  8 83  1  0  0  0  0
  9 18  1  0  0  0  0
  9 21  1  0  0  0  0
  9 22  1  0  0  0  0
  9 23  1  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
 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 15  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
 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 20  1  0  0  0  0
 16 46  1  0  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 26  1  0  0  0  0
 18 50  1  0  0  0  0
 18 51  1  0  0  0  0
 19 24  1  0  0  0  0
 19 52  1  0  0  0  0
 19 53  1  0  0  0  0
 20 25  1  0  0  0  0
 20 54  1  0  0  0  0
 20 55  1  0  0  0  0
 21 56  1  0  0  0  0
 21 57  1  0  0  0  0
 21 58  1  0  0  0  0
 22 59  1  0  0  0  0
 22 60  1  0  0  0  0
 22 61  1  0  0  0  0
 23 62  1  0  0  0  0
 23 63  1  0  0  0  0
 23 64  1  0  0  0  0
 24 27  1  0  0  0  0
 24 65  1  0  0  0  0
 24 66  1  0  0  0  0
 25 28  1  0  0  0  0
 25 67  1  0  0  0  0
 25 68  1  0  0  0  0
 26 69  1  0  0  0  0
 26 70  1  0  0  0  0
 27 29  1  0  0  0  0
 27 71  1  0  0  0  0
 27 72  1  0  0  0  0
 28 30  1  0  0  0  0
 28 73  1  0  0  0  0
 28 74  1  0  0  0  0
 29 75  1  0  0  0  0
 29 76  1  0  0  0  0
 29 77  1  0  0  0  0
 31 32  1  0  0  0  0
 31 33  1  0  0  0  0
 31 78  1  0  0  0  0
 32 79  1  0  0  0  0
 32 80  1  0  0  0  0
 33 81  1  0  0  0  0
 33 82  1  0  0  0  0
M  CHG  2   6  -1   9   1
M  END

$$$$
D03PWU
  -OEChem-10101305032D

 36 36  0     1  0  0  0  0  0999 V2000
    5.4641    2.8450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    1.3450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.3450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    4.3450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.8450    0.0000 O   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
    3.7320   -4.1550    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.3450    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.7320    1.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.8450    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
    3.7320   -1.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    3.3450    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
    4.5981   -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
    2.8660   -2.6550    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
    2.8660   -4.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    1.0350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1 32  1  0  0  0  0
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 10 14  1  0  0  0  0
 10 24  1  0  0  0  0
 10 25  1  0  0  0  0
 12 13  1  0  0  0  0
 13 15  2  0  0  0  0
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 15 18  1  0  0  0  0
 15 27  1  0  0  0  0
 16 19  2  0  0  0  0
 16 28  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 18 29  1  0  0  0  0
 19 30  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

$$$$
D03PXS
  -OEChem-10101305022D

 31 33  0     0  0  0  0  0  0999 V2000
    6.3301    2.4827    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.9827    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.4827    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.5173    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    0.9827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.4641    0.9827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.4827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0901    0.4480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.4827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.9827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0901    2.5173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.0173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9962    0.9619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.4631   -0.7073    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1  6  1  0  0  0  0
  1 11  1  0  0  0  0
  2 10  2  0  0  0  0
  3 11  2  0  0  0  0
  4 10  1  0  0  0  0
  4 13  1  0  0  0  0
  4 24  1  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  5  9  2  0  0  0  0
  6 12  2  0  0  0  0
  7  8  2  0  0  0  0
  7 10  1  0  0  0  0
  7 11  1  0  0  0  0
  8 21  1  0  0  0  0
  9 14  1  0  0  0  0
  9 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 17  1  0  0  0  0
 14 15  2  0  0  0  0
 14 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

$$$$
D03PYX
  -OEChem-10101305022D

 43 44  0     1  0  0  0  0  0999 V2000
    9.8602    0.2085    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    5.4641    0.7327    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
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    6.3301    0.2327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    2.2327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    0.7327    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
    3.7320    0.7327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.7673    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
    8.0901    0.1980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0901    2.2673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9962    0.7119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0000    0.7327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.2673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.3984    0.5164    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 15  1  0  0  0  0
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 10 12  1  0  0  0  0
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 13 15  2  0  0  0  0
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 16 36  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 37  1  0  0  0  0
 18 41  1  0  0  0  0
 18 42  1  0  0  0  0
M  END

$$$$
D03QAN
  -OEChem-10101305032D

 48 51  0     0  0  0  0  0  0999 V2000
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 28 41  1  0  0  0  0
 28 42  1  0  0  0  0
 28 43  1  0  0  0  0
M  END

$$$$
D03QAQ
  -OEChem-10101305032D

 56 59  0     0  0  0  0  0  0999 V2000
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 32 33  2  0  0  0  0
 32 50  1  0  0  0  0
 33 51  1  0  0  0  0
M  END

$$$$
D03QDS
  -OEChem-04152109232D

 33 35  0     0  0  0  0  0  0999 V2000
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M  END

$$$$
D03QFD
  -OEChem-04152110482D

 69 73  0     1  0  0  0  0  0999 V2000
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  1  3  2  0  0  0  0
  1  4  2  0  0  0  0
  1  8  1  0  0  0  0
  1 25  1  0  0  0  0
  2 26  1  0  0  0  0
  5 29  1  0  0  0  0
  5 39  1  0  0  0  0
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 10 21  1  0  0  0  0
 10 22  1  0  0  0  0
 10 28  1  0  0  0  0
 11 28  1  0  0  0  0
 11 37  2  0  0  0  0
 12 35  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
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 16 45  1  0  0  0  0
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 18 23  2  0  0  0  0
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 21 53  1  0  0  0  0
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 22 55  1  0  0  0  0
 23 26  1  0  0  0  0
 23 56  1  0  0  0  0
 24 27  2  0  0  0  0
 24 57  1  0  0  0  0
 25 29  2  0  0  0  0
 25 30  1  0  0  0  0
 26 31  2  0  0  0  0
 27 31  1  0  0  0  0
 27 58  1  0  0  0  0
 28 34  2  0  0  0  0
 29 32  1  0  0  0  0
 30 33  2  0  0  0  0
 30 59  1  0  0  0  0
 31 60  1  0  0  0  0
 32 35  2  0  0  0  0
 32 61  1  0  0  0  0
 33 35  1  0  0  0  0
 33 62  1  0  0  0  0
 34 36  1  0  0  0  0
 34 63  1  0  0  0  0
 36 38  2  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 67  1  0  0  0  0
 39 68  1  0  0  0  0
 39 69  1  0  0  0  0
M  CHG  2   6  -1  12   1
M  END

$$$$
D03QGB
  -OEChem-10111523252D

 55 57  0     0  0  0  0  0  0999 V2000
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    2.8660   -5.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.4641    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7320   -2.0000    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
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    5.4641    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.3426   -4.8923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4675   -5.9750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2646   -5.9750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2520    5.5826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8535    4.8923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1 18  1  0  0  0  0
  1 21  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2 14  1  0  0  0  0
  3  9  1  0  0  0  0
  3 10  1  0  0  0  0
  3 15  1  0  0  0  0
  4  6  1  0  0  0  0
  4 24  1  0  0  0  0
  4 25  1  0  0  0  0
  5  7  1  0  0  0  0
  5 26  1  0  0  0  0
  5 27  1  0  0  0  0
  6  8  1  0  0  0  0
  6 28  1  0  0  0  0
  6 29  1  0  0  0  0
  7  8  1  0  0  0  0
  7 30  1  0  0  0  0
  7 31  1  0  0  0  0
  8 32  1  0  0  0  0
  8 33  1  0  0  0  0
  9 12  1  0  0  0  0
  9 36  1  0  0  0  0
  9 37  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 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
 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 16  1  0  0  0  0
 14 44  1  0  0  0  0
 14 45  1  0  0  0  0
 15 17  1  0  0  0  0
 15 46  1  0  0  0  0
 15 47  1  0  0  0  0
 16 18  1  0  0  0  0
 16 48  1  0  0  0  0
 16 49  1  0  0  0  0
 17 19  2  0  0  0  0
 17 20  1  0  0  0  0
 18 50  1  0  0  0  0
 18 51  1  0  0  0  0
 19 22  1  0  0  0  0
 19 52  1  0  0  0  0
 20 23  2  0  0  0  0
 20 53  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 22 54  1  0  0  0  0
 23 55  1  0  0  0  0
M  END

$$$$
D03QHG
  -OEChem-10101305022D

 47 49  0     1  0  0  0  0  0999 V2000
    6.0290   -0.5066    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -0.4720    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    2.5280    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0174    2.5626    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3914   -2.0061    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -1.9720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -1.4720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -0.4720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    0.0280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.5369   -2.4720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.4030    1.0280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7953   -1.4961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  9  1  0  0  0  0
  1 10  1  0  0  0  0
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  7 26  1  0  0  0  0
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 10 15  1  0  0  0  0
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 10 28  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 32  1  0  0  0  0
 12 33  1  0  0  0  0
 12 34  1  0  0  0  0
 13 29  1  0  0  0  0
 13 30  1  0  0  0  0
 13 31  1  0  0  0  0
 14 17  1  0  0  0  0
 14 18  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 20  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
 20 40  1  0  0  0  0
 21 23  1  0  0  0  0
 21 41  1  0  0  0  0
 22 24  2  0  0  0  0
 22 42  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
M  END

$$$$
D03QJA
          05111000172D 1   1.00000     0.00000     0

 31 35  0     1  0            999 V2000
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   -5.7068    2.3394    0.0000 C   0  0  0  0  0  0           0  0  0
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   -2.5729    2.3432    0.0000 C   0  0  0  0  0  0           0  0  0
   -2.5763    3.2513    0.0000 C   0  0  0  0  0  0           0  0  0
   -3.3667    3.7047    0.0000 C   0  0  0  0  0  0           0  0  0
   -3.3576    0.9885    0.0000 N   0  0  3  0  0  0           0  0  0
   -4.1335    0.5366    0.0000 C   0  0  0  0  0  0           0  0  0
   -2.5755    0.5404    0.0000 C   0  0  0  0  0  0           0  0  0
   -4.1312   -0.3634    0.0000 C   0  0  0  0  0  0           0  0  0
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   -3.4055   -0.8946    0.0000 C   0  0  0  0  0  0           0  0  0
   -3.6789   -1.7508    0.0000 N   0  0  3  0  0  0           0  0  0
   -4.5757   -1.7574    0.0000 C   0  0  0  0  0  0           0  0  0
   -5.0161   -2.5351    0.0000 C   0  0  0  0  0  0           0  0  0
   -4.5643   -3.3065    0.0000 C   0  0  0  0  0  0           0  0  0
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   -0.9738   -3.2830    0.0000 C   0  0  0  0  0  0           0  0  0
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   -0.9822   -1.7207    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.8848   -1.7248    0.0000 C   0  0  0  0  0  0           0  0  0
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 14 15  1  0     0  0
  1  2  2  0     0  0
  5  4  2  0     0  0
 15 18  2  0     0  0
 17 16  1  0     0  0
 16 14  2  0     0  0
 17 18  1  0     0  0
  4  1  1  0     0  0
  5 10  1  0     0  0
  6  7  1  0     0  0
  7  8  1  0     0  0
  8  9  1  0     0  0
  9 10  1  0     0  0
 17 22  1  0     0  0
 18 19  1  0     0  0
 19 20  2  0     0  0
 20 21  1  0     0  0
 21 22  2  0     0  0
 23 24  1  0     0  0
  5  6  1  0     0  0
  7 11  1  6     0  0
 11 12  1  0     0  0
  2  3  1  0     0  0
 11 13  1  0     0  0
 23 28  1  0     0  0
 24 25  1  0     0  0
 25 26  1  0     0  0
 26 27  1  0     0  0
 27 28  1  0     0  0
 22 23  1  0     0  0
  3  6  2  0     0  0
 26 29  1  0     0  0
 16 30  1  0     0  0
 12 14  1  0     0  0
 30 31  1  0     0  0
M  END

$$$$
D03QKF
  -OEChem-10101305032D

 31 32  0     0  0  0  0  0  0999 V2000
    7.7331    3.7500    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    9.4651    0.7500    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -0.7500    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
    3.4030   -0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -0.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    0.7500    0.0000 N   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   -2.2500    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
    6.0010   -2.2500    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
    4.2690   -3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    2.2500    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
    5.1350   -3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991    2.2500    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
    4.5981   -0.4400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5380   -1.9400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.0600    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
    7.7331    0.1300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    2.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5380   -3.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -4.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1360    2.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.9400    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 12  2  0  0  0  0
  4 21  1  0  0  0  0
  4 31  1  0  0  0  0
  5 21  2  0  0  0  0
  6  8  1  0  0  0  0
  6 12  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 24  1  0  0  0  0
  8  9  1  0  0  0  0
  8 11  2  0  0  0  0
  9 13  2  0  0  0  0
  9 21  1  0  0  0  0
 10 14  2  0  0  0  0
 10 15  1  0  0  0  0
 11 16  1  0  0  0  0
 11 23  1  0  0  0  0
 13 17  1  0  0  0  0
 13 25  1  0  0  0  0
 14 19  1  0  0  0  0
 14 26  1  0  0  0  0
 15 18  2  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
 18 20  1  0  0  0  0
 19 20  2  0  0  0  0
 20 30  1  0  0  0  0
M  END

$$$$
D03QMU
  -OEChem-10101305022D

 32 32  0     1  0  0  0  0  0999 V2000
    4.2599   -0.6940    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5771   -0.8836    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1609   -0.2601    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.3834    0.7148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7599    1.4967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9427   -0.8836    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7599    1.4967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8736   -0.5182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1364    0.7148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3590   -0.2601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6554   -1.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5863   -0.7764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0657   -1.1047    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9420    0.4458    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7700    1.1996    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4779   -1.2938    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2660   -1.4126    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3185    1.7657    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6220    2.1011    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8979    2.1011    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2013    1.7657    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3385   -0.1080    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5503    0.0108    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7499    1.1996    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5779    0.4458    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1906   -1.5520    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9787   -1.6708    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8128   -1.3535    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1635   -0.5499    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3598   -0.1993    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.6571    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6696   -1.4967    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1 10  2  0  0  0  0
  2 10  1  0  0  0  0
  2 31  1  0  0  0  0
  2 32  1  0  0  0  0
  3  4  1  0  0  0  0
  3  6  1  0  0  0  0
  3 13  1  0  0  0  0
  4  5  1  0  0  0  0
  4 14  1  0  0  0  0
  4 15  1  0  0  0  0
  5  7  1  0  0  0  0
  5 18  1  0  0  0  0
  5 19  1  0  0  0  0
  6  8  1  0  0  0  0
  6 16  1  0  0  0  0
  6 17  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 11  1  0  0  0  0
  8 22  1  0  0  0  0
  8 23  1  0  0  0  0
  9 10  1  0  0  0  0
  9 24  1  0  0  0  0
  9 25  1  0  0  0  0
 11 12  1  0  0  0  0
 11 26  1  0  0  0  0
 11 27  1  0  0  0  0
 12 28  1  0  0  0  0
 12 29  1  0  0  0  0
 12 30  1  0  0  0  0
M  END

$$$$
D03QNE
  -OEChem-10101305032D

 55 57  0     1  0  0  0  0  0999 V2000
   11.5263    4.5000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    1.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.0000    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
    6.3301    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.5000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.0622    1.5000    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
    8.0622    2.5000    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
    5.4641   -2.0000    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
    3.7320   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -3.0000    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
    9.7942    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    4.0000    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
    9.7942    4.5000    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
   10.6603    4.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -4.5000    0.0000 C   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
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    4.5981    0.3500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0010   -1.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    9.7942    1.8800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   11.1972    2.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942    5.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8660   -5.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4860   -4.5000    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 42  1  0  0  0  0
  3 15  1  0  0  0  0
  3 25  1  0  0  0  0
  4 18  1  0  0  0  0
  4 27  1  0  0  0  0
  5  9  1  0  0  0  0
  5 10  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 11  1  0  0  0  0
  6 28  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  9  1  0  0  0  0
  8 29  1  0  0  0  0
  8 30  1  0  0  0  0
  9 35  1  0  0  0  0
  9 36  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 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 15  2  0  0  0  0
 13 16  1  0  0  0  0
 14 17  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  2  0  0  0  0
 16 43  1  0  0  0  0
 17 21  2  0  0  0  0
 17 22  1  0  0  0  0
 18 20  2  0  0  0  0
 19 20  1  0  0  0  0
 19 44  1  0  0  0  0
 20 45  1  0  0  0  0
 21 23  1  0  0  0  0
 21 46  1  0  0  0  0
 22 24  2  0  0  0  0
 22 47  1  0  0  0  0
 23 26  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 50  1  0  0  0  0
 25 51  1  0  0  0  0
 25 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

$$$$
D03QNS
  -OEChem-10101305032D

 28 30  0     0  0  0  0  0  0999 V2000
    5.4641   -1.7327    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7320   -1.7327    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    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
    7.2241    0.3020    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
    7.2241   -1.7673    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
    8.1301   -0.2119    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
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    2.0000    1.2673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.6659    0.1002    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
    2.8660   -0.8527    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   -0.0427    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
    9.5323   -1.4489    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1 10  1  0  0  0  0
  2 12  1  0  0  0  0
  2 28  1  0  0  0  0
  3 10  2  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  7  2  0  0  0  0
  5  8  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  7 19  1  0  0  0  0
  8 14  2  0  0  0  0
  8 15  1  0  0  0  0
  9 13  2  0  0  0  0
  9 20  1  0  0  0  0
 11 12  2  0  0  0  0
 11 21  1  0  0  0  0
 12 13  1  0  0  0  0
 13 22  1  0  0  0  0
 14 16  1  0  0  0  0
 14 23  1  0  0  0  0
 15 17  2  0  0  0  0
 15 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

$$$$
D03QOD
  -OEChem-10101305022D

 30 31  0     0  0  0  0  0  0999 V2000
    2.0000    0.1900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.1900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.6900    0.0000 N   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
    4.5981    0.6900    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
    2.8660   -1.3100    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   -1.3100    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
    2.8660   -2.3100    0.0000 C   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
    4.5981   -2.3100    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
    6.3301    1.6900    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
    3.7320    0.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -1.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.4300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -1.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0611    2.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -2.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    0.3800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -2.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    2.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.4300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    2.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    2.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  2  0  0  0  0
  2  3  1  0  0  0  0
  2 30  1  0  0  0  0
  3  7  1  0  0  0  0
  3 29  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4  7  1  0  0  0  0
  4 18  1  0  0  0  0
  5  8  2  0  0  0  0
  5 10  1  0  0  0  0
  6  9  2  0  0  0  0
  6 11  1  0  0  0  0
  8 12  1  0  0  0  0
  8 19  1  0  0  0  0
  9 13  1  0  0  0  0
  9 20  1  0  0  0  0
 10 14  2  0  0  0  0
 10 21  1  0  0  0  0
 11 15  2  0  0  0  0
 11 22  1  0  0  0  0
 12 17  2  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
 14 17  1  0  0  0  0
 14 25  1  0  0  0  0
 15 16  1  0  0  0  0
 15 26  1  0  0  0  0
 16 28  1  0  0  0  0
 17 27  1  0  0  0  0
M  END

$$$$
D03QQH
  -OEChem-10191522062D

 38 40  0     0  0  0  0  0  0999 V2000
    4.2690   -4.0000    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
    3.4030    2.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -2.0000    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
    3.4030   -2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -3.5000    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
    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
    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
    3.4030    0.5000    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    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
    6.0010    2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    3.5000    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
    6.0010    4.0000    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
    5.7456   -2.6077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3471   -1.9174    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1909   -1.9174    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7924   -2.6077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3471   -4.0826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7456   -3.3923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7924   -3.3923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1909   -4.0826    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
    5.6720   -0.8100    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
    2.0000    0.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    1.3800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    3.8100    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
    6.0010    4.6200    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
  1  7  1  0  0  0  0
  1  8  1  0  0  0  0
  2 13  1  0  0  0  0
  2 33  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  9  1  0  0  0  0
  5  7  1  0  0  0  0
  5 22  1  0  0  0  0
  5 23  1  0  0  0  0
  6  8  1  0  0  0  0
  6 24  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  2  0  0  0  0
  9 11  1  0  0  0  0
 10 13  1  0  0  0  0
 10 30  1  0  0  0  0
 11 14  2  0  0  0  0
 11 31  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 12 15  1  0  0  0  0
 14 32  1  0  0  0  0
 15 16  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 34  1  0  0  0  0
 18 20  2  0  0  0  0
 18 35  1  0  0  0  0
 19 21  2  0  0  0  0
 19 36  1  0  0  0  0
 20 21  1  0  0  0  0
 20 37  1  0  0  0  0
 21 38  1  0  0  0  0
M  END

$$$$
D03QRG
  -OEChem-10101305022D

 27 28  0     0  0  0  0  0  0999 V2000
    8.0622    0.2500    0.0000 N   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
    8.0622    2.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -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
    2.8660   -1.7500    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
    3.7320   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    0.7500    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
    9.7942    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    0.7500    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    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -2.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -2.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.8700    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
    1.4631    0.0600    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
    9.4842   -0.2869    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3312   -0.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1042    0.7869    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651    2.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  0  0  0  0
  1 14  2  0  0  0  0
  2  3  2  0  0  0  0
  2 14  1  0  0  0  0
  3 15  1  0  0  0  0
  4  5  2  0  0  0  0
  4  7  1  0  0  0  0
  4 10  1  0  0  0  0
  5  6  1  0  0  0  0
  5 17  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
  7 18  1  0  0  0  0
  8  9  1  0  0  0  0
  8 19  1  0  0  0  0
  9 20  1  0  0  0  0
 10 21  1  0  0  0  0
 10 22  1  0  0  0  0
 10 23  1  0  0  0  0
 11 13  1  0  0  0  0
 11 15  2  0  0  0  0
 12 16  3  0  0  0  0
 13 24  1  0  0  0  0
 13 25  1  0  0  0  0
 13 26  1  0  0  0  0
 14 16  1  0  0  0  0
 15 27  1  0  0  0  0
M  END

$$$$
D03QRT
  -OEChem-10101305022D

 51 54  0     0  0  0  0  0  0999 V2000
    7.1892    0.1897    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7193   -0.7861    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1892   -2.8103    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7319    2.2442    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4407    0.2243    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8304   -3.7541    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3231   -2.3103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3231   -1.3103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4292   -0.7756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0552   -2.3103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4292   -2.8449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0552   -1.3103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5921    1.7342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5806    0.7343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1892   -0.8103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5231   -1.2894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5231   -2.3311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8240   -3.7346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7435    3.2442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8602    1.7543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9491   -2.8449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9491   -0.7756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8552   -1.2894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8552   -2.3311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8833    3.7541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.2643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5872   -1.2828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2014    1.6195    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8109    2.3144    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9713    0.8490    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3618    0.1542    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9812    0.5281    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9874   -0.9774    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9874   -2.6431    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1778   -4.2438    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4562    1.2840    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2532    1.2748    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3528    3.1294    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9623    3.8243    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9420   -3.4649    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9420   -0.1556    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3909   -2.6431    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1995    4.2875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3162    2.7976    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4667    2.5804    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6838    1.7309    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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 13 28  1  0  0  0  0
 13 29  1  0  0  0  0
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 14 31  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 35  1  0  0  0  0
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 20 37  1  0  0  0  0
 21 24  2  0  0  0  0
 21 40  1  0  0  0  0
 22 23  2  0  0  0  0
 22 41  1  0  0  0  0
 23 24  1  0  0  0  0
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 25 43  1  0  0  0  0
 25 47  1  0  0  0  0
 25 48  1  0  0  0  0
 26 44  1  0  0  0  0
 26 45  1  0  0  0  0
 26 46  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

$$$$
D03QSQ
  -OEChem-10101305022D

 29 29  0     1  0  0  0  0  0999 V2000
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    4.9019    1.5759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  4  1  0  0  0  0
  1  8  2  0  0  0  0
  2  8  1  0  0  0  0
  2 28  1  0  0  0  0
  2 29  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3  6  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
  5  8  1  0  0  0  0
  5 14  1  0  0  0  0
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 10 22  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
 11 27  1  0  0  0  0
M  END

$$$$
D03QTH
  -OEChem-10191521422D

 36 38  0     0  0  0  0  0  0999 V2000
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    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
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    6.3301    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.4641    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  8  1  0  0  0  0
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  2 11  1  0  0  0  0
  2 13  1  0  0  0  0
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  5  7  1  0  0  0  0
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  6 21  1  0  0  0  0
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  8 10  1  0  0  0  0
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 12 15  2  0  0  0  0
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 13 14  1  0  0  0  0
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 18 20  2  0  0  0  0
 18 34  1  0  0  0  0
 19 20  1  0  0  0  0
 19 35  1  0  0  0  0
 20 36  1  0  0  0  0
M  END

$$$$
D03QUQ
  -OEChem-04152109362D

 64 67  0     1  0  0  0  0  0999 V2000
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 24 50  1  0  0  0  0
 25 30  2  0  0  0  0
 25 51  1  0  0  0  0
 26 31  2  0  0  0  0
 26 33  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 34  1  0  0  0  0
 28 55  1  0  0  0  0
 29 32  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 35  1  0  0  0  0
 31 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  2  0  0  0  0
 34 63  1  0  0  0  0
 35 64  1  0  0  0  0
M  END

$$$$
D03QWP
  -OEChem-10101305022D

 81 83  0     1  0  0  0  0  0999 V2000
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    7.5000    0.2685    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.0000    4.5986    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0000   -2.3296    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000    0.2685    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5000    3.7326    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4000    3.1433    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -7.5258    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5000    8.9287    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    9.0000    8.0627    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0000    2.8665    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    8.0000    8.0627    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
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    6.0000    6.3306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0000   -5.7937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.0000    6.3306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5000    7.1967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.0000   -7.5258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8800    3.7326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5250    4.9971    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.0250   -2.7971    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0250   -3.5942    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3396    2.5994    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0000    2.2465    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6200    2.8665    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8800   -1.4636    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8923   -1.2081    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5826   -0.8096    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4750    0.7360    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4750    1.5330    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0250    2.3990    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0250    1.6020    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3800   -5.7937    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8100   -7.1967    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5369    0.8245    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8100    4.9277    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3800    6.3306    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 29  1  0  0  0  0
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 22 13  1  6  0  0  0
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 16 45  1  0  0  0  0
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 18 19  1  1  0  0  0
 18 24  1  0  0  0  0
 18 47  1  0  0  0  0
 19 26  1  0  0  0  0
 19 48  1  0  0  0  0
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 20 21  1  0  0  0  0
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 23 30  1  0  0  0  0
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 25 32  1  0  0  0  0
 25 42  1  1  0  0  0
 25 55  1  0  0  0  0
 26 38  2  0  0  0  0
 26 39  1  0  0  0  0
 27 35  1  0  0  0  0
 27 40  1  0  0  0  0
 28 36  2  0  0  0  0
 28 41  1  0  0  0  0
 29 59  1  0  0  0  0
 29 60  1  0  0  0  0
 32 61  1  0  0  0  0
 32 62  1  0  0  0  0
 33 34  1  0  0  0  0
 33 63  1  0  0  0  0
 33 64  1  0  0  0  0
 35 37  2  0  0  0  0
 35 65  1  0  0  0  0
 36 37  1  0  0  0  0
 36 66  1  0  0  0  0
 37 46  1  0  0  0  0
 38 43  1  0  0  0  0
 38 68  1  0  0  0  0
 39 44  2  0  0  0  0
 39 69  1  0  0  0  0
 40 70  1  0  0  0  0
 40 71  1  0  0  0  0
 40 72  1  0  0  0  0
 41 73  1  0  0  0  0
 41 74  1  0  0  0  0
 41 75  1  0  0  0  0
 43 45  2  0  0  0  0
 43 76  1  0  0  0  0
 44 45  1  0  0  0  0
 44 77  1  0  0  0  0
M  CHG  2   9  -1  16   1
M  END

$$$$
D03QXD
          03191100392D 1   1.00000     0.00000     0

 52 55  0     1  0            999 V2000
    5.5709   -9.9083    0.0000 C   0  0  0  0  0  0           0  0  0
    4.9574   -9.5542    0.0000 C   0  0  0  0  0  0           0  0  0
    5.5685  -10.6176    0.0000 C   0  0  0  0  0  0           0  0  0
    6.1812  -10.9717    0.0000 C   0  0  0  0  0  0           0  0  0
    6.7996  -10.6175    0.0000 C   0  0  0  0  0  0           0  0  0
    6.7974   -9.9054    0.0000 C   0  0  0  0  0  0           0  0  0
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    7.4114  -10.9708    0.0000 C   0  0  0  0  0  0           0  0  0
    7.4112  -11.6801    0.0000 C   0  0  0  0  0  0           0  0  0
    8.0245  -12.0333    0.0000 C   0  0  0  0  0  0           0  0  0
    8.6382  -11.6783    0.0000 C   0  0  0  0  0  0           0  0  0
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 23 24  1  0     0  0
 24 25  1  0     0  0
 25 26  1  0     0  0
 25 27  2  0     0  0
 29 28  2  0     0  0
 30 29  1  0     0  0
  5  8  1  0     0  0
  6  7  2  0     0  0
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 15  2  1  0     0  0
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 31 32  2  0     0  0
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 32 33  1  0     0  0
 33 34  2  0     0  0
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 34 35  1  0     0  0
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 35 36  2  0     0  0
 36 31  1  0     0  0
 16 17  1  0     0  0
 31 37  1  0     0  0
 34 29  1  0     0  0
 17 18  1  0     0  0
 29 38  1  0     0  0
 18 15  2  0     0  0
 38 39  1  0     0  0
  4  5  2  0     0  0
 39 40  1  0     0  0
  9 10  1  0     0  0
 39 41  1  6     0  0
 41 18  1  0     0  0
  1  3  2  0     0  0
 40 42  1  0     0  0
 10 11  2  0     0  0
 40 43  2  0     0  0
  5  6  1  0     0  0
 42 44  1  0     0  0
 11 12  1  0     0  0
 44 45  1  0     0  0
  1  2  1  0     0  0
 44 46  1  1     0  0
 12 13  2  0     0  0
 46 47  1  0     0  0
 13  8  1  0     0  0
 47 48  1  0     0  0
 19 20  1  0     0  0
 48 49  1  0     0  0
 20 21  1  1     0  0
 48 50  2  0     0  0
 21 22  2  0     0  0
 45 51  2  0     0  0
 45 19  1  0     0  0
 20 23  1  0     0  0
 21 52  1  0     0  0
M  END

$$$$
D03QYZ
  -OEChem-10101305022D

 48 51  0     1  0  0  0  0  0999 V2000
    6.4410   -1.3768    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  2 14  1  0  0  0  0
  2 36  1  0  0  0  0
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  9 32  1  0  0  0  0
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 10 30  1  0  0  0  0
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 11 28  1  0  0  0  0
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 13 34  1  0  0  0  0
 13 35  1  0  0  0  0
 15 14  1  6  0  0  0
 15 16  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 18  1  0  0  0  0
 17 40  1  0  0  0  0
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 18 42  1  0  0  0  0
 18 43  1  0  0  0  0
 19 20  1  0  0  0  0
 19 44  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
 20 48  1  0  0  0  0
M  END

$$$$
D03RBD
  -OEChem-10101305032D

 49 52  0     1  0  0  0  0  0999 V2000
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    6.8959   -3.1421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.6931    5.9521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.7620   -4.6421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4940   -4.6421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6672   -1.1267    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1 14  1  0  0  0  0
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  2 12  1  0  0  0  0
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  8 28  1  0  0  0  0
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 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
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 13 14  1  0  0  0  0
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 14 16  2  0  0  0  0
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 16 39  1  0  0  0  0
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 17 22  1  0  0  0  0
 18 40  1  0  0  0  0
 19 21  2  0  0  0  0
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 20 23  1  0  0  0  0
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 21 24  1  0  0  0  0
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 22 43  1  0  0  0  0
 22 44  1  0  0  0  0
 22 45  1  0  0  0  0
 23 24  2  0  0  0  0
 23 46  1  0  0  0  0
 24 47  1  0  0  0  0
M  END

$$$$
D03REA
  -OEChem-10101305022D

 38 40  0     0  0  0  0  0  0999 V2000
    6.3301    2.4827    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0785   -0.5519    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.5173    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    5.4641    0.9827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.5981   -0.5173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.4827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    1.9827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.0901    0.4480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 10 15  1  0  0  0  0
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 13 18  2  0  0  0  0
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 15 17  2  0  0  0  0
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 16 28  1  0  0  0  0
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 18 20  1  0  0  0  0
 18 30  1  0  0  0  0
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 20 32  1  0  0  0  0
 21 33  1  0  0  0  0
 21 34  1  0  0  0  0
 21 35  1  0  0  0  0
 22 36  1  0  0  0  0
 22 37  1  0  0  0  0
 22 38  1  0  0  0  0
M  END

$$$$
D03RFA
  -OEChem-10191523042D

 45 48  0     1  0  0  0  0  0999 V2000
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    3.5827   -1.0412    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  1 10  1  0  0  0  0
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 11  2  1  6  0  0  0
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 12  3  1  6  0  0  0
  3 43  1  0  0  0  0
  4 19  1  0  0  0  0
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 10  5  1  1  0  0  0
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  5 23  1  0  0  0  0
  6 14  1  0  0  0  0
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  6 38  1  0  0  0  0
  7 21  1  0  0  0  0
  7 23  2  0  0  0  0
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 10 11  1  0  0  0  0
 10 25  1  0  0  0  0
 11 12  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
 13 19  1  1  0  0  0
 13 28  1  0  0  0  0
 14 15  1  0  0  0  0
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 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 18  1  0  0  0  0
 16 32  1  0  0  0  0
 16 33  1  0  0  0  0
 17 18  1  0  0  0  0
 17 34  1  0  0  0  0
 17 35  1  0  0  0  0
 18 36  1  0  0  0  0
 18 37  1  0  0  0  0
 19 39  1  0  0  0  0
 19 40  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 23 41  1  0  0  0  0
 24 45  1  0  0  0  0
M  END

$$$$
D03RFS
  -OEChem-10101305022D

 48 50  0     0  0  0  0  0  0999 V2000
    4.5981    1.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    4.5981   -1.2500    0.0000 C   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
    6.3301   -1.2500    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
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    4.5981   -3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.4631    2.9400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1 12  2  0  0  0  0
  2  7  1  0  0  0  0
  2 12  1  0  0  0  0
  2 31  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3  6  1  0  0  0  0
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  4  7  1  0  0  0  0
  4 27  1  0  0  0  0
  4 28  1  0  0  0  0
  5  9  2  0  0  0  0
  5 11  1  0  0  0  0
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  6 10  1  0  0  0  0
  7 29  1  0  0  0  0
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  8 14  1  0  0  0  0
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  9 13  1  0  0  0  0
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 10 16  2  0  0  0  0
 10 34  1  0  0  0  0
 11 15  2  0  0  0  0
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 13 36  1  0  0  0  0
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 15 18  1  0  0  0  0
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 16 39  1  0  0  0  0
 17 20  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
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 20 21  2  0  0  0  0
 20 22  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
 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

$$$$
D03RGI
  -OEChem-04152122272D

 14 14  0     0  0  0  0  0  0999 V2000
    3.4030    0.2906    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2120    0.8784    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -1.2094    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    2.5369   -1.2094    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9030    1.8294    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -0.7094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5939    0.8784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9030    1.8294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0043    0.6868    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2674    2.3310    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -1.8294    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8059   -0.8994    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -1.8294    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.8994    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  6  1  0  0  0  0
  1  7  1  0  0  0  0
  2  8  2  0  0  0  0
  3  6  2  0  0  0  0
  3 11  1  0  0  0  0
  3 12  1  0  0  0  0
  4  6  1  0  0  0  0
  4 13  1  0  0  0  0
  4 14  1  0  0  0  0
  5  7  2  0  0  0  0
  5  8  1  0  0  0  0
  7  9  1  0  0  0  0
  8 10  1  0  0  0  0
M  CHG  1   3   1
M  END

$$$$
D03RGV
  -OEChem-10101305022D

 47 50  0     0  0  0  0  0  0999 V2000
    7.7105    0.2042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3958   -0.1322    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8958   -0.9982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4013   -0.0277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9785    0.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0649    0.6109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8739   -0.7903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9945    0.8859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4890   -1.9118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8445    0.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8445    1.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7105    2.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7105    3.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.9904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9785    2.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4945   -2.0163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0768   -2.7208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6044    1.6695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.9785    3.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.0463    1.8713    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    3.4234   -4.3053    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  2  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  9  1  0  0  0  0
  4  8  1  0  0  0  0
  4 27  1  0  0  0  0
  4 28  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  5 10  1  0  0  0  0
  6 29  1  0  0  0  0
  7 30  1  0  0  0  0
  8 14  1  0  0  0  0
  8 31  1  0  0  0  0
  8 32  1  0  0  0  0
  9 16  2  0  0  0  0
  9 17  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 15  2  0  0  0  0
 12 13  1  0  0  0  0
 12 18  2  0  0  0  0
 13 19  1  0  0  0  0
 13 21  2  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 20  1  0  0  0  0
 15 36  1  0  0  0  0
 16 22  1  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
 18 24  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
 21 25  1  0  0  0  0
 21 42  1  0  0  0  0
 22 26  2  0  0  0  0
 22 43  1  0  0  0  0
 23 26  1  0  0  0  0
 23 44  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
M  END

$$$$
D03RHW
  -OEChem-04152122322D

 44 45  0     0  0  0  0  0  0999 V2000
    4.5981   -1.6311    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0084   -1.9358    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.6082    1.7809    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.0084   -0.3264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.0622   -1.6311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2976    0.8304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.6311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -0.1311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5920   -1.1311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.1311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -2.1311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -1.6311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.6311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.1311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.6311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5867    1.9871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9404    2.5252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.1311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2985    1.2438    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   10.3181    0.2107    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9114    0.7430    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   10.2120   -1.1311    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   11.4589    2.5938    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1 15  2  0  0  0  0
  2  7  1  0  0  0  0
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  3  8  1  0  0  0  0
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 10 25  1  0  0  0  0
 11 26  1  0  0  0  0
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 17 20  1  0  0  0  0
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 18 38  1  0  0  0  0
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 19 41  1  0  0  0  0
 20 42  1  0  0  0  0
 20 43  1  0  0  0  0
 20 44  1  0  0  0  0
M  END

$$$$
D03RJH
  -OEChem-10101305022D

 37 39  0     0  0  0  0  0  0999 V2000
    3.8611   -0.0520    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.9836    2.7262    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9380   -1.6397    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6701   -0.6397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1701    0.8991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6701   -1.6397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5823    1.7081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4791   -0.0520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1701    0.8991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8041   -2.1397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9890    2.6217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5361   -2.1397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.8041   -3.1397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.5361   -3.1397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.4126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6701   -3.6397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.3903    3.6397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
  2 11  1  0  0  0  0
  2 21  1  0  0  0  0
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  4  6  1  0  0  0  0
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  5  7  1  0  0  0  0
  5  9  2  0  0  0  0
  6 10  1  0  0  0  0
  6 12  2  0  0  0  0
  7 11  1  0  0  0  0
  7 13  2  0  0  0  0
  8  9  1  0  0  0  0
  8 23  1  0  0  0  0
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 10 14  2  0  0  0  0
 11 15  2  0  0  0  0
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 12 24  1  0  0  0  0
 13 17  1  0  0  0  0
 13 25  1  0  0  0  0
 14 18  1  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 18  2  0  0  0  0
 16 29  1  0  0  0  0
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 17 28  1  0  0  0  0
 18 30  1  0  0  0  0
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 20 32  1  0  0  0  0
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 20 34  1  0  0  0  0
 21 35  1  0  0  0  0
 21 36  1  0  0  0  0
 21 37  1  0  0  0  0
M  END

$$$$
D03RKP
  -OEChem-10101305022D

 74 73  0     0  0  0  0  0  0999 V2000
    2.0000    0.2500    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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   11.5263   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END

$$$$
D03RKW
  -OEChem-10191522442D

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 34 78  1  0  0  0  0
M  END

$$$$
D03RLA
  -OEChem-04152109102D

105111  0     1  0  0  0  0  0999 V2000
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M  END

$$$$
D03RLJ
  -OEChem-04152122272D

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M  END

$$$$
D03RMB
  -OEChem-10101305022D

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   10.0628    5.1941    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 19  1  0  0  0  0
  1 24  1  0  0  0  0
  2 21  1  0  0  0  0
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  3 22  1  0  0  0  0
  3 45  1  0  0  0  0
  4 25  1  0  0  0  0
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  6 11  1  0  0  0  0
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  7 28  1  1  0  0  0
  8 10  2  0  0  0  0
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 10 12  1  0  0  0  0
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 11 12  1  0  0  0  0
 11 31  1  0  0  0  0
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 13 15  1  0  0  0  0
 13 18  2  0  0  0  0
 14 15  2  0  0  0  0
 14 20  1  0  0  0  0
 15 21  1  0  0  0  0
 16 19  2  0  0  0  0
 16 35  1  0  0  0  0
 17 36  1  0  0  0  0
 17 37  1  0  0  0  0
 17 38  1  0  0  0  0
 18 19  1  0  0  0  0
 18 39  1  0  0  0  0
 20 23  2  0  0  0  0
 20 40  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 41  1  0  0  0  0
 24 25  1  0  0  0  0
 24 43  1  0  0  0  0
 24 44  1  0  0  0  0
 25 46  1  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
 26 49  1  0  0  0  0
 27 50  1  0  0  0  0
 27 51  1  0  0  0  0
M  END

$$$$
D03RMI
  -OEChem-10191522212D

 34 36  0     0  0  0  0  0  0999 V2000
    2.0000    0.8916    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.5443   -0.9131    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.6279    0.7577    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.1084    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6279   -0.9744    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8550    1.6469    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.1084    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.6279   -0.9744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4939   -1.4744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4939   -0.4744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1279   -0.1084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1279   -0.1084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5443    0.6964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.3916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7320    0.8916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.1045   -1.5820    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1045   -0.3667    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.3520    1.8916    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0000   -2.7284    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6200   -2.1084    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 17  1  0  0  0  0
  2 12  1  0  0  0  0
  2 15  1  0  0  0  0
  3 11  2  0  0  0  0
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  4 20  1  0  0  0  0
  5  8  1  0  0  0  0
  5 11  1  0  0  0  0
  5 26  1  0  0  0  0
  6 13  1  0  0  0  0
  6 30  1  0  0  0  0
  6 31  1  0  0  0  0
  7 15  2  0  0  0  0
  7 19  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 21  1  0  0  0  0
  9 10  1  0  0  0  0
  9 22  1  0  0  0  0
  9 23  1  0  0  0  0
 10 24  1  0  0  0  0
 10 25  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  2  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 19  2  0  0  0  0
 18 27  1  0  0  0  0
 18 28  1  0  0  0  0
 18 29  1  0  0  0  0
 20 32  1  0  0  0  0
 20 33  1  0  0  0  0
 20 34  1  0  0  0  0
M  END

$$$$
D03RMT
  -OEChem-10101305022D

 37 37  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
    2.8660   -2.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    4.0000    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
    3.7320   -0.5000    0.0000 C   0  0  3  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
    3.7320    0.5000    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
    5.4641   -2.5000    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
    2.8660   -1.0000    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
    4.5981    2.0000    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
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    6.3301    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.4641    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.5200    1.0826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1 13  1  0  0  0  0
  1 36  1  0  0  0  0
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  6 12  1  0  0  0  0
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  7  9  1  0  0  0  0
  7 21  1  0  0  0  0
  7 22  1  0  0  0  0
  8 11  1  0  0  0  0
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 10 13  1  0  0  0  0
 10 27  1  0  0  0  0
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 11 14  2  0  0  0  0
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 13 29  1  0  0  0  0
 13 30  1  0  0  0  0
 14 16  1  0  0  0  0
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 15 17  2  0  0  0  0
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 16 18  2  0  0  0  0
 16 19  1  0  0  0  0
 17 18  1  0  0  0  0
 17 33  1  0  0  0  0
 18 34  1  0  0  0  0
M  END

$$$$
D03ROA
  -OEChem-08301509462D

 58 62  0     1  0  0  0  0  0999 V2000
    7.7331    0.9456    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.5369    0.9456    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5570   -3.8227    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    7.7851    2.9941    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3980   -0.2215    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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 10  1  1  1  0  0  0
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 13  2  1  1  0  0  0
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 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 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 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

$$$$
D03RSA
  BIDD-NUS20110812001D

 25 29  0  0  0  0  0  0  0  0999 V2000
    4.8917   -3.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1375   -3.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.3833   -3.1208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0583   -5.5708    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.7750   -4.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4000   -4.9417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0292   -2.3458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.2000   -2.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  1  1  0  0  0  0 
  3  1  1  0  0  0  0 
  4  1  1  0  0  0  0 
  5 14  1  0  0  0  0 
  6  2  2  0  0  0  0 
  3  7  1  6  0  0  0 
  8  4  1  0  0  0  0 
  9 19  1  0  0  0  0 
 10  2  1  0  0  0  0 
 11  3  1  0  0  0  0 
  4 12  1  6  0  0  0 
 13  8  1  0  0  0  0 
 11 14  1  6  0  0  0 
 15 11  1  0  0  0  0 
  1 16  1  1  0  0  0 
 17  5  1  0  0  0  0 
 18  6  1  0  0  0  0 
 19 16  1  0  0  0  0 
 20  5  2  0  0  0  0 
 21  5  2  0  0  0  0 
 22 10  2  0  0  0  0 
 23 18  2  0  0  0  0 
 24  9  1  0  0  0  0 
 25 18  1  0  0  0  0 
  7  6  1  0  0  0  0 
  8  9  1  1  0  0  0 
 12 15  2  0  0  0  0 
 13 10  1  0  0  0  0 
 23 22  1  0  0  0  0 
M  ENDM  END

$$$$
D03RSI
          06251101332D 1   1.00000     0.00000     0

 30 33  0     0  0            999 V2000
   -1.8473   -2.3458    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.8484   -3.0565    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.2336   -3.4110    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.2354   -1.9914    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.6242   -2.3422    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.6209   -3.0543    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.0059   -3.4055    0.0000 O   0  0  0  0  0  0           0  0  0
    0.6097   -3.0485    0.0000 C   0  0  0  0  0  0           0  0  0
    0.6063   -2.3364    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.0126   -1.9813    0.0000 C   0  0  0  0  0  0           0  0  0
    1.2169   -1.9811    0.0000 N   0  0  3  0  0  0           0  0  0
    1.8315   -2.3349    0.0000 C   0  0  0  0  0  0           0  0  0
    2.4418   -1.9815    0.0000 C   0  0  0  0  0  0           0  0  0
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    1.8283   -0.9191    0.0000 C   0  0  0  0  0  0           0  0  0
    1.2126   -1.2739    0.0000 C   0  0  0  0  0  0           0  0  0
    3.0564   -0.9188    0.0000 C   0  0  0  0  0  0           0  0  0
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    4.2799   -0.2135    0.0000 C   0  0  0  0  0  0           0  0  0
    6.1211    0.1428    0.0000 F   0  0  0  0  0  0           0  0  0
   -0.0169   -1.2730    0.0000 C   0  0  0  0  0  0           0  0  0
    1.2242   -3.4007    0.0000 O   0  0  0  0  0  0           0  0  0
   -1.2368   -1.2830    0.0000 O   0  0  0  0  0  0           0  0  0
   -2.4621   -3.4103    0.0000 O   0  0  0  0  0  0           0  0  0
 12 13  1  0     0  0
 13 14  1  0     0  0
 14 15  1  0     0  0
 15 16  1  0     0  0
  9 11  1  0     0  0
  4  1  1  0     0  0
 14 17  1  0     0  0
  5 10  1  0     0  0
 17 18  1  0     0  0
  6  7  1  0     0  0
 17 19  2  0     0  0
  7  8  1  0     0  0
 18 20  1  0     0  0
  8  9  1  0     0  0
 20 21  2  0     0  0
  9 10  2  0     0  0
 21 22  1  0     0  0
 11 12  1  0     0  0
 22 23  2  0     0  0
  5  6  1  0     0  0
 23 24  1  0     0  0
 24 25  2  0     0  0
 25 20  1  0     0  0
  2  3  1  0     0  0
 23 26  1  0     0  0
  3  6  2  0     0  0
 10 27  1  0     0  0
  1  2  2  0     0  0
  8 28  2  0     0  0
  5  4  2  0     0  0
  4 29  1  0     0  0
 11 16  1  0     0  0
  2 30  1  0     0  0
M  END

$$$$
D03RTC
          08210901242D 1   1.00000     0.00000     0

 39 43  0     0  0            999 V2000
    3.0250   -3.0708    0.0000 F   0  0  0  0  0  0           0  0  0
    3.7333   -3.0708    0.0000 C   0  0  3  0  0  0           0  0  0
    3.3792   -2.4574    0.0000 F   0  0  0  0  0  0           0  0  0
    0.0569   -5.1916    0.0000 C   0  0  0  0  0  0           0  0  0
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    0.6706   -6.2569    0.0000 C   0  0  0  0  0  0           0  0  0
    1.2828   -5.9019    0.0000 C   0  0  0  0  0  0           0  0  0
    1.2800   -5.1880    0.0000 C   0  0  0  0  0  0           0  0  0
    0.6688   -4.8372    0.0000 N   0  0  0  0  0  0           0  0  0
   -0.5565   -4.8374    0.0000 C   0  0  0  0  0  0           0  0  0
    1.8973   -6.2542    0.0000 C   0  0  0  0  0  0           0  0  0
    1.8963   -6.9633    0.0000 C   0  0  0  0  0  0           0  0  0
    3.1214   -6.2535    0.0000 N   0  0  3  0  0  0           0  0  0
    2.5065   -5.8973    0.0000 C   0  0  0  0  0  0           0  0  0
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    3.1217   -6.9627    0.0000 N   0  0  3  0  0  0           0  0  0
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    3.3613   -8.0792    0.0000 N   0  0  3  0  0  0           0  0  0
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   -0.5555   -8.3799    0.0000 Cl  0  0  0  0  0  0           0  0  0
 18 19  1  0     0  0
 19 20  1  0     0  0
 20 16  1  0     0  0
  5  6  1  0     0  0
 20 21  2  0     0  0
  7 11  1  0     0  0
 19 22  1  0     0  0
 11 12  2  0     0  0
 22 23  1  0     0  0
 13 24  1  0     0  0
  6  7  2  0     0  0
 24 25  1  0     0  0
  2  1  1  0     0  0
 25 26  2  0     0  0
 11 14  1  0     0  0
 26 27  1  0     0  0
 12 17  1  0     0  0
 27 28  2  0     0  0
 16 13  1  0     0  0
 28 29  1  0     0  0
 13 14  1  0     0  0
 29 30  2  0     0  0
 30 25  1  0     0  0
 28  2  1  0     0  0
  7  8  1  0     0  0
  2 31  1  0     0  0
 14 15  2  0     0  0
 26 32  1  0     0  0
 16 17  1  0     0  0
  4  5  2  0     0  0
 33 34  2  0     0  0
  8  9  2  0     0  0
 34 35  1  0     0  0
  9  4  1  0     0  0
 35 36  2  0     0  0
  3  2  1  0     0  0
 36 37  1  0     0  0
  4 10  1  0     0  0
 37 38  2  0     0  0
 38 33  1  0     0  0
 12 33  1  0     0  0
 17 18  2  0     0  0
 36 39  1  0     0  0
M  END

$$$$
D03RYU
  -OEChem-04152110232D

 27 29  0     0  0  0  0  0  0999 V2000
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    7.6648   -1.0976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    1.6345    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6648    0.6345    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0812   -0.1702    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9748    1.1714    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
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  2 10  1  0  0  0  0
  2 25  1  0  0  0  0
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  4 27  1  0  0  0  0
  5  6  2  0  0  0  0
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  7 10  2  0  0  0  0
  7 13  1  0  0  0  0
  8  9  2  0  0  0  0
  8 11  1  0  0  0  0
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 10 16  1  0  0  0  0
 11 14  2  0  0  0  0
 11 19  1  0  0  0  0
 12 15  2  0  0  0  0
 12 20  1  0  0  0  0
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 13 21  1  0  0  0  0
 14 15  1  0  0  0  0
 15 22  1  0  0  0  0
 16 18  2  0  0  0  0
 16 23  1  0  0  0  0
 17 18  1  0  0  0  0
 17 24  1  0  0  0  0
M  END

$$$$
D03RYY
  -OEChem-10191522312D

173177  0     1  0  0  0  0  0999 V2000
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   14.9194   -7.8165    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   10.6463    1.7713    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   10.6463   -1.2287    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   13.7698    4.5575    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 77151  1  0  0  0  0
 78 80  2  0  0  0  0
 78152  1  0  0  0  0
 79153  1  0  0  0  0
 79154  1  0  0  0  0
 80155  1  0  0  0  0
 82156  1  0  0  0  0
 83 84  1  0  0  0  0
 84 85  1  0  0  0  0
 84157  1  0  0  0  0
 85 87  1  0  0  0  0
 85163  1  0  0  0  0
 85164  1  0  0  0  0
 87 88  2  0  0  0  0
 88 89  1  0  0  0  0
 88171  1  0  0  0  0
 89 90  2  0  0  0  0
 89172  1  0  0  0  0
 90173  1  0  0  0  0
M  END

$$$$
D03SAM
  -OEChem-10111523242D

 20 20  0     1  0  0  0  0  0999 V2000
    2.8090   -0.6530    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2633   -0.0141    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3090    0.8858    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3122    0.2949    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.5691   -0.3743    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6180   -0.0652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1043    1.2730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3090    0.8858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.0652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4411   -0.3116    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2780   -0.9217    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0577   -0.7560    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7108    1.4019    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9754    1.8795    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4979    1.1441    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8090   -1.2730    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6734    1.3874    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4103   -0.2568    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  9  1  0  0  0  0
  1 16  1  0  0  0  0
  4  2  1  1  0  0  0
  2 17  1  0  0  0  0
  2 18  1  0  0  0  0
  3  8  1  0  0  0  0
  3  9  2  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  4 10  1  0  0  0  0
  5  6  1  0  0  0  0
  5 11  1  0  0  0  0
  5 12  1  0  0  0  0
  6  8  2  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
  8 19  1  0  0  0  0
  9 20  1  0  0  0  0
M  END

$$$$
D03SAV
  -OEChem-04152109122D

 50 52  0     1  0  0  0  0  0999 V2000
    2.0000   -3.5000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -4.5000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    1.5000    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
    8.1097    1.0933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3007    2.4945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7788    1.8364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2788    2.7024    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    1.5000    0.0000 C   0  0  2  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
    3.7320    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    3.0000    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
    3.7320   -0.5000    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
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    3.7320   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8660   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8660   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7320   -3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.1350   -3.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 24  1  0  0  0  0
  2 26  1  0  0  0  0
  3 13  2  0  0  0  0
  4  6  1  0  0  0  0
  4  7  1  0  0  0  0
  4 10  1  0  0  0  0
 11  5  1  1  0  0  0
  5 13  1  0  0  0  0
  5 14  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 29  1  0  0  0  0
  7 30  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 31  1  0  0  0  0
 10 32  1  0  0  0  0
 11 12  1  0  0  0  0
 11 37  1  0  0  0  0
 12 15  2  0  0  0  0
 12 16  1  0  0  0  0
 13 17  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 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 21  2  0  0  0  0
 18 45  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 23  1  0  0  0  0
 21 47  1  0  0  0  0
 22 24  1  0  0  0  0
 22 48  1  0  0  0  0
 23 25  2  0  0  0  0
 23 49  1  0  0  0  0
 24 26  2  0  0  0  0
 25 26  1  0  0  0  0
 25 50  1  0  0  0  0
M  END

$$$$
D03SAZ
  -OEChem-10101305032D

 35 36  0     1  0  0  0  0  0999 V2000
    6.8909   -3.2767    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    5.0298   -0.8121    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1330   -2.5722    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4608   -0.5031    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3031   -2.4676    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4888    0.7757    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4787   -4.0857    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6999   -2.6889    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0819   -3.8644    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2208    0.7757    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3548    2.2757    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2208    3.7757    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7208   -1.7632    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.4118   -0.8121    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    4.2208   -0.2243    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.3086   -2.5722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0868    1.2757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  5  1  0  0  0  0
  1  7  1  0  0  0  0
  1  8  1  0  0  0  0
  1  9  2  0  0  0  0
  2 15  1  0  0  0  0
  2 16  1  0  0  0  0
 13  3  1  1  0  0  0
  3 28  1  0  0  0  0
 14  4  1  6  0  0  0
  4 29  1  0  0  0  0
  5 17  1  0  0  0  0
  6 19  2  0  0  0  0
  7 34  1  0  0  0  0
  8 35  1  0  0  0  0
 16 10  1  6  0  0  0
 10 18  1  0  0  0  0
 10 19  1  0  0  0  0
 11 19  1  0  0  0  0
 11 21  2  0  0  0  0
 12 21  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  1  0  0  0  0
 13 22  1  0  0  0  0
 14 16  1  0  0  0  0
 14 23  1  0  0  0  0
 15 17  1  6  0  0  0
 15 24  1  0  0  0  0
 16 25  1  0  0  0  0
 17 26  1  0  0  0  0
 17 27  1  0  0  0  0
 18 20  2  0  0  0  0
 18 30  1  0  0  0  0
 20 21  1  0  0  0  0
 20 31  1  0  0  0  0
M  END

$$$$
D03SBI
  -OEChem-10101305022D

 51 54  0     0  0  0  0  0  0999 V2000
    7.1892    0.4901    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   10.3909   -2.3428    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3909   -0.6770    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1995    4.5878    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3162    3.0979    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4667    2.8808    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6838    2.0313    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3500    4.3707    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5671    3.5212    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4816   -4.5878    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3311   -4.3707    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1139   -3.5212    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  2  0  0  0  0
  2 19  1  0  0  0  0
  2 27  1  0  0  0  0
  3  7  1  0  0  0  0
  3 10  1  0  0  0  0
  3 17  1  0  0  0  0
  4  9  1  0  0  0  0
  4 15  1  0  0  0  0
  4 32  1  0  0  0  0
  5 14  1  0  0  0  0
  5 20  1  0  0  0  0
  5 21  1  0  0  0  0
  6 11  1  0  0  0  0
  6 17  2  0  0  0  0
  7  8  1  0  0  0  0
  7 11  2  0  0  0  0
  8  9  2  0  0  0  0
  8 13  1  0  0  0  0
  9 16  1  0  0  0  0
 10 12  2  0  0  0  0
 10 19  1  0  0  0  0
 11 18  1  0  0  0  0
 12 13  1  0  0  0  0
 12 22  1  0  0  0  0
 14 15  1  0  0  0  0
 14 28  1  0  0  0  0
 14 29  1  0  0  0  0
 15 30  1  0  0  0  0
 15 31  1  0  0  0  0
 16 18  2  0  0  0  0
 16 33  1  0  0  0  0
 17 34  1  0  0  0  0
 18 35  1  0  0  0  0
 19 23  2  0  0  0  0
 20 25  1  0  0  0  0
 20 38  1  0  0  0  0
 20 39  1  0  0  0  0
 21 26  1  0  0  0  0
 21 36  1  0  0  0  0
 21 37  1  0  0  0  0
 22 24  2  0  0  0  0
 22 40  1  0  0  0  0
 23 24  1  0  0  0  0
 23 41  1  0  0  0  0
 24 42  1  0  0  0  0
 25 43  1  0  0  0  0
 25 47  1  0  0  0  0
 25 48  1  0  0  0  0
 26 44  1  0  0  0  0
 26 45  1  0  0  0  0
 26 46  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

$$$$
D03SCD
  -OEChem-10101305022D

 42 44  0     0  0  0  0  0  0999 V2000
    3.9021   -2.2420    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2330   -2.9852    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7111   -3.6433    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7330   -3.8512    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7431   -0.9549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6942   -1.2639    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8157   -2.6488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6817   -2.1488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5352    0.0233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.6240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6817   -1.1488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5477   -0.6488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8157   -0.6488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6817    0.8512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5477    0.3512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8157    0.3512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6817    1.8512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5477    2.3512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8157    2.3512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5477    3.3512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8157    3.3512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6817    3.8512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2039   -0.5400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3138   -1.2423    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7805   -0.6499    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8937   -2.7314    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2923   -2.0411    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5851   -1.1633    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1417    0.1522    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4063    0.6297    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9288   -0.1056    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5392   -2.0389    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4149   -2.0848    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0846   -0.9588    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2787   -0.9588    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0846    0.6612    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2787    0.6612    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0846    2.0412    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2787    2.0412    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0846    3.6612    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2787    3.6612    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6817    4.4712    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  6  1  0  0  0  0
  1  7  1  0  0  0  0
  2  4  2  0  0  0  0
  3  4  1  0  0  0  0
  3  7  2  0  0  0  0
  5  6  1  0  0  0  0
  5  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 23  1  0  0  0  0
  6 24  1  0  0  0  0
  6 25  1  0  0  0  0
  7  8  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 29  1  0  0  0  0
  9 30  1  0  0  0  0
  9 31  1  0  0  0  0
 10 28  1  0  0  0  0
 10 32  1  0  0  0  0
 10 33  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 34  1  0  0  0  0
 13 16  2  0  0  0  0
 13 35  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 36  1  0  0  0  0
 16 37  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 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
 22 42  1  0  0  0  0
M  END

$$$$
D03SEC
  -OEChem-10101305022D

 32 33  0     0  0  0  0  0  0999 V2000
    6.0174   -0.0247    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    1.0099    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    1.0099    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8660   -1.5346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8776   -0.5347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7262   -2.0446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0290    0.9752    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    1.5099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    2.5099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7146   -3.0445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9350    1.4891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0290    3.0445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    3.0099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9350    2.5307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    1.5099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    2.5099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2567   -1.4199    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6472   -2.1148    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4869   -0.6494    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0964    0.0454    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3355   -2.1593    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9450   -1.4645    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0947   -3.0374    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7075   -3.6645    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3346   -3.0517    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4708    1.1770    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0218    3.6645    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    3.6299    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4708    2.8428    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    2.8199    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.3199    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    0.3899    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
  2  8  1  0  0  0  0
  2 15  2  0  0  0  0
  3 15  1  0  0  0  0
  3 31  1  0  0  0  0
  3 32  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4 17  1  0  0  0  0
  4 18  1  0  0  0  0
  5 19  1  0  0  0  0
  5 20  1  0  0  0  0
  6 10  1  0  0  0  0
  6 21  1  0  0  0  0
  6 22  1  0  0  0  0
  7  8  1  0  0  0  0
  7 11  2  0  0  0  0
  8  9  2  0  0  0  0
  9 12  1  0  0  0  0
  9 13  1  0  0  0  0
 10 23  1  0  0  0  0
 10 24  1  0  0  0  0
 10 25  1  0  0  0  0
 11 14  1  0  0  0  0
 11 26  1  0  0  0  0
 12 14  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 29  1  0  0  0  0
 15 16  1  0  0  0  0
 16 30  1  0  0  0  0
M  END

$$$$
D03SFB
  -OEChem-10101305022D

 30 33  0     0  0  0  0  0  0999 V2000
    4.6660    1.4831    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660   -2.5169    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0944    0.7047    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6361    1.5317    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321   -0.0169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321   -1.0169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4260    0.5178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3321    0.0040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000   -0.0169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660    0.4831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000   -1.0169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660   -1.5169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4260   -1.5515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3321   -1.0377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6651    1.6470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9061    0.5178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9061   -1.5515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.0040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1584    2.5169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.0377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4188   -2.1715    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8678   -1.3497    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7020    0.5815    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9132    1.1378    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9132   -2.1715    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6977    2.2110    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4643    3.0562    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6191    2.8227    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4643    0.3160    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4643   -1.3497    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  2  0  0  0  0
  2 12  2  0  0  0  0
  3  8  1  0  0  0  0
  3 15  1  0  0  0  0
  3 23  1  0  0  0  0
  4  7  1  0  0  0  0
  4 15  2  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  5 10  1  0  0  0  0
  6 12  1  0  0  0  0
  6 13  1  0  0  0  0
  7  8  2  0  0  0  0
  8 14  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 16  2  0  0  0  0
 11 12  1  0  0  0  0
 11 17  2  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 19  1  0  0  0  0
 16 18  1  0  0  0  0
 16 24  1  0  0  0  0
 17 20  1  0  0  0  0
 17 25  1  0  0  0  0
 18 20  2  0  0  0  0
 18 29  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 30  1  0  0  0  0
M  END

$$$$
D03SGF
          06180800062D 1   1.00000     0.00000     0

 38 42  0     0  0            999 V2000
   -4.7574   -1.5722    0.0000 C   0  0  0  0  0  0           0  0  0
   -4.7574   -2.1748    0.0000 C   0  0  0  0  0  0           0  0  0
   -4.2334   -1.2710    0.0000 N   0  0  0  0  0  0           0  0  0
   -5.2773   -1.2710    0.0000 C   0  0  0  0  0  0           0  0  0
   -5.2780   -2.4727    0.0000 C   0  0  0  0  0  0           0  0  0
   -4.2334   -2.4727    0.0000 C   0  0  0  0  0  0           0  0  0
   -4.2334   -0.6642    0.0000 C   0  0  0  0  0  0           0  0  0
   -5.2773   -0.6642    0.0000 C   0  0  0  0  0  0           0  0  0
   -5.2780   -3.0753    0.0000 C   0  0  0  0  0  0           0  0  0
   -4.2334   -3.0753    0.0000 N   0  0  0  0  0  0           0  0  0
   -3.7136   -0.3671    0.0000 N   0  0  0  0  0  0           0  0  0
   -4.7574   -0.3636    0.0000 N   0  0  0  0  0  0           0  0  0
   -4.7574   -3.3759    0.0000 C   0  0  0  0  0  0           0  0  0
   -3.1931   -0.6642    0.0000 C   0  0  0  0  0  0           0  0  0
   -2.6650   -0.3671    0.0000 C   0  0  0  0  0  0           0  0  0
   -3.1931   -1.2710    0.0000 C   0  0  0  0  0  0           0  0  0
   -2.1444   -0.6642    0.0000 C   0  0  0  0  0  0           0  0  0
   -2.6726   -1.5722    0.0000 C   0  0  0  0  0  0           0  0  0
   -3.7170   -1.5730    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.6246   -0.3706    0.0000 N   0  0  0  0  0  0           0  0  0
   -2.1444   -1.2710    0.0000 C   0  0  0  0  0  0           0  0  0
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M  END

$$$$
D03SHI
          12011000582D 1   1.00000     0.00000     0

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 10  9  1  0     0  0
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M  END

$$$$
D03SHO
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M  END

$$$$
D03SHX
  -OEChem-10101305032D

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M  END

$$$$
D03SJY
  -OEChem-10101305022D

 57 58  0     0  0  0  0  0  0999 V2000
    9.3274   -1.3800    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -2.7539    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0812   -4.5587    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.5486    2.6283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2379    1.6778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5271    2.8345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2594    1.4715    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8377    3.7850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9487    0.5210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8162    3.9912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9702    0.3148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1269    4.9418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.3704   -1.7924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6596   -0.6357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -3.2539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   15.1054    5.1480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.4030   -3.2539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -4.2539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5280    3.2479    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9348    2.7156    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2585    1.0581    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8517    1.5904    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.5476    2.2148    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.1409    2.7472    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2388    2.0912    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6456    1.5589    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.8172    4.4047    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.2239    3.8724    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   10.5626    0.4337    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.8368    3.3716    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.4301    3.9039    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   14.1063    5.5614    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.5131    5.0291    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8660   -4.5639    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1 17  2  0  0  0  0
  2 24  1  0  0  0  0
  2 57  1  0  0  0  0
  3 16  1  0  0  0  0
  3 17  1  0  0  0  0
  3 48  1  0  0  0  0
  4 19  1  0  0  0  0
  4 21  1  0  0  0  0
  4 53  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 26  1  0  0  0  0
  5 27  1  0  0  0  0
  6  8  1  0  0  0  0
  6 28  1  0  0  0  0
  6 29  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 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 17  1  0  0  0  0
 12 40  1  0  0  0  0
 12 41  1  0  0  0  0
 13 20  1  0  0  0  0
 13 42  1  0  0  0  0
 13 43  1  0  0  0  0
 14 15  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 18  1  0  0  0  0
 15 21  2  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 22  1  0  0  0  0
 19 23  1  0  0  0  0
 20 49  1  0  0  0  0
 20 50  1  0  0  0  0
 20 51  1  0  0  0  0
 21 52  1  0  0  0  0
 22 24  2  0  0  0  0
 22 54  1  0  0  0  0
 23 25  2  0  0  0  0
 23 55  1  0  0  0  0
 24 25  1  0  0  0  0
 25 56  1  0  0  0  0
M  END

$$$$
D03SKE
  -OEChem-10101305032D

 32 33  0     0  0  0  0  0  0999 V2000
    2.0000    1.2500    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.2500    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    3.2500    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    3.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -3.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    4.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -4.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.2500    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
    3.7320    1.2500    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
    4.5981    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.7500    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
    3.7320   -1.7500    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
    2.8660    2.7500    0.0000 C   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
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    4.5981   -3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1215    0.3577    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    5.1350    1.4400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -1.4400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951   -3.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    2.9400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -2.9400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    4.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0611   -4.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  1  0  0  0  0
  2 15  1  0  0  0  0
  3 17  1  0  0  0  0
  4 16  1  0  0  0  0
  4 29  1  0  0  0  0
  5 18  1  0  0  0  0
  5 30  1  0  0  0  0
  6 20  1  0  0  0  0
  6 31  1  0  0  0  0
  7 21  1  0  0  0  0
  7 32  1  0  0  0  0
  8  9  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 11  1  0  0  0  0
  9 24  1  0  0  0  0
  9 25  1  0  0  0  0
 10 12  2  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 16  1  0  0  0  0
 12 26  1  0  0  0  0
 13 17  2  0  0  0  0
 14 18  1  0  0  0  0
 14 27  1  0  0  0  0
 15 19  2  0  0  0  0
 16 20  2  0  0  0  0
 17 20  1  0  0  0  0
 18 21  2  0  0  0  0
 19 21  1  0  0  0  0
 19 28  1  0  0  0  0
M  END

$$$$
D03SLO
          06281101012D 1   1.00000     0.00000     0

 24 24  0     1  0            999 V2000
    4.3625    0.8000    0.0000 N   0  0  0  0  0  0           0  0  0
    4.7208    0.1792    0.0000 C   0  0  2  0  0  0           0  0  0
    2.8758   -0.1797    0.0000 C   0  0  0  0  0  0           0  0  0
    3.4925    0.1745    0.0000 C   0  0  0  0  0  0           0  0  0
    4.1050   -0.1755    0.0000 C   0  0  0  0  0  0           0  0  0
    5.3383   -0.1713    0.0000 C   0  0  0  0  0  0           0  0  0
    5.9550    0.1828    0.0000 C   0  0  0  0  0  0           0  0  0
    6.5716   -0.1672    0.0000 C   0  0  0  0  0  0           0  0  0
    1.6444   -0.1833    0.0000 C   0  0  0  0  0  0           0  0  0
    1.6432   -0.8982    0.0000 C   0  0  0  0  0  0           0  0  0
    2.2622   -1.2569    0.0000 C   0  0  0  0  0  0           0  0  0
    2.8787   -0.8977    0.0000 C   0  0  0  0  0  0           0  0  0
    2.2604    0.1711    0.0000 C   0  0  0  0  0  0           0  0  0
   -3.2875   -0.9167    0.0000 C   0  0  0  0  0  0           0  0  0
   -2.6708   -1.2708    0.0000 C   0  0  3  0  0  0           0  0  0
   -2.0542   -0.9125    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.4375   -1.2667    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.8208   -0.9083    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.2083   -1.2625    0.0000 C   0  0  0  0  0  0           0  0  0
    0.4083   -0.9042    0.0000 C   0  0  0  0  0  0           0  0  0
    1.0250   -1.2583    0.0000 O   0  0  0  0  0  0           0  0  0
   -2.6690   -1.9833    0.0000 C   0  0  0  0  0  0           0  0  0
    5.0750    0.8000    0.0000 C   0  0  0  0  0  0           0  0  0
    5.7875    0.8052    0.0000 O   0  0  0  0  0  0           0  0  0
  3  4  1  0     0  0
  3 13  2  0     0  0
 13  9  1  0     0  0
  6  7  1  0     0  0
 14 15  1  0     0  0
  7  8  1  0     0  0
 15 16  1  0     0  0
  4  5  1  0     0  0
 16 17  1  0     0  0
  5  2  1  0     0  0
 17 18  1  0     0  0
  9 10  2  0     0  0
 18 19  1  0     0  0
  2  1  1  0     0  0
 19 20  1  0     0  0
 10 11  1  0     0  0
 20 21  1  0     0  0
 21 10  1  0     0  0
  2  6  1  0     0  0
 15 22  1  0     0  0
 11 12  2  0     0  0
  2 23  1  6     0  0
 12  3  1  0     0  0
 23 24  1  0     0  0
M  END

$$$$
D03SMB
          01210517112D 1   1.00000     0.00000     0

 35 37  0     0  0            999 V2000
    7.1167   -0.8625    0.0000 S   0  0  3  0  0  0           0  0  0
    7.7292   -1.2125    0.0000 N   0  0  0  0  0  0           0  0  0
    2.2167   -2.2958    0.0000 C   0  0  0  0  0  0           0  0  0
    8.3417   -0.8542    0.0000 C   0  0  0  0  0  0           0  0  0
    2.8292   -1.9375    0.0000 C   0  0  0  0  0  0           0  0  0
    6.5042   -1.2208    0.0000 C   0  0  0  0  0  0           0  0  0
    6.7625   -0.2458    0.0000 O   0  0  0  0  0  0           0  0  0
    7.4750   -0.2500    0.0000 O   0  0  0  0  0  0           0  0  0
    1.6042   -1.9417    0.0000 C   0  0  0  0  0  0           0  0  0
    8.9583   -1.2083    0.0000 N   0  0  0  0  0  0           0  0  0
    2.2167   -3.0083    0.0000 C   0  0  0  0  0  0           0  0  0
    8.3375   -0.1500    0.0000 O   0  0  0  0  0  0           0  0  0
    2.8250   -1.2292    0.0000 O   0  0  0  0  0  0           0  0  0
   -0.2375   -0.8833    0.0000 F  -1  0  0  0  0  0           0  0  0
    3.4417   -2.2917    0.0000 N   0  0  0  0  0  0           0  0  0
    6.5042   -1.9292    0.0000 C   0  0  0  0  0  0           0  0  0
    5.8833   -0.8667    0.0000 C   0  0  0  0  0  0           0  0  0
    0.9917   -2.3000    0.0000 C   0  0  0  0  0  0           0  0  0
    1.6042   -3.3625    0.0000 C   0  0  0  0  0  0           0  0  0
    0.9917   -3.0083    0.0000 C   0  0  0  0  0  0           0  0  0
    5.8917   -2.2833    0.0000 C   0  0  0  0  0  0           0  0  0
    5.2750   -1.2250    0.0000 C   0  0  0  0  0  0           0  0  0
    5.2833   -1.9292    0.0000 C   0  0  0  0  0  0           0  0  0
    1.6083   -4.0708    0.0000 Br  0  0  0  0  0  0           0  0  0
    9.5708   -0.8500    0.0000 C   0  0  3  0  0  0           0  0  0
    1.6042   -1.2333    0.0000 O   0  0  0  0  0  0           0  0  0
    4.0542   -1.9333    0.0000 C   0  0  0  0  0  0           0  0  0
    0.3750   -1.2375    0.0000 C   0  0  0  0  0  0           0  0  0
    4.6708   -2.2875    0.0000 C   0  0  0  0  0  0           0  0  0
    0.9875   -0.8833    0.0000 C   0  0  0  0  0  0           0  0  0
   10.1833   -1.2042    0.0000 C   0  0  0  0  0  0           0  0  0
    9.5667   -0.1458    0.0000 C   0  0  0  0  0  0           0  0  0
   10.1792    0.2125    0.0000 C   0  0  0  0  0  0           0  0  0
   10.7958   -0.8500    0.0000 C   0  0  0  0  0  0           0  0  0
   10.7958   -0.1417    0.0000 C   0  0  0  0  0  0           0  0  0
  2  1  1  0     0  0
  3  5  1  0     0  0
  4  2  1  0     0  0
  5 15  1  0     0  0
  6  1  1  0     0  0
  7  1  2  0     0  0
  8  1  2  0     0  0
  9  3  2  0     0  0
 10  4  1  0     0  0
 11  3  1  0     0  0
 12  4  2  0     0  0
 13  5  2  0     0  0
 14 28  1  0     0  0
 15 27  1  0     0  0
 16  6  2  0     0  0
 17  6  1  0     0  0
 18  9  1  0     0  0
 19 11  2  0     0  0
 20 18  2  0     0  0
 21 16  1  0     0  0
 22 17  2  0     0  0
 23 22  1  0     0  0
 24 19  1  0     0  0
 25 10  1  0     0  0
 26  9  1  0     0  0
 27 29  1  0     0  0
 28 30  1  0     0  0
 29 23  1  0     0  0
 30 26  1  0     0  0
 31 25  1  0     0  0
 32 25  1  0     0  0
 33 32  1  0     0  0
 34 31  1  0     0  0
 35 33  1  0     0  0
 21 23  2  0     0  0
 35 34  1  0     0  0
 19 20  1  0     0  0
M  ISO  1  14  18
M  END

$$$$
D03SNI
  -OEChem-10101305022D

 46 49  0     0  0  0  0  0  0999 V2000
    4.5981   -1.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.7500    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 N   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
    4.5981   -2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.7500    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
    5.4641   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.2500    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
    4.5981    0.2500    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
    7.1962   -0.2500    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
    8.0901   -1.7847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0901    0.2847    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
    3.7320    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9962   -1.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9962   -0.2292    0.0000 C   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
    3.7320    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
    4.1306   -0.7751    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3335   -0.7751    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8101   -3.3326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2087   -2.6423    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3335   -3.7250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1306   -3.7250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6540   -1.1674    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2554   -1.8577    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -2.7131    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -3.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   -3.7869    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9875    0.3577    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3860   -0.3326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0829   -2.4046    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0829    0.9046    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    1.4400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951    1.4400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5319   -1.5829    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5319    0.0829    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
    3.1951    3.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    3.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1  6  1  0  0  0  0
  1  9  1  0  0  0  0
  2  7  1  0  0  0  0
  2  8  1  0  0  0  0
  2 10  1  0  0  0  0
  3  9  2  0  0  0  0
  3 13  1  0  0  0  0
  4 11  2  0  0  0  0
  4 14  1  0  0  0  0
  5  7  1  0  0  0  0
  5 25  1  0  0  0  0
  5 26  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 31  1  0  0  0  0
  7 32  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
 10 33  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
 12 15  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 16  2  0  0  0  0
 14 17  2  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
 16 38  1  0  0  0  0
 17 21  1  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 21  2  0  0  0  0
 20 42  1  0  0  0  0
 21 43  1  0  0  0  0
 22 24  2  0  0  0  0
 22 44  1  0  0  0  0
 23 24  1  0  0  0  0
 23 45  1  0  0  0  0
 24 46  1  0  0  0  0
M  END

$$$$
D03SNK
  -OEChem-10101305032D

 42 43  0     1  0  0  0  0  0999 V2000
    3.0000    1.1900    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.0000    1.1900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.1900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7320    4.1900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    4.1900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3301    2.6900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4641    1.1900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    2.1900    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8660    2.6900    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.7320    2.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    0.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5981    2.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8660    3.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1340   -0.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8660   -0.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -1.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1340   -1.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8660   -1.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -2.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4641    2.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1340   -3.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8660   -3.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1340   -4.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8660   -4.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -4.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8660    1.8400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3335    1.7150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1306    1.7150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4631    2.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9966    3.1650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1996    3.1650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5970    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4030    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5970   -1.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4030   -1.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5970   -3.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4030   -3.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7320    4.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5970   -4.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4030   -4.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -5.4300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8671    2.3800    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  8  1  0  0  0  0
  1 11  1  0  0  0  0
  4 13  1  0  0  0  0
  4 38  1  0  0  0  0
  5 13  2  0  0  0  0
  6 20  1  0  0  0  0
  6 42  1  0  0  0  0
  7 20  2  0  0  0  0
  8  9  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 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 14  2  0  0  0  0
 11 15  1  0  0  0  0
 12 20  1  0  0  0  0
 12 30  1  0  0  0  0
 12 31  1  0  0  0  0
 14 17  1  0  0  0  0
 14 32  1  0  0  0  0
 15 18  2  0  0  0  0
 15 33  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 16 19  1  0  0  0  0
 17 34  1  0  0  0  0
 18 35  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 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 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

$$$$
D03SNN
  -OEChem-10101305022D

 40 41  0     0  0  0  0  0  0999 V2000
    6.3301    2.2500    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    3.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.7500    0.0000 O   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
    2.8660   -3.7500    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   -2.7500    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   -1.2500    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
    4.5981   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -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
    2.8660    0.2500    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
    5.4641    3.7500    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
    5.4641    4.7500    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
    6.3301    5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    4.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0781   -4.3326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4766   -3.6423    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
    1.3894   -4.3577    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6540   -2.1674    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2554   -2.8577    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3800   -5.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -5.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6200   -5.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -1.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -1.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    0.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291    0.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951    2.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9272    5.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    3.4400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    5.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    5.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 18  1  0  0  0  0
  2  8  1  0  0  0  0
  2 10  1  0  0  0  0
  3 16  1  0  0  0  0
  3 17  1  0  0  0  0
  4 16  2  0  0  0  0
  5 11  1  0  0  0  0
  5 16  1  0  0  0  0
  5 36  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
  6 24  1  0  0  0  0
  7  9  1  0  0  0  0
  7 25  1  0  0  0  0
  7 26  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
  9 31  1  0  0  0  0
 10 12  2  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 14  1  0  0  0  0
 12 32  1  0  0  0  0
 13 15  2  0  0  0  0
 13 33  1  0  0  0  0
 14 34  1  0  0  0  0
 15 35  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 37  1  0  0  0  0
 20 22  1  0  0  0  0
 20 38  1  0  0  0  0
 21 22  2  0  0  0  0
 21 39  1  0  0  0  0
 22 40  1  0  0  0  0
M  END

$$$$
D03SPJ
  -OEChem-10101305032D

 67 71  0     1  0  0  0  0  0999 V2000
    6.9357   -1.0689    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2960    1.6947    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5038   -0.9632    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4704   -0.2343    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4445   -1.9086    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6912    0.7288    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9032    3.1606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9445   -2.7746    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4323    1.6947    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1680    5.0405    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7272    5.1904    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5259    5.8054    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5474    6.3355    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8851    5.6222    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4367    4.1738    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9445   -4.5066    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9445   -6.2387    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9445   -6.2387    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END

$$$$
D03SRV
  -OEChem-10101305022D

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M  END

$$$$
D03STO
  -OEChem-10101305022D

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 14 31  1  0  0  0  0
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 15 32  1  0  0  0  0
 16 17  1  0  0  0  0
 16 33  1  0  0  0  0
 17 34  1  0  0  0  0
M  END

$$$$
D03SUI
  -OEChem-10101305022D

 42 43  0     0  0  0  0  0  0999 V2000
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  1  8  1  0  0  0  0
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 21 22  1  0  0  0  0
 21 41  1  0  0  0  0
 22 42  1  0  0  0  0
M  END

$$$$
D03SXC
  -OEChem-10101305022D

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M  END

$$$$
D03SYO
  -OEChem-10101305022D

 24 24  0     0  0  0  0  0  0999 V2000
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 10 22  1  0  0  0  0
 11 12  1  0  0  0  0
 11 23  1  0  0  0  0
 12 24  1  0  0  0  0
M  END

$$$$
D03TBA
  -OEChem-10191522392D

 49 51  0     0  0  0  0  0  0999 V2000
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 11 17  2  0  0  0  0
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 13 32  1  0  0  0  0
 14 33  1  0  0  0  0
 15 19  1  0  0  0  0
 15 34  1  0  0  0  0
 16 20  2  0  0  0  0
 16 35  1  0  0  0  0
 17 21  1  0  0  0  0
 17 36  1  0  0  0  0
 18 22  2  0  0  0  0
 18 37  1  0  0  0  0
 19 23  2  0  0  0  0
 19 39  1  0  0  0  0
 20 23  1  0  0  0  0
 20 40  1  0  0  0  0
 21 24  2  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 43  1  0  0  0  0
 24 44  1  0  0  0  0
 26 47  1  0  0  0  0
 26 48  1  0  0  0  0
 26 49  1  0  0  0  0
M  END

$$$$
D03TDE
  -OEChem-02061504072D

 18 17  0     0  0  0  0  0  0999 V2000
    3.0000    2.6200    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.4641    0.6200    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1200    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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  1  7  1  0  0  0  0
  2  9  1  0  0  0  0
  3 18  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4 15  1  0  0  0  0
  5 16  1  0  0  0  0
  5 17  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  7 10  1  0  0  0  0
  8  9  2  0  0  0  0
  8 12  1  0  0  0  0
  9 11  1  0  0  0  0
 10 11  2  0  0  0  0
 10 13  1  0  0  0  0
 11 14  1  0  0  0  0
M  END

$$$$
D03TDN
  -OEChem-10191521302D

 32 34  0     0  0  0  0  0  0999 V2000
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    2.0000    1.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  3  1  0  0  0  0
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  2 25  1  0  0  0  0
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 10 13  1  0  0  0  0
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 14 30  1  0  0  0  0
 15 16  2  0  0  0  0
 15 31  1  0  0  0  0
 16 32  1  0  0  0  0
M  END

$$$$
D03TEJ
  -OEChem-10191522332D

 91 95  0     1  0  0  0  0  0999 V2000
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M  END

$$$$
D03TFP
  -OEChem-10101305032D

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 52104  1  0  0  0  0
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 53106  1  0  0  0  0
 53107  1  0  0  0  0
 53108  1  0  0  0  0
M  END

$$$$
D03THP
  -OEChem-10101305022D

 35 37  0     0  0  0  0  0  0999 V2000
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 10 14  1  0  0  0  0
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 20 33  1  0  0  0  0
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 20 35  1  0  0  0  0
M  END

$$$$
D03TIA
  -OEChem-10191522362D

 66 69  0     1  0  0  0  0  0999 V2000
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 31 32  1  0  0  0  0
 31 65  1  0  0  0  0
 32 66  1  0  0  0  0
M  END

$$$$
D03TJJ
  -OEChem-10191521192D

 53 56  0     0  0  0  0  0  0999 V2000
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  1 30  1  0  0  0  0
  2 31  1  0  0  0  0
  3 18  2  0  0  0  0
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  5 22  2  0  0  0  0
  6 15  1  0  0  0  0
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  8 22  1  0  0  0  0
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  8 49  1  0  0  0  0
  9 10  2  0  0  0  0
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 14 37  1  0  0  0  0
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 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
 17 19  1  0  0  0  0
 17 43  1  0  0  0  0
 17 44  1  0  0  0  0
 18 20  1  0  0  0  0
 19 45  1  0  0  0  0
 19 46  1  0  0  0  0
 20 23  2  0  0  0  0
 20 24  1  0  0  0  0
 21 25  1  0  0  0  0
 23 27  1  0  0  0  0
 23 47  1  0  0  0  0
 24 28  2  0  0  0  0
 24 48  1  0  0  0  0
 25 26  2  0  0  0  0
 25 29  1  0  0  0  0
 26 30  1  0  0  0  0
 27 31  2  0  0  0  0
 27 51  1  0  0  0  0
 28 31  1  0  0  0  0
 28 52  1  0  0  0  0
 29 32  2  0  0  0  0
 29 50  1  0  0  0  0
 30 33  2  0  0  0  0
 32 33  1  0  0  0  0
 32 53  1  0  0  0  0
M  CHG  2  10   1  11  -1
M  ISO  1   1 125
M  END

$$$$
D03TKT
  -OEChem-10191522322D

 77 80  0     1  0  0  0  0  0999 V2000
   10.1755   -4.8965    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.5133   -1.2358    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8191   -0.8756    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2578    1.3468    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5896    1.1318    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1249   -0.5155    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8456    2.1559    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3665   -0.3087    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.8565    2.3649    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6755    0.6424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.1755   -0.8965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9845   -0.3087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.1755   -1.8965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.0415   -2.3965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1435   -1.5959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6787    0.0514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3094   -3.3965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0415   -3.3965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0945   -1.9049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.1755   -3.8965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4443    3.1739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3328    0.4626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8377   -1.2358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4388    3.0694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0376    4.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0266    3.8784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6254    4.8965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6199    4.7920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9268   -0.9994    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7065   -1.1651    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    8.1608    0.4331    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3812    0.5988    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1316   -0.4492    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   10.0608    2.1127    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7466    2.9313    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9280    2.6171    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.7724    1.1533    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   11.5784   -2.0865    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   12.5498    0.6579    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2399    2.4297    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   11.5784   -3.7065    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   13.2234   -2.5113    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.0905    0.1573    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.4273   -1.4273    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4210    4.1523    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.9402    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.6432    3.8136    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3732    5.4629    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.9843    5.2936    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.4622    2.0910    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 34  1  0  0  0  0
 17  2  1  1  0  0  0
  2 62  1  0  0  0  0
 23  3  1  1  0  0  0
  3 68  1  0  0  0  0
  4 24  2  0  0  0  0
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  5 73  1  0  0  0  0
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  8 10  1  0  0  0  0
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  8 12  1  0  0  0  0
  9 24  1  0  0  0  0
  9 35  1  0  0  0  0
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 10 13  1  0  0  0  0
 10 15  2  0  0  0  0
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 22 28  2  0  0  0  0
 22 29  1  0  0  0  0
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 23 57  1  0  0  0  0
 25 36  1  0  0  0  0
 25 58  1  0  0  0  0
 25 59  1  0  0  0  0
 26 30  1  0  0  0  0
 26 60  1  0  0  0  0
 27 31  2  0  0  0  0
 27 61  1  0  0  0  0
 28 32  1  0  0  0  0
 28 63  1  0  0  0  0
 29 33  2  0  0  0  0
 29 64  1  0  0  0  0
 30 34  2  0  0  0  0
 30 66  1  0  0  0  0
 31 34  1  0  0  0  0
 31 67  1  0  0  0  0
 32 37  2  0  0  0  0
 32 69  1  0  0  0  0
 33 37  1  0  0  0  0
 33 70  1  0  0  0  0
 35 38  1  0  0  0  0
 35 39  2  0  0  0  0
 37 71  1  0  0  0  0
 38 40  2  0  0  0  0
 39 41  1  0  0  0  0
 39 72  1  0  0  0  0
 40 42  1  0  0  0  0
 40 74  1  0  0  0  0
 41 42  2  0  0  0  0
 41 75  1  0  0  0  0
 42 76  1  0  0  0  0
M  END

$$$$
D03TLR
  -OEChem-10101305022D

 31 33  0     0  0  0  0  0  0999 V2000
    2.0000    0.5823    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.1132    2.7694    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.1132    2.7694    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6132    1.2306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8532    1.5094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1 19  1  0  0  0  0
  2  3  1  0  0  0  0
  2  6  1  0  0  0  0
  3 11  2  0  0  0  0
  4  5  1  0  0  0  0
  4  6  2  0  0  0  0
  4 11  1  0  0  0  0
  5  8  2  0  0  0  0
  5  9  1  0  0  0  0
  6  7  1  0  0  0  0
  7 14  2  0  0  0  0
  7 15  1  0  0  0  0
  8 12  1  0  0  0  0
  8 20  1  0  0  0  0
  9 13  2  0  0  0  0
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 10 12  2  0  0  0  0
 10 13  1  0  0  0  0
 10 16  1  0  0  0  0
 11 22  1  0  0  0  0
 12 23  1  0  0  0  0
 13 24  1  0  0  0  0
 14 17  1  0  0  0  0
 14 25  1  0  0  0  0
 15 18  2  0  0  0  0
 15 26  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 19  2  0  0  0  0
 17 30  1  0  0  0  0
 18 19  1  0  0  0  0
 18 31  1  0  0  0  0
M  END

$$$$
D03TMD
  -OEChem-04152122272D

 36 38  0     0  0  0  0  0  0999 V2000
    6.2731   -3.2252    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.2116    1.5113    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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    5.4071   -1.7252    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8090   -1.2252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8090   -0.2252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6750   -2.7252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5411   -1.2252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3090    1.3136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.3626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8968    2.1226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3090    1.3136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.5411   -3.8452    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9440   -1.4152    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8735    3.1010    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    5.4368    4.2423    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 20  2  0  0  0  0
  2 23  1  0  0  0  0
  3 23  1  0  0  0  0
  4 23  1  0  0  0  0
  5 12  1  0  0  0  0
  5 15  1  0  0  0  0
  6 13  2  0  0  0  0
  7 14  2  0  0  0  0
  8 13  1  0  0  0  0
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  8 31  1  0  0  0  0
  9 14  1  0  0  0  0
  9 20  1  0  0  0  0
  9 32  1  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 26  1  0  0  0  0
 11 12  1  0  0  0  0
 11 27  1  0  0  0  0
 11 28  1  0  0  0  0
 12 16  2  0  0  0  0
 15 17  1  0  0  0  0
 15 18  2  0  0  0  0
 16 18  1  0  0  0  0
 16 29  1  0  0  0  0
 17 19  1  0  0  0  0
 17 21  2  0  0  0  0
 18 30  1  0  0  0  0
 19 22  2  0  0  0  0
 19 23  1  0  0  0  0
 21 24  1  0  0  0  0
 21 33  1  0  0  0  0
 22 25  1  0  0  0  0
 22 34  1  0  0  0  0
 24 25  2  0  0  0  0
 24 35  1  0  0  0  0
 25 36  1  0  0  0  0
M  END

$$$$
D03TNE
  -OEChem-10101305022D

 40 40  0     1  0  0  0  0  0999 V2000
    2.8660   -0.0600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.0600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    2.4400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    4.4400    0.0000 O   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
    6.3301    3.9400    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.9400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.5600    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.4641    1.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    2.4400    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
    6.3301    2.9400    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
    2.8660    0.9400    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
    3.7320   -3.5600    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
    3.7320   -4.5600    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
    4.8101   -0.6426    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.3860    1.5226    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9875    0.8323    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6762    0.8574    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0747    1.5477    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2520    3.0226    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8535    2.3323    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -1.7500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4860    0.9400    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
    2.2460    0.9400    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
    4.2690   -3.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7932    4.2500    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
    4.2690   -4.8700    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
    7.1962    5.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  1 15  1  0  0  0  0
  2 12  2  0  0  0  0
  3 13  2  0  0  0  0
  4  6  1  0  0  0  0
  4 40  1  0  0  0  0
  5 12  1  0  0  0  0
  5 14  1  0  0  0  0
  5 30  1  0  0  0  0
  6 13  1  0  0  0  0
  6 36  1  0  0  0  0
  7  8  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 10  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
 10 11  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
 14 16  2  0  0  0  0
 14 17  1  0  0  0  0
 15 31  1  0  0  0  0
 15 32  1  0  0  0  0
 15 33  1  0  0  0  0
 16 18  1  0  0  0  0
 16 34  1  0  0  0  0
 17 19  2  0  0  0  0
 17 35  1  0  0  0  0
 18 20  2  0  0  0  0
 18 37  1  0  0  0  0
 19 20  1  0  0  0  0
 19 38  1  0  0  0  0
 20 39  1  0  0  0  0
M  END

$$$$
D03TNT
  -OEChem-10101305032D

 55 58  0     1  0  0  0  0  0999 V2000
    4.7950    0.7792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9821    2.2787    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.7732    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9391    2.6912    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3931   -0.7208    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.3931    0.2792    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.5271   -1.2208    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.6610   -0.7208    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.7510   -1.2277    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.5271    0.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3393    0.5839    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.6610    0.2792    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.3393   -1.0256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5431   -2.2624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9229   -0.2208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7430   -2.2693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3931    1.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6451   -2.7901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8242   -0.6636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7587   -0.2277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8763   -1.1916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8076   -2.8190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8680   -2.2765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6285    1.7406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4830   -1.5661    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2664   -1.6402    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3972   -0.2958    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9256    1.2541    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    7.9018    1.0232    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6610    0.8992    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    8.8767   -1.3348    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7612   -2.8427    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0460   -3.2630    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2324   -0.1969    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4343   -0.1816    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   10.2423    1.6533    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5458    2.8190    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
 12  1  1  1  0  0  0
  1 51  1  0  0  0  0
  2 21  2  0  0  0  0
  3 24  2  0  0  0  0
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  4 55  1  0  0  0  0
  5  6  1  0  0  0  0
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  5 13  1  0  0  0  0
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  6 10  1  0  0  0  0
  6 11  1  0  0  0  0
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  7  8  1  0  0  0  0
  7 14  1  0  0  0  0
  7 27  1  1  0  0  0
  8  9  1  0  0  0  0
  8 12  1  0  0  0  0
  8 28  1  6  0  0  0
  9 16  1  0  0  0  0
  9 19  1  0  0  0  0
  9 20  1  1  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 15  1  0  0  0  0
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 11 31  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 18  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 18  1  0  0  0  0
 16 23  2  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
 19 22  1  0  0  0  0
 19 44  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
 20 48  1  0  0  0  0
 21 25  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 24  1  0  0  0  0
 23 52  1  0  0  0  0
 25 53  1  0  0  0  0
 25 54  1  0  0  0  0
M  END

$$$$
D03TOH
          02091001042D 1   1.00000     0.00000     0

 12 11  0     0  0            999 V2000
    0.2966   -0.6517    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.4172   -0.2414    0.0000 O   0  0  0  0  0  0           0  0  0
    1.0138   -0.2414    0.0000 C   0  0  0  0  0  0           0  0  0
    0.2966   -1.4793    0.0000 O   0  0  0  0  0  0           0  0  0
   -0.4172    0.5828    0.0000 C   0  0  0  0  0  0           0  0  0
    1.7276   -0.6517    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.1310    0.9966    0.0000 C   0  0  3  0  0  0           0  0  0
    2.4414   -0.2414    0.0000 C   0  0  0  0  0  0           0  0  0
    1.7276   -1.4793    0.0000 O   0  0  0  0  0  0           0  0  0
   -1.8448    0.5828    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.1310    1.8207    0.0000 O   0  0  0  0  0  0           0  0  0
   -2.5586    0.9966    0.0000 O   0  0  0  0  0  0           0  0  0
  1  2  1  0     0  0
  1  3  1  0     0  0
  1  4  2  0     0  0
  2  5  1  0     0  0
  3  6  1  0     0  0
  5  7  1  0     0  0
  6  8  1  0     0  0
  6  9  2  0     0  0
  7 10  1  0     0  0
  7 11  1  0     0  0
 10 12  1  0     0  0
M  END

$$$$
D03TOK
  -OEChem-10101305022D

 36 37  0     0  0  0  0  0  0999 V2000
    5.4641    5.7500    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
    2.8660   -2.7500    0.0000 C   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
    6.3301    3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.2500    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
    3.7320   -3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.7500    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
    2.0000   -4.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    4.2500    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
    4.5981    4.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    4.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -4.7500    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
    4.5981    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.2500    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
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    2.3291   -1.4400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    1.4400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -4.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    4.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -4.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0611    4.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -1.5600    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
    3.1951    0.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -0.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    6.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -6.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 15  1  0  0  0  0
  1 35  1  0  0  0  0
  2 16  1  0  0  0  0
  2 36  1  0  0  0  0
  3  6  2  0  0  0  0
  3  8  1  0  0  0  0
  3  9  1  0  0  0  0
  4  5  2  0  0  0  0
  4  7  1  0  0  0  0
  4 10  1  0  0  0  0
  5 12  1  0  0  0  0
  5 21  1  0  0  0  0
  6 11  1  0  0  0  0
  6 22  1  0  0  0  0
  7 14  2  0  0  0  0
  7 23  1  0  0  0  0
  8 13  2  0  0  0  0
  8 24  1  0  0  0  0
  9 17  2  0  0  0  0
  9 25  1  0  0  0  0
 10 18  2  0  0  0  0
 10 26  1  0  0  0  0
 11 16  2  0  0  0  0
 11 27  1  0  0  0  0
 12 15  2  0  0  0  0
 12 28  1  0  0  0  0
 13 16  1  0  0  0  0
 13 29  1  0  0  0  0
 14 15  1  0  0  0  0
 14 30  1  0  0  0  0
 17 19  1  0  0  0  0
 17 31  1  0  0  0  0
 18 20  1  0  0  0  0
 18 32  1  0  0  0  0
 19 20  2  0  0  0  0
 19 33  1  0  0  0  0
 20 34  1  0  0  0  0
M  END

$$$$
D03TPB
  -OEChem-10101305022D

 41 43  0     0  0  0  0  0  0999 V2000
    4.5981   -5.0000    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    1.0000    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    5.0000    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.5000    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
    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
    5.4641   -0.5000    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
    6.3301   -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
    5.4641    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
    3.7320   -3.5000    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   -3.5000    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
    4.5981   -4.0000    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
    2.8660    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
    2.0000    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
    2.0000    3.5000    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
    4.5981   -0.3800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951   -0.8100    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
    6.3301   -1.6200    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
    4.9272    0.8100    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
    3.1951   -3.8100    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
    6.0010   -3.8100    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
    4.2690    2.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    2.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    3.8100    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
  1 19  1  0  0  0  0
  2 20  1  0  0  0  0
  3 26  1  0  0  0  0
  4 14  2  0  0  0  0
  5  7  1  0  0  0  0
  5 14  1  0  0  0  0
  5 28  1  0  0  0  0
  6 14  1  0  0  0  0
  6 21  1  0  0  0  0
  6 37  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  2  0  0  0  0
  8 12  1  0  0  0  0
  9 11  2  0  0  0  0
  9 13  1  0  0  0  0
 10 15  1  0  0  0  0
 10 29  1  0  0  0  0
 11 16  1  0  0  0  0
 11 30  1  0  0  0  0
 12 17  2  0  0  0  0
 12 31  1  0  0  0  0
 13 18  2  0  0  0  0
 13 32  1  0  0  0  0
 15 19  2  0  0  0  0
 15 34  1  0  0  0  0
 16 20  2  0  0  0  0
 16 33  1  0  0  0  0
 17 19  1  0  0  0  0
 17 36  1  0  0  0  0
 18 20  1  0  0  0  0
 18 35  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 22 24  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 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
M  END

$$$$
D03TPH
  -OEChem-10101305032D

 16 17  0     0  0  0  0  0  0999 V2000
    2.0000    0.8194    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.8550    1.5747    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1279   -0.1806    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5443   -0.9853    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.3194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.6806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5443    0.6241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.8194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.1806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1279   -0.1806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.3194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.6806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7369   -1.5747    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.4394    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.8006    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -0.9906    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 10  2  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
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  5  8  1  0  0  0  0
  6  9  1  0  0  0  0
  7 10  1  0  0  0  0
  8 11  2  0  0  0  0
  8 14  1  0  0  0  0
  9 12  2  0  0  0  0
  9 15  1  0  0  0  0
 11 12  1  0  0  0  0
 12 16  1  0  0  0  0
M  END

$$$$
D03TPY
  -OEChem-04152122232D

 42 45  0     1  0  0  0  0  0999 V2000
    9.5034    1.6984    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.9070    1.9563    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5308   -0.9781    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3080   -0.9135    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    5.3718    0.3090    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.9192   -0.2579    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6117    0.0302    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.8027    0.6180    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.1117    1.5691    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.4207    0.6180    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.1117    1.5691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3021   -0.9144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.0316    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9265   -0.1929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1149    0.9781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0660    0.6691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2739   -0.3090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8091    1.3383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2250   -0.6180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7602    1.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9681    0.0511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7387   -1.9563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1128   -0.3348    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3924    0.8096    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4761    2.0707    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5177    0.0057    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1765    2.1857    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5053    1.6980    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2364   -1.5309    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9083   -1.0445    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6889    0.5680    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4340   -0.2214    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   10.0481   -0.8644    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3799    0.1569    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 20  1  0  0  0  0
  2 15  2  0  0  0  0
  3 17  1  0  0  0  0
  3 22  1  0  0  0  0
  4 12  1  0  0  0  0
  4 13  1  0  0  0  0
  4 14  1  0  0  0  0
  5 10  1  0  0  0  0
  5 15  1  0  0  0  0
  5 35  1  0  0  0  0
  6 21  1  0  0  0  0
  6 41  1  0  0  0  0
  6 42  1  0  0  0  0
  7  8  1  0  0  0  0
  7 10  1  0  0  0  0
  7 12  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 24  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 14  1  0  0  0  0
  9 25  1  0  0  0  0
 10 26  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
 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
 16 17  1  0  0  0  0
 16 18  2  0  0  0  0
 17 19  2  0  0  0  0
 18 20  1  0  0  0  0
 18 36  1  0  0  0  0
 19 21  1  0  0  0  0
 19 37  1  0  0  0  0
 20 21  2  0  0  0  0
 22 38  1  0  0  0  0
 22 39  1  0  0  0  0
 22 40  1  0  0  0  0
M  END

$$$$
D03TQD
  -OEChem-10101305022D

 46 46  0     1  0  0  0  0  0999 V2000
    2.8660   -0.0600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.0600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    2.4400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    4.4400    0.0000 O   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
    6.3301    3.9400    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.9400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.5600    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.4641    1.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    2.4400    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
    2.8660    0.9400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    2.9400    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
    2.0000    2.4400    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
    3.7320   -3.5600    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
    3.7320   -4.5600    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
    4.8101   -0.6426    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2087    0.0477    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3860    1.5226    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9875    0.8323    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8660   -5.6800    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
  1  9  1  0  0  0  0
  1 13  1  0  0  0  0
  2 12  2  0  0  0  0
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 10 11  1  0  0  0  0
 10 28  1  0  0  0  0
 10 29  1  0  0  0  0
 11 15  1  0  0  0  0
 11 30  1  0  0  0  0
 11 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 17  1  0  0  0  0
 14 34  1  0  0  0  0
 14 35  1  0  0  0  0
 16 18  2  0  0  0  0
 16 19  1  0  0  0  0
 17 37  1  0  0  0  0
 17 38  1  0  0  0  0
 17 39  1  0  0  0  0
 18 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
 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
 22 45  1  0  0  0  0
M  END

$$$$
D03TQO
  -OEChem-10101305022D

 41 44  0     0  0  0  0  0  0999 V2000
    2.0000    2.6698    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    9.8506   -2.8577    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.6698    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7320    2.6698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.6698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    3.1698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.1698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.1698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    1.1698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.1698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.3302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.7263   -0.3611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7224   -1.3611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2169    2.3244    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   11.2644   -0.0531    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2581   -1.6731    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3863   -3.1698    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
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  3 14  2  0  0  0  0
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  6 25  1  0  0  0  0
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  7  9  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
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  9 32  1  0  0  0  0
 10 13  2  0  0  0  0
 11 12  2  0  0  0  0
 11 14  1  0  0  0  0
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 13 14  1  0  0  0  0
 13 33  1  0  0  0  0
 15 16  2  0  0  0  0
 15 18  1  0  0  0  0
 15 19  1  0  0  0  0
 16 34  1  0  0  0  0
 17 18  2  0  0  0  0
 17 35  1  0  0  0  0
 18 36  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 37  1  0  0  0  0
 21 23  2  0  0  0  0
 21 38  1  0  0  0  0
 22 24  2  0  0  0  0
 23 24  1  0  0  0  0
 23 39  1  0  0  0  0
 24 40  1  0  0  0  0
M  END

$$$$
D03TRM
  -OEChem-10101305032D

 27 29  0     0  0  0  0  0  0999 V2000
    6.3758    1.6684    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.5763    0.5837    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2619   -1.2059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783   -2.0106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783   -0.4012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.7059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.7059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9889    0.5494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.2059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.2059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9674    0.7556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.7059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.7059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7094    0.0852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3701    1.5622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7227   -1.6206    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.5749    1.0108    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.8259    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 15  1  0  0  0  0
  1 25  1  0  0  0  0
  2 14  1  0  0  0  0
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  3  4  1  0  0  0  0
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  3 16  1  0  0  0  0
  3 17  1  0  0  0  0
  4  6  1  0  0  0  0
  4 18  1  0  0  0  0
  4 19  1  0  0  0  0
  5  7  1  0  0  0  0
  5  8  2  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
  8 11  1  0  0  0  0
  8 20  1  0  0  0  0
  9 12  1  0  0  0  0
  9 21  1  0  0  0  0
 10 13  1  0  0  0  0
 10 22  1  0  0  0  0
 11 14  2  0  0  0  0
 12 13  2  0  0  0  0
 12 23  1  0  0  0  0
 13 24  1  0  0  0  0
 14 26  1  0  0  0  0
 15 27  1  0  0  0  0
M  END

$$$$
D03TRO
  -OEChem-10121500492D

 44 47  0     0  0  0  0  0  0999 V2000
    9.7619   -1.3660    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    9.7619    0.3660    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.7619    3.8301    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2619   -0.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    5.7619   -3.0981    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    4.6783    3.7688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.4641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    3.4641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2619    2.9641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.9641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7619    2.0981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1 23  1  0  0  0  0
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  4 21  1  0  0  0  0
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  5  8  1  0  0  0  0
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 10 11  2  0  0  0  0
 10 13  1  0  0  0  0
 12 14  1  0  0  0  0
 13 15  2  0  0  0  0
 13 34  1  0  0  0  0
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 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
 18 20  2  0  0  0  0
 18 38  1  0  0  0  0
 19 21  2  0  0  0  0
 19 22  1  0  0  0  0
 20 21  1  0  0  0  0
 20 39  1  0  0  0  0
 22 24  3  0  0  0  0
 23 40  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 26 41  1  0  0  0  0
 27 28  2  0  0  0  0
 27 42  1  0  0  0  0
 28 29  1  0  0  0  0
 28 43  1  0  0  0  0
 29 44  1  0  0  0  0
M  END

$$$$
D03TSY
  -OEChem-10191522072D

 42 43  0     0  0  0  0  0  0999 V2000
    5.9641    3.1149    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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 18 39  1  0  0  0  0
 19 40  1  0  0  0  0
 19 41  1  0  0  0  0
 19 42  1  0  0  0  0
M  END

$$$$
D03TTT
  -OEChem-04152109522D

 43 46  0     0  0  0  0  0  0999 V2000
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 23 39  1  0  0  0  0
 24 40  1  0  0  0  0
 25 41  1  0  0  0  0
M  END

$$$$
D03TUM
  -OEChem-10191522282D

 67 66  0     0  0  0  0  0  0999 V2000
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 15 19  2  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
 16 50  1  0  0  0  0
 17 24  1  0  0  0  0
 17 52  1  0  0  0  0
 17 53  1  0  0  0  0
 18 21  2  0  0  0  0
 18 54  1  0  0  0  0
 19 20  1  0  0  0  0
 19 55  1  0  0  0  0
 20 23  1  0  0  0  0
 20 56  1  0  0  0  0
 20 57  1  0  0  0  0
 21 22  1  0  0  0  0
 21 58  1  0  0  0  0
 22 26  1  0  0  0  0
 22 59  1  0  0  0  0
 22 60  1  0  0  0  0
 23 27  2  0  0  0  0
 23 61  1  0  0  0  0
 25 27  1  0  0  0  0
 25 28  1  0  0  0  0
 25 62  1  0  0  0  0
 25 63  1  0  0  0  0
 26 28  2  0  0  0  0
 26 64  1  0  0  0  0
 27 65  1  0  0  0  0
 28 66  1  0  0  0  0
M  END

$$$$
D03TUX
  -OEChem-10191522202D

 24 24  0     1  0  0  0  0  0999 V2000
    5.4641    1.0950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.0950    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.0950    0.0000 C   0  0  1  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
    2.8660   -0.4050    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   -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
    3.7320   -1.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    1.4050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.2554    0.4873    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1996    0.1201    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9966    0.1201    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    2.4050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951    2.4050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8660   -3.0250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    0.7850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1 24  1  0  0  0  0
  3  2  1  6  0  0  0
  2 17  1  0  0  0  0
  2 18  1  0  0  0  0
  3  4  1  0  0  0  0
  3  6  1  0  0  0  0
  3 12  1  0  0  0  0
  4  5  1  0  0  0  0
  4 13  1  0  0  0  0
  4 14  1  0  0  0  0
  5  7  2  0  0  0  0
  5  8  1  0  0  0  0
  6 15  1  0  0  0  0
  6 16  1  0  0  0  0
  7  9  1  0  0  0  0
  7 19  1  0  0  0  0
  8 10  2  0  0  0  0
  8 20  1  0  0  0  0
  9 11  2  0  0  0  0
  9 21  1  0  0  0  0
 10 11  1  0  0  0  0
 10 22  1  0  0  0  0
 11 23  1  0  0  0  0
M  END

$$$$
D03TWR
  -OEChem-10191522052D

 47 50  0     0  0  0  0  0  0999 V2000
    5.5972   -0.0426    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4632   -1.5426    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3293   -0.0426    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9696    0.5498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2964    1.6632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6537    2.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3268    1.3159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1953   -0.5426    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5972   -2.0426    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2812    1.8368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6276   -0.3899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3293    0.9574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3293   -2.0426    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5972   -3.0426    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0613   -0.0426    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3420    1.1422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9957    3.3689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3293   -3.0426    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1953    1.4574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6428   -0.5635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6233    2.7765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.0613    0.9574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.2025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.9544    0.7235    0.0000 B   0  0  0  0  0  0  0  0  0  0  0  0
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    3.5389    1.8985    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    6.7923    1.2674    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0261   -0.8648    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6798    1.3619    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5972    3.8439    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9435    1.6172    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2338    2.8842    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    6.1925    4.1252    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  9  2  0  0  0  0
  2 13  1  0  0  0  0
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  4  7  2  0  0  0  0
  4 11  1  0  0  0  0
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  6 17  1  0  0  0  0
  6 31  1  0  0  0  0
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  8 15  1  0  0  0  0
  8 29  1  0  0  0  0
  9 14  1  0  0  0  0
  9 28  1  0  0  0  0
 10 21  2  0  0  0  0
 10 35  1  0  0  0  0
 11 20  2  0  0  0  0
 11 34  1  0  0  0  0
 12 19  2  0  0  0  0
 12 33  1  0  0  0  0
 13 18  2  0  0  0  0
 13 32  1  0  0  0  0
 14 22  2  0  0  0  0
 14 39  1  0  0  0  0
 15 23  2  0  0  0  0
 15 38  1  0  0  0  0
 16 24  2  0  0  0  0
 16 37  1  0  0  0  0
 17 25  2  0  0  0  0
 17 36  1  0  0  0  0
 18 22  1  0  0  0  0
 18 43  1  0  0  0  0
 19 23  1  0  0  0  0
 19 42  1  0  0  0  0
 20 24  1  0  0  0  0
 20 41  1  0  0  0  0
 21 25  1  0  0  0  0
 21 40  1  0  0  0  0
 22 44  1  0  0  0  0
 23 45  1  0  0  0  0
 24 46  1  0  0  0  0
 25 47  1  0  0  0  0
M  END

$$$$
D03TYC
  -OEChem-10101305022D

 28 28  0     1  0  0  0  0  0999 V2000
    2.5369   -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
    4.2690   -2.0000    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
    6.0010    2.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    1.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    0.5000    0.0000 C   0  0  1  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
    3.4030   -0.5000    0.0000 C   0  0  2  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
    4.2690   -1.0000    0.0000 C   0  0  0  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    1.0000    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
    5.1350    1.1200    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
    4.8059   -1.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  9  1  1  6  0  0  0
  1 24  1  0  0  0  0
 10  2  1  6  0  0  0
  2 25  1  0  0  0  0
  3 11  1  0  0  0  0
  3 26  1  0  0  0  0
  4 12  1  0  0  0  0
  4 27  1  0  0  0  0
  5 13  1  0  0  0  0
  5 28  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6 19  1  0  0  0  0
  7  9  1  0  0  0  0
  7 12  1  1  0  0  0
  7 14  1  0  0  0  0
  8 10  1  0  0  0  0
  8 13  1  6  0  0  0
  8 15  1  0  0  0  0
  9 11  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 20  1  0  0  0  0
 12 21  1  0  0  0  0
 13 22  1  0  0  0  0
 13 23  1  0  0  0  0
M  END

$$$$
D03TYE
  -OEChem-10101305022D

 36 37  0     0  0  0  0  0  0999 V2000
    6.3301    0.5000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -2.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8660   -2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 19 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

$$$$
D03TYT
          01091000062D 1   1.00000     0.00000     0

 30 34  0     0  0            999 V2000
   -0.1318   -3.7773    0.0000 C   0  0  0  0  0  0           0  0  0
    0.4831   -4.1319    0.0000 C   0  0  0  0  0  0           0  0  0
    1.0953   -3.7769    0.0000 C   0  0  0  0  0  0           0  0  0
    1.0925   -3.0630    0.0000 C   0  0  0  0  0  0           0  0  0
    1.7023   -2.7060    0.0000 N   0  0  3  0  0  0           0  0  0
    2.3168   -3.0601    0.0000 C   0  0  0  0  0  0           0  0  0
    2.9272   -2.7069    0.0000 C   0  0  0  0  0  0           0  0  0
    2.9286   -1.9983    0.0000 N   0  0  3  0  0  0           0  0  0
    2.3141   -1.6442    0.0000 C   0  0  0  0  0  0           0  0  0
    1.6983   -1.9988    0.0000 C   0  0  0  0  0  0           0  0  0
    3.5422   -1.6444    0.0000 C   0  0  0  0  0  0           0  0  0
    4.1554   -1.9989    0.0000 C   0  0  0  0  0  0           0  0  0
    4.7690   -1.6450    0.0000 C   0  0  0  0  0  0           0  0  0
    5.3823   -1.9995    0.0000 O   0  0  0  0  0  0           0  0  0
    5.9959   -1.6456    0.0000 C   0  0  0  0  0  0           0  0  0
    6.6058   -2.0010    0.0000 N   0  0  0  0  0  0           0  0  0
    6.6021   -0.5843    0.0000 C   0  0  0  0  0  0           0  0  0
    5.9915   -0.9396    0.0000 C   0  0  0  0  0  0           0  0  0
    7.2197   -0.9386    0.0000 C   0  0  0  0  0  0           0  0  0
    7.2184   -1.6445    0.0000 C   0  0  0  0  0  0           0  0  0
    7.8281   -1.9971    0.0000 N   0  0  0  0  0  0           0  0  0
    8.4395   -1.6448    0.0000 C   0  0  0  0  0  0           0  0  0
    8.4375   -0.9362    0.0000 C   0  0  0  0  0  0           0  0  0
    7.8273   -0.5868    0.0000 C   0  0  0  0  0  0           0  0  0
    9.0533   -1.9983    0.0000 O   0  0  0  0  0  0           0  0  0
   -0.1306   -3.0666    0.0000 C   0  0  0  0  0  0           0  0  0
    0.4811   -2.7081    0.0000 C   0  0  0  0  0  0           0  0  0
    0.3292   -2.0155    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.3765   -1.9460    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.6606   -2.5956    0.0000 C   0  0  0  0  0  0           0  0  0
 13 14  1  0     0  0
 14 15  1  0     0  0
  3  4  1  0     0  0
 15 16  1  0     0  0
 16 20  2  0     0  0
  4 27  2  0     0  0
 19 17  2  0     0  0
  5 10  1  0     0  0
 17 18  1  0     0  0
 18 15  2  0     0  0
  6  7  1  0     0  0
  7  8  1  0     0  0
 19 20  1  0     0  0
  8  9  1  0     0  0
 20 21  1  0     0  0
  9 10  1  0     0  0
 21 22  1  0     0  0
  4  5  1  0     0  0
 22 23  1  0     0  0
  5  6  1  0     0  0
 23 24  2  0     0  0
 24 19  1  0     0  0
  8 11  1  0     0  0
 22 25  2  0     0  0
 26 27  1  0     0  0
  1  2  1  0     0  0
 11 12  1  0     0  0
 26  1  2  0     0  0
 12 13  1  0     0  0
  2  3  2  0     0  0
 27 28  1  0     0  0
 28 29  1  0     0  0
 29 30  1  0     0  0
 30 26  1  0     0  0
M  END

$$$$
D03TYV
  -OEChem-10101305022D

 29 30  0     0  0  0  0  0  0999 V2000
    2.0000   -0.5000    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.5000    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.5000    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    0.5000    0.0000 Br  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
    5.4641    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    2.5000    0.0000 O   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
    4.5981    1.0000    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
    4.5981    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
    5.4641    0.5000    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
    5.4641    2.5000    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
    6.3301    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
    6.3301    2.0000    0.0000 C   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
    5.1350   -0.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0611    2.3100    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
    4.9272    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
    7.1962    3.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 14  1  0  0  0  0
  2 15  1  0  0  0  0
  3 18  1  0  0  0  0
  4 19  1  0  0  0  0
  5 16  1  0  0  0  0
  5 26  1  0  0  0  0
  6 17  1  0  0  0  0
  6 27  1  0  0  0  0
  7 20  1  0  0  0  0
  7 28  1  0  0  0  0
  8 21  1  0  0  0  0
  8 29  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 22  1  0  0  0  0
  9 23  1  0  0  0  0
 10 12  2  0  0  0  0
 10 14  1  0  0  0  0
 11 13  2  0  0  0  0
 11 15  1  0  0  0  0
 12 16  1  0  0  0  0
 12 24  1  0  0  0  0
 13 17  1  0  0  0  0
 13 25  1  0  0  0  0
 14 18  2  0  0  0  0
 15 19  2  0  0  0  0
 16 20  2  0  0  0  0
 17 21  2  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
M  END

$$$$
D03UCC
  -OEChem-10101305022D

 27 26  0     1  0  0  0  0  0999 V2000
    4.5981   -0.5670    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
    3.7320   -1.0670    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0981    0.2990    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0981   -1.4330    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.0670    0.0000 N   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
    5.4641    0.9330    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
    6.3301    1.4330    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
    2.0000   -1.0670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2520    1.5156    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8535    0.8254    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9316   -1.0419    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7287   -1.0419    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5062   -0.6039    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    0.2430    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8862    0.4699    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6401    0.8961    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    1.7430    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0201    1.9700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2646   -0.0920    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4675   -0.0920    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4781    0.2990    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -0.5301    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -1.3770    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   -1.6039    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  5  1  0  0  0  0
  2 10  1  0  0  0  0
  3 24  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  6  8  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 12  1  0  0  0  0
  7 13  1  0  0  0  0
  8 16  1  0  0  0  0
  8 17  1  0  0  0  0
  8 18  1  0  0  0  0
  9 19  1  0  0  0  0
  9 20  1  0  0  0  0
  9 21  1  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
 11 25  1  0  0  0  0
 11 26  1  0  0  0  0
 11 27  1  0  0  0  0
M  END

$$$$
D03UCG
 OpenBabel06211915332D

 42 46  0  0  0  0  0  0  0  0999 V2000
   -6.0622    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1962    2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3301    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3301    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1962   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0622    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9282    2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9282   -0.0000    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -5.1962   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3301   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4641   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5981   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7321   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7321   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5981    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4641   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5981    1.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8660    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7942    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6603    2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6603    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7942    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9282    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4641    2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4641    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3301    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3301    4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4641    5.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5981    4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5981    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8660   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7321   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7321    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8660    0.5000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.8660    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000    2.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7321    2.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5981   -2.5000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -5.1962    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0622    5.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  7  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  9  1  0  0  0  0
  6  1  1  0  0  0  0
  6  8  1  0  0  0  0
  7 20  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 12 40  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 14 18  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 16 11  1  0  0  0  0
 17 25  1  0  0  0  0
 18 19  1  0  0  0  0
 19 32  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24  7  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 28 41  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 31 26  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 19  1  0  0  0  0
 36 37  1  6  0  0  0
 37 38  2  0  0  0  0
 37 39  1  0  0  0  0
 41 42  3  0  0  0  0
M  END

$$$$
D03UFD
  -OEChem-04152109032D

 50 56  0     1  0  0  0  0  0999 V2000
    4.7095   -0.3150    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9191    1.3026    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5381    0.6048    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5124    2.1199    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    6.5432   -1.8547    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0682    0.6289    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.9343    1.1289    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.9343    2.1289    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.7031   -0.2954    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.8652    0.9988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2022    1.1289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6256    0.4295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0682    2.6289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7815    1.7945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2022    2.1289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4953   -0.8782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4155   -0.5313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3083    0.5943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 26 47  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
M  END

$$$$
D03UHT
  -OEChem-10101305022D

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 22 51  1  0  0  0  0
 22 52  1  0  0  0  0
 23 25  1  0  0  0  0
 23 53  1  0  0  0  0
 24 25  2  0  0  0  0
M  END

$$$$
D03UIF
  -OEChem-10101305032D

 47 47  0     1  0  0  0  0  0999 V2000
    5.1350    0.4050    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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 23 41  1  0  0  0  0
 23 42  1  0  0  0  0
 23 43  1  0  0  0  0
M  END

$$$$
D03UIR
  -OEChem-10101305022D

 31 30  0     1  0  0  0  0  0999 V2000
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 16 29  1  0  0  0  0
 16 30  1  0  0  0  0
 16 31  1  0  0  0  0
M  END

$$$$
D03UJT
  -OEChem-10191521212D

 67 68  0     1  0  0  0  0  0999 V2000
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 31 65  1  0  0  0  0
 31 66  1  0  0  0  0
 31 67  1  0  0  0  0
M  END

$$$$
D03UJW
  -OEChem-10101305022D

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 14 41  1  0  0  0  0
 15 20  1  0  0  0  0
 15 42  1  0  0  0  0
 16 21  2  0  0  0  0
 16 43  1  0  0  0  0
 17 22  2  0  0  0  0
 17 44  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 23  2  0  0  0  0
 19 48  1  0  0  0  0
 20 24  2  0  0  0  0
 20 49  1  0  0  0  0
 21 23  1  0  0  0  0
 21 50  1  0  0  0  0
 22 24  1  0  0  0  0
 22 51  1  0  0  0  0
 23 52  1  0  0  0  0
 24 53  1  0  0  0  0
M  END

$$$$
D03URI
  -OEChem-10191522122D

 67 71  0     0  0  0  0  0  0999 V2000
   13.0619   -1.3170    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660   -1.5849    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660    2.4151    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7889    2.1703    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0619   -1.3170    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.9279   -0.8170    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1959   -1.8170    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   12.5619   -0.4510    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321   -0.0849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.0619   -3.0490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.5619   -3.9151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0619   -3.0490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5619   -3.9151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2272   -0.9566    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.9132   -1.2396    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9132    2.0697    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2519   -0.9879    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2519    1.8180    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4643   -0.4178    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    9.8719   -0.9879    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   13.2519   -4.4520    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   14.8719   -4.4520    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  9  1  0  0  0  0
  1 34  1  0  0  0  0
  2 13  1  0  0  0  0
  2 28  1  0  0  0  0
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  3 29  1  0  0  0  0
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 10 11  1  0  0  0  0
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 11 40  1  0  0  0  0
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 18 22  1  0  0  0  0
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 23 24  2  0  0  0  0
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 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
 25 30  1  0  0  0  0
 26 48  1  0  0  0  0
 27 49  1  0  0  0  0
 28 31  1  0  0  0  0
 28 50  1  0  0  0  0
 28 51  1  0  0  0  0
 29 32  1  0  0  0  0
 29 52  1  0  0  0  0
 29 53  1  0  0  0  0
 30 33  1  0  0  0  0
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 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
 32 59  1  0  0  0  0
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 32 61  1  0  0  0  0
 34 35  2  0  0  0  0
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 35 37  1  0  0  0  0
 35 63  1  0  0  0  0
 36 38  2  0  0  0  0
 36 64  1  0  0  0  0
 37 39  2  0  0  0  0
 37 65  1  0  0  0  0
 38 39  1  0  0  0  0
 38 66  1  0  0  0  0
 39 67  1  0  0  0  0
M  END

$$$$
D03UTI
  -OEChem-10101305022D

 15 16  0     0  0  0  0  0  0999 V2000
    2.8660    1.6970    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783   -1.1077    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2619   -0.3030    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.1970    0.0000 C   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
    2.8660    0.6970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.3030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783    0.5018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.1970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.8030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.9230    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8709    1.0911    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8709   -1.6970    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    0.5070    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -1.1130    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  2  3  1  0  0  0  0
  2  5  1  0  0  0  0
  2 13  1  0  0  0  0
  3  8  2  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  4  8  1  0  0  0  0
  5  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 12  1  0  0  0  0
  9 10  1  0  0  0  0
  9 14  1  0  0  0  0
 10 15  1  0  0  0  0
M  END

$$$$
D03UUO
  -OEChem-10101305022D

 39 40  0     0  0  0  0  0  0999 V2000
    2.5369   -3.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -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
    5.1350   -1.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    0.0000    0.0000 N   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
    7.7331    2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991    4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1 21  1  0  0  0  0
  1 39  1  0  0  0  0
  2 21  2  0  0  0  0
  3  8  1  0  0  0  0
  3 11  1  0  0  0  0
  3 28  1  0  0  0  0
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  4 13  1  0  0  0  0
  4 32  1  0  0  0  0
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  5 13  2  0  0  0  0
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  6 18  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 22  1  0  0  0  0
  7 23  1  0  0  0  0
  8 24  1  0  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 29  1  0  0  0  0
 10 30  1  0  0  0  0
 10 31  1  0  0  0  0
 12 14  1  0  0  0  0
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 13 16  1  0  0  0  0
 14 17  2  0  0  0  0
 14 21  1  0  0  0  0
 15 19  1  0  0  0  0
 15 33  1  0  0  0  0
 16 18  2  0  0  0  0
 16 34  1  0  0  0  0
 17 20  1  0  0  0  0
 17 35  1  0  0  0  0
 18 36  1  0  0  0  0
 19 20  2  0  0  0  0
 19 37  1  0  0  0  0
 20 38  1  0  0  0  0
M  END

$$$$
D03UVR
  -OEChem-10191521212D

 54 57  0     1  0  0  0  0  0999 V2000
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   10.4442    1.9503    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    9.8022    3.2104    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    9.1841    1.3083    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331   -2.0194    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    5.1350   -0.5194    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    6.9241    2.5684    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.2331    3.5194    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2331    3.5194    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -1.0194    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.4030   -0.5194    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    3.4030    0.4806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -1.0194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 12  7  1  1  0  0  0
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 19 22  1  0  0  0  0
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 20 23  2  0  0  0  0
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 22 47  1  0  0  0  0
 23 26  1  0  0  0  0
 23 48  1  0  0  0  0
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 28 51  1  0  0  0  0
 29 52  1  0  0  0  0
 30 32  1  0  0  0  0
 31 53  1  0  0  0  0
 31 54  1  0  0  0  0
M  ISO  1   1  18
M  END

$$$$
D03UXO
  -OEChem-10191522302D

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  1 10  1  0  0  0  0
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  2 11  2  0  0  0  0
  3  9  2  0  0  0  0
  3 16  1  0  0  0  0
  4 14  1  0  0  0  0
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  5 16  1  0  0  0  0
  5 27  1  0  0  0  0
  5 28  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6 10  1  0  0  0  0
  6 18  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
  8 22  1  0  0  0  0
  9 12  1  0  0  0  0
 10 13  2  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 23  1  0  0  0  0
 14 24  1  0  0  0  0
 15 17  2  0  0  0  0
 15 25  1  0  0  0  0
 17 26  1  0  0  0  0
M  END

$$$$
D03UYO
  -OEChem-10191521522D

 71 72  0     1  0  0  0  0  0999 V2000
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 28 32  2  0  0  0  0
 28 33  1  0  0  0  0
 29 31  2  0  0  0  0
 29 64  1  0  0  0  0
 30 31  1  0  0  0  0
 30 65  1  0  0  0  0
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 33 35  2  0  0  0  0
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 34 69  1  0  0  0  0
 35 36  1  0  0  0  0
 35 70  1  0  0  0  0
 36 71  1  0  0  0  0
M  END

$$$$
D03UZZ
  -OEChem-10101305032D

 29 30  0     0  0  0  0  0  0999 V2000
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    3.7320   -1.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  3  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3 21  1  0  0  0  0
  4 18  3  0  0  0  0
  5  7  1  0  0  0  0
  5  8  1  0  0  0  0
  5  9  2  0  0  0  0
  6 10  1  0  0  0  0
  6 11  2  0  0  0  0
  8 12  2  0  0  0  0
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  9 14  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 25  1  0  0  0  0
 12 15  1  0  0  0  0
 12 18  1  0  0  0  0
 13 17  1  0  0  0  0
 13 19  1  0  0  0  0
 14 15  2  0  0  0  0
 15 26  1  0  0  0  0
 16 17  2  0  0  0  0
 16 27  1  0  0  0  0
 17 28  1  0  0  0  0
 19 20  3  0  0  0  0
 20 29  1  0  0  0  0
M  END

$$$$
D03VAA
  -OEChem-10101305022D

 32 35  0     0  0  0  0  0  0999 V2000
    6.0812    2.5852    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1536    0.8114    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1648    2.6465    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    2.7804    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0948   -2.1604    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.6648    1.7804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3628   -0.1604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.2288   -1.6604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.7657   -0.3504    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   11.0948   -2.7804    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.4704    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
  2  8  1  0  0  0  0
  2 10  1  0  0  0  0
  3 14  2  0  0  0  0
  4 20  1  0  0  0  0
  4 32  1  0  0  0  0
  5 19  1  0  0  0  0
  5 31  1  0  0  0  0
  6 10  2  0  0  0  0
  6 13  1  0  0  0  0
  6 16  1  0  0  0  0
  7 11  2  0  0  0  0
  7 12  1  0  0  0  0
  7 15  1  0  0  0  0
  8 13  2  0  0  0  0
  8 14  1  0  0  0  0
  9 12  2  0  0  0  0
  9 14  1  0  0  0  0
 10 17  1  0  0  0  0
 11 18  1  0  0  0  0
 12 24  1  0  0  0  0
 13 23  1  0  0  0  0
 15 21  2  0  0  0  0
 15 26  1  0  0  0  0
 16 22  2  0  0  0  0
 16 25  1  0  0  0  0
 17 19  2  0  0  0  0
 17 27  1  0  0  0  0
 18 20  2  0  0  0  0
 18 28  1  0  0  0  0
 19 22  1  0  0  0  0
 20 21  1  0  0  0  0
 21 30  1  0  0  0  0
 22 29  1  0  0  0  0
M  END

$$$$
D03VAO
  -OEChem-10101305032D

 28 30  0     0  0  0  0  0  0999 V2000
    2.0000   -0.5173    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    8.9942    0.4585    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.5173    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    5.4641    2.4827    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    6.3301    1.9827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.0173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.1301    0.9619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.3291   -2.3273    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 17  1  0  0  0  0
  2 12  1  0  0  0  0
  3  7  1  0  0  0  0
  3  9  1  0  0  0  0
  3 20  1  0  0  0  0
  4  7  2  0  0  0  0
  4 16  1  0  0  0  0
  5  8  1  0  0  0  0
  5 16  2  0  0  0  0
  6  7  1  0  0  0  0
  6  8  2  0  0  0  0
  6 10  1  0  0  0  0
  8 11  1  0  0  0  0
  9 14  2  0  0  0  0
  9 15  1  0  0  0  0
 10 12  2  0  0  0  0
 10 21  1  0  0  0  0
 11 13  2  0  0  0  0
 11 22  1  0  0  0  0
 12 13  1  0  0  0  0
 13 23  1  0  0  0  0
 14 17  1  0  0  0  0
 14 24  1  0  0  0  0
 15 18  2  0  0  0  0
 15 25  1  0  0  0  0
 16 26  1  0  0  0  0
 17 19  2  0  0  0  0
 18 19  1  0  0  0  0
 18 27  1  0  0  0  0
 19 28  1  0  0  0  0
M  END

$$$$
D03VBJ
  -OEChem-10191521412D

 40 40  0     1  0  0  0  0  0999 V2000
    8.1654   -1.4235    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    4.2111   -2.3235    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4712   -1.0634    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4432    2.2153    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 10 18  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
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 15 24  1  0  0  0  0
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 16 27  1  0  0  0  0
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 17 30  1  0  0  0  0
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 17 32  1  0  0  0  0
 18 20  1  0  0  0  0
 18 33  1  0  0  0  0
 21 36  1  0  0  0  0
 21 37  1  0  0  0  0
M  END

$$$$
D03VDJ
  BIDD-NUS20110812001D

  5  4  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0083    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  2  1  1  0  0  0  0 
  3  1  2  0  0  0  0 
  4  1  2  0  0  0  0 
  5  1  1  0  0  0  0 
M  ENDM  END

$$$$
D03VDM
  -OEChem-10101305032D

 46 49  0     0  0  0  0  0  0999 V2000
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 26 46  1  0  0  0  0
M  END

$$$$
D03VDX
          05031000162D 1   1.00000     0.00000     0

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 13 21  2  0     0  0
M  END

$$$$
D03VEQ
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M  END

$$$$
D03VFP
  -OEChem-04152110272D

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252498  1  0  0  0  0
M  END

$$$$
D03VGO
  -OEChem-10191522112D

 56 61  0     1  0  0  0  0  0999 V2000
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 29 30  1  0  0  0  0
 30 54  1  0  0  0  0
 31 32  2  0  0  0  0
 31 55  1  0  0  0  0
 32 56  1  0  0  0  0
M  END

$$$$
D03VGR
  -OEChem-10191522302D

 93 92  0     1  0  0  0  0  0999 V2000
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M  END

$$$$
D03VHK
  -OEChem-10191522182D

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M  END

$$$$
D03VHO
  -OEChem-10101305022D

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M  END

$$$$
D03VHX
  -OEChem-10101305022D

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M  END

$$$$
D03VIS
  -OEChem-10101305032D

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  2  5  1  0  0  0  0
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  3 10  1  0  0  0  0
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 13 15  2  0  0  0  0
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 14 30  1  0  0  0  0
 15 16  1  0  0  0  0
 15 31  1  0  0  0  0
 16 32  1  0  0  0  0
M  END

$$$$
D03VMX
  -OEChem-10191522122D

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   14.9904    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1928    3.9750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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 18 41  1  0  0  0  0
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 20 24  1  0  0  0  0
 20 43  1  0  0  0  0
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 21 22  2  0  0  0  0
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 22 45  1  0  0  0  0
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 25 47  1  0  0  0  0
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 29 32  2  0  0  0  0
 29 50  1  0  0  0  0
 31 33  2  0  0  0  0
 31 51  1  0  0  0  0
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 35 37  1  0  0  0  0
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 36 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
M  END

$$$$
D03VNZ
  -OEChem-10101305022D

 20 22  0     0  0  0  0  0  0999 V2000
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  1  9  2  0  0  0  0
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 12 14  2  0  0  0  0
 12 17  1  0  0  0  0
 14 20  1  0  0  0  0
M  END

$$$$
D03VOB
  -OEChem-04152110312D

 37 38  0     1  0  0  0  0  0999 V2000
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  9 21  2  0  0  0  0
 10 20  1  0  0  0  0
 10 21  1  0  0  0  0
 10 33  1  0  0  0  0
 11 21  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 16  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 15  1  0  0  0  0
 14 25  1  0  0  0  0
 14 26  1  0  0  0  0
 15 27  1  0  0  0  0
 15 28  1  0  0  0  0
 16 29  1  0  0  0  0
 16 30  1  0  0  0  0
 16 31  1  0  0  0  0
 17 18  2  0  0  0  0
 18 20  1  0  0  0  0
 19 32  1  0  0  0  0
M  END

$$$$
D03VOM
  -OEChem-10101305022D

 46 46  0     0  0  0  0  0  0999 V2000
    3.7320    2.7500    0.0000 O   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
    3.7320   -2.2500    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
    4.5981   -1.7500    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
    4.5981   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -4.7500    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
    3.7320   -0.2500    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
    5.4641    2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.7500    0.0000 C   0  0  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
    2.0000   -5.2500    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
    6.3301    5.2500    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
    3.5200   -1.6674    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1215   -2.3577    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9441   -3.8326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3426   -3.1423    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8101   -2.3326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2087   -1.6423    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6540   -3.1674    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2554   -3.8577    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0781   -5.3326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4766   -4.6423    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -0.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951   -0.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6762    2.1674    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0747    2.8577    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2520    4.3326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8535    3.6423    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
    3.1951    1.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -4.7131    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -5.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   -5.7869    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8862    3.2131    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    3.4400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5062    4.2869    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9501    5.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    5.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7101    5.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 17  2  0  0  0  0
  2 13  1  0  0  0  0
  2 18  1  0  0  0  0
  2 19  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3 20  1  0  0  0  0
  3 21  1  0  0  0  0
  4  6  1  0  0  0  0
  4 22  1  0  0  0  0
  4 23  1  0  0  0  0
  5  7  1  0  0  0  0
  5 24  1  0  0  0  0
  5 25  1  0  0  0  0
  6  8  1  0  0  0  0
  6 26  1  0  0  0  0
  6 27  1  0  0  0  0
  7  9  2  0  0  0  0
  7 10  1  0  0  0  0
  8 16  1  0  0  0  0
  8 28  1  0  0  0  0
  8 29  1  0  0  0  0
  9 14  1  0  0  0  0
  9 30  1  0  0  0  0
 10 15  2  0  0  0  0
 10 31  1  0  0  0  0
 11 14  2  0  0  0  0
 11 15  1  0  0  0  0
 11 17  1  0  0  0  0
 12 13  1  0  0  0  0
 12 17  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 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
 18 44  1  0  0  0  0
 18 45  1  0  0  0  0
 18 46  1  0  0  0  0
 19 41  1  0  0  0  0
 19 42  1  0  0  0  0
 19 43  1  0  0  0  0
M  END

$$$$
D03VPS
  -OEChem-10121501562D

 47 49  0     0  0  0  0  0  0999 V2000
    2.0000    3.2500    0.0000 O   0  5  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
    3.7320    0.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    3.7500    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.2500    0.0000 N   0  0  0  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
    2.8660    1.7500    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
    2.8660    0.7500    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    3.2500    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
    4.5981    3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    4.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    4.7500    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
    4.5981   -2.2500    0.0000 C   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   -3.7500    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
    6.3301   -4.2500    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
    7.1962   -3.7500    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
    4.2690    2.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2087    1.6423    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8101    2.3326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6540    2.3326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2554    1.6423    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8101    0.1674    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2087    0.8577    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2554    0.8577    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6540    0.1674    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1215   -0.6423    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5200   -1.3326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    3.4400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -0.9400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291    5.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    5.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    5.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9272   -4.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -1.6300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331   -2.4400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331   -4.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7101   -5.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -5.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9501   -5.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  2 17  2  0  0  0  0
  3  9  1  0  0  0  0
  3 10  1  0  0  0  0
  3 12  1  0  0  0  0
  4 11  1  0  0  0  0
  4 14  2  0  0  0  0
  5 12  1  0  0  0  0
  5 17  1  0  0  0  0
  5 37  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
  6 25  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 10  1  0  0  0  0
  8 26  1  0  0  0  0
  8 27  1  0  0  0  0
  9 32  1  0  0  0  0
  9 33  1  0  0  0  0
 10 30  1  0  0  0  0
 10 31  1  0  0  0  0
 11 13  2  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
 14 16  1  0  0  0  0
 14 38  1  0  0  0  0
 15 16  2  0  0  0  0
 15 39  1  0  0  0  0
 16 40  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 41  1  0  0  0  0
 20 22  1  0  0  0  0
 20 42  1  0  0  0  0
 21 23  1  0  0  0  0
 21 24  1  0  0  0  0
 22 23  2  0  0  0  0
 22 43  1  0  0  0  0
 23 44  1  0  0  0  0
 24 45  1  0  0  0  0
 24 46  1  0  0  0  0
 24 47  1  0  0  0  0
M  CHG  2   1  -1   4   1
M  END

$$$$
D03VQC
  -OEChem-10101305022D

 33 33  0     0  0  0  0  0  0999 V2000
    6.3301   -0.2500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.2500    0.0000 N   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
    7.1962   -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
    8.0622   -3.2500    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
    5.4641    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.2500    0.0000 C   0  0  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
    4.5981    1.7500    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
    3.7320    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.7500    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
    6.6592   -2.4400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8067   -1.8577    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4082   -1.1674    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7196   -1.1423    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1181   -1.8326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7522   -3.7869    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991   -3.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0201   -2.7131    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7932   -3.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6401   -3.7869    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3722   -2.7131    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    1.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951   -0.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7741    2.7131    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    3.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1541    3.7869    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  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 15  3  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
  4 17  1  0  0  0  0
  5  6  1  0  0  0  0
  5 18  1  0  0  0  0
  5 19  1  0  0  0  0
  6 20  1  0  0  0  0
  6 21  1  0  0  0  0
  7 22  1  0  0  0  0
  7 23  1  0  0  0  0
  7 27  1  0  0  0  0
  8 24  1  0  0  0  0
  8 25  1  0  0  0  0
  8 26  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 10 12  1  0  0  0  0
 10 28  1  0  0  0  0
 11 14  2  0  0  0  0
 11 29  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 14 30  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
M  END

$$$$
D03VQF
  -OEChem-10101305022D

 65 67  0     1  0  0  0  0  0999 V2000
    8.0901   -0.2847    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    2.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0785    2.7846    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9884   -1.7708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.4525   -1.7842    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.7500    0.0000 C   0  0  1  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
    6.3301   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9962    0.2292    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.1962    0.2500    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
    8.9962    1.2708    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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 33 62  1  0  0  0  0
 33 63  1  0  0  0  0
 33 64  1  0  0  0  0
M  END

$$$$
D03VRC
  -OEChem-10101305022D

 22 23  0     0  0  0  0  0  0999 V2000
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  1 13  1  0  0  0  0
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 10 13  2  0  0  0  0
 10 20  1  0  0  0  0
 11 13  1  0  0  0  0
 11 21  1  0  0  0  0
 12 22  1  0  0  0  0
M  END

$$$$
D03VSJ
  -OEChem-10101305022D

 95100  0     1  0  0  0  0  0999 V2000
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 50 51  2  0  0  0  0
 50 94  1  0  0  0  0
 51 95  1  0  0  0  0
M  END

$$$$
D03VSQ
  -OEChem-10101305022D

 63 65  0     1  0  0  0  0  0999 V2000
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    9.4720   -2.1058    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   10.2145   -0.8294    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   10.6635   -2.4296    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
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 20 21  1  0  0  0  0
 21 41  1  0  0  0  0
 22 27  2  0  0  0  0
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 25 29  2  0  0  0  0
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 28 30  2  0  0  0  0
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 29 30  1  0  0  0  0
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 31 53  1  0  0  0  0
 31 54  1  0  0  0  0
 31 55  1  0  0  0  0
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 33 59  1  0  0  0  0
 33 60  1  0  0  0  0
 33 61  1  0  0  0  0
M  END

$$$$
D03VUQ
  -OEChem-10101305032D

 31 32  0     0  0  0  0  0  0999 V2000
    3.7320    3.5950    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.7320    3.5950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 10 12  2  0  0  0  0
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 15 26  1  0  0  0  0
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 16 27  1  0  0  0  0
 17 19  1  0  0  0  0
 17 30  1  0  0  0  0
 18 19  1  0  0  0  0
 18 31  1  0  0  0  0
M  END

$$$$
D03VUU
  -OEChem-10101305022D

 37 39  0     0  0  0  0  0  0999 V2000
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  1  9  1  0  0  0  0
  1 18  1  0  0  0  0
  1 34  1  0  0  0  0
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  3 10  2  0  0  0  0
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  5 20  1  0  0  0  0
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  7 12  2  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 15  1  0  0  0  0
 10 26  1  0  0  0  0
 11 14  1  0  0  0  0
 11 27  1  0  0  0  0
 12 16  1  0  0  0  0
 12 29  1  0  0  0  0
 13 17  1  0  0  0  0
 13 28  1  0  0  0  0
 14 16  2  0  0  0  0
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 16 32  1  0  0  0  0
 17 33  1  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
M  END

$$$$
D03VUV
          04161100062D 1   1.00000     0.00000     0

 42 47  0     0  0            999 V2000
    1.1421   -7.0576    0.0000 N   0  0  3  0  0  0           0  0  0
    1.7546   -7.4118    0.0000 C   0  0  0  0  0  0           0  0  0
    2.3671   -7.0576    0.0000 C   0  0  0  0  0  0           0  0  0
    2.9796   -7.4118    0.0000 C   0  0  0  0  0  0           0  0  0
    3.5921   -7.0576    0.0000 C   0  0  0  0  0  0           0  0  0
    4.2042   -7.4083    0.0000 O   0  0  0  0  0  0           0  0  0
    3.5896   -6.3464    0.0000 O   0  0  0  0  0  0           0  0  0
    0.5293   -7.4129    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.0814   -7.0617    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.0846   -6.3539    0.0000 O   0  0  0  0  0  0           0  0  0
    0.5283   -5.9987    0.0000 C   0  0  0  0  0  0           0  0  0
    1.1443   -6.3512    0.0000 C   0  0  0  0  0  0           0  0  0
    4.3417   -9.6354    0.0000 C   0  0  0  0  0  0           0  0  0
    4.7913   -9.0518    0.0000 C   0  0  2  0  0  0           0  0  0
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    5.4334   -8.1167    0.0000 C   0  0  2  0  0  0           0  0  0
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    6.1063   -8.3851    0.0000 C   0  0  0  0  0  0           0  0  0
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   10.3375   -5.2584    0.0000 O   0  0  0  0  0  0           0  0  0
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  5  7  2  0     0  0
  1  8  1  0     0  0
  4  5  1  0     0  0
  2  3  1  0     0  0
  1 12  1  0     0  0
  8  9  1  0     0  0
  9 10  1  0     0  0
 10 11  1  0     0  0
 11 12  1  0     0  0
  1  2  1  0     0  0
  6  5  1  0     0  0
  3  4  1  0     0  0
 15 17  1  0     0  0
 16 18  1  0     0  0
 17 18  1  0     0  0
 19 20  1  0     0  0
 15 19  1  0     0  0
 14 21  1  0     0  0
 18 22  1  0     0  0
 22 20  1  0     0  0
 20 21  1  0     0  0
 18 23  1  6     0  0
 15 24  1  1     0  0
 14 25  1  6     0  0
 13 14  1  0     0  0
 20 26  1  1     0  0
 27 26  2  0     0  0
 28 27  1  0     0  0
 29 30  1  0     0  0
 30 32  2  0     0  0
 31 26  1  0     0  0
 32 39  1  0     0  0
 33 28  1  0     0  0
 34 36  1  0     0  0
 35 29  2  0     0  0
 36 31  2  0     0  0
 37 33  2  0     0  0
 38 33  1  0     0  0
 39 42  1  0     0  0
 40 29  1  0     0  0
 41 37  1  0     0  0
 42 38  2  0     0  0
  6 31  1  0     0  0
 34 28  2  0     0  0
 41 39  2  0     0  0
 13 15  1  0     0  0
 14 16  1  0     0  0
M  END

$$$$
D03VYO
  -OEChem-10101305032D

 31 33  0     0  0  0  0  0  0999 V2000
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    5.8169    1.2758    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3830    0.3749    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7595   -0.4070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9491    1.2758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0065   -0.4070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3830    0.3749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9820   -1.3819    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7840   -1.3819    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7690   -0.0846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5125    2.1021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2295   -2.1021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9970   -0.0846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5365   -2.1021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.5342   -1.8027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5053    1.7088    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    5.0247    1.7528    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8617    2.6144    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    7.1280    0.5214    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3916   -2.7049    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    7.9871   -2.2262    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  7  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  8  1  0  0  0  0
  4 10  2  0  0  0  0
  5 11  1  0  0  0  0
  5 19  1  0  0  0  0
  5 20  1  0  0  0  0
  6  7  1  0  0  0  0
  6  9  1  0  0  0  0
  6 13  2  0  0  0  0
  8 12  2  0  0  0  0
  9 14  2  0  0  0  0
 10 15  1  0  0  0  0
 10 21  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 16  1  0  0  0  0
 12 25  1  0  0  0  0
 13 17  1  0  0  0  0
 13 26  1  0  0  0  0
 14 18  1  0  0  0  0
 14 27  1  0  0  0  0
 15 16  2  0  0  0  0
 15 28  1  0  0  0  0
 16 29  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

$$$$
D03VYU
  -OEChem-04152110392D

 37 39  0     1  0  0  0  0  0999 V2000
    6.4783   -1.0720    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0619   -0.2673    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000   -0.7673    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.8000    0.2327    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.6660   -1.2673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321    0.2327    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.6660    0.7327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321   -0.7673    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.9061   -1.3020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9061    0.7674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.7881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000   -1.7673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.8048    0.8527    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1  8  1  0  0  0  0
  1 15  1  0  0  0  0
  2 15  2  0  0  0  0
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  3 12  1  0  0  0  0
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  4 10  1  0  0  0  0
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  7 22  1  0  0  0  0
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 10 13  1  0  0  0  0
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 11 13  1  0  0  0  0
 11 27  1  0  0  0  0
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 13 32  1  0  0  0  0
 13 33  1  0  0  0  0
 14 15  1  0  0  0  0
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 16 34  1  0  0  0  0
 16 35  1  0  0  0  0
 17 36  1  0  0  0  0
 17 37  1  0  0  0  0
M  END

$$$$
D03VZF
  -OEChem-10101305022D

 17 17  0     0  0  0  0  0  0999 V2000
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    3.4030    2.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    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
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  1  9  1  0  0  0  0
  1 17  1  0  0  0  0
  2  5  1  0  0  0  0
  3  5  2  0  0  0  0
  4 12  2  0  0  0  0
  5  6  1  0  0  0  0
  6  8  1  0  0  0  0
  6  9  2  0  0  0  0
  7  8  2  0  0  0  0
  7 10  1  0  0  0  0
  7 12  1  0  0  0  0
  8 13  1  0  0  0  0
  9 11  1  0  0  0  0
 10 11  2  0  0  0  0
 10 14  1  0  0  0  0
 11 15  1  0  0  0  0
 12 16  1  0  0  0  0
M  CHG  2   2  -1   5   1
M  END

$$$$
D03WAE
  -OEChem-10191522502D

 35 37  0     0  0  0  0  0  0999 V2000
    8.9282   -1.2673    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -0.2673    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.2673    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8660   -1.7673    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    9.7942    1.2327    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
    8.9282   -0.2673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.0622    1.2327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6882   -0.3020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7320   -0.2673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.6810   -0.9220    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6810    2.3873    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7287    0.7076    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9316    0.7076    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.1300   -0.1002    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.1300    1.5656    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
    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
    1.4631   -1.5773    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  2  8  1  0  0  0  0
  2 16  1  0  0  0  0
  3 17  2  0  0  0  0
  4 17  1  0  0  0  0
  4 18  1  0  0  0  0
  4 31  1  0  0  0  0
  5 20  1  0  0  0  0
  5 22  2  0  0  0  0
  6  7  1  0  0  0  0
  6  9  1  0  0  0  0
  6 12  2  0  0  0  0
  7 10  1  0  0  0  0
  7 13  2  0  0  0  0
  8  9  2  0  0  0  0
  8 11  1  0  0  0  0
 10 11  2  0  0  0  0
 10 23  1  0  0  0  0
 11 24  1  0  0  0  0
 12 14  1  0  0  0  0
 12 25  1  0  0  0  0
 13 15  1  0  0  0  0
 13 26  1  0  0  0  0
 14 15  2  0  0  0  0
 14 29  1  0  0  0  0
 15 30  1  0  0  0  0
 16 17  1  0  0  0  0
 16 27  1  0  0  0  0
 16 28  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 32  1  0  0  0  0
 20 33  1  0  0  0  0
 21 22  1  0  0  0  0
 21 34  1  0  0  0  0
 22 35  1  0  0  0  0
M  END

$$$$
D03WBD
  -OEChem-04152110242D

168172  0     1  0  0  0  0  0999 V2000
   14.1313    2.8652    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END

$$$$
D03WBX
  -OEChem-10191522272D

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 18  5  1  1  0  0  0
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M  END

$$$$
D03WCT
          09071000072D 1   1.00000     0.00000     0

 33 36  0     0  0            999 V2000
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  9  8  1  0     0  0
 10  9  1  0     0  0
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 14  9  2  0     0  0
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 31 30  1  0     0  0
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 33 32  1  0     0  0
 28 30  1  0     0  0
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 12 16  1  0     0  0
  1  8  1  0     0  0
M  END

$$$$
D03WDY
  -OEChem-10101305032D

 21 22  0     0  0  0  0  0  0999 V2000
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    2.0000   -2.5194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.5194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.0194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.4806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2320    3.0194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -1.2094    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -1.2094    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.1706    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -2.8294    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -2.8294    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.6394    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5965    3.5210    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  7  2  0  0  0  0
  3  7  1  0  0  0  0
  3 13  1  0  0  0  0
  3 17  1  0  0  0  0
  4  5  1  0  0  0  0
  4 13  2  0  0  0  0
  5 14  2  0  0  0  0
  6  7  1  0  0  0  0
  6  8  2  0  0  0  0
  6  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 15  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
 10 18  1  0  0  0  0
 11 12  1  0  0  0  0
 11 19  1  0  0  0  0
 12 20  1  0  0  0  0
 14 21  1  0  0  0  0
M  END

$$$$
D03WEN
  -OEChem-10101305022D

 35 36  0     0  0  0  0  0  0999 V2000
    6.8671    4.5000    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    1.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    1.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -2.0000    0.0000 N   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
    5.1350   -1.5000    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
    3.4030   -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
    5.1350    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -2.0000    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
    6.0010    3.0000    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
    6.0010    4.0000    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
    5.1350    4.5000    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
    6.8671   -3.5000    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
    5.6720   -0.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8660   -1.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6720    1.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5380   -1.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5380    2.6900    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
    3.7320    4.3100    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
    2.0000   -0.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4040   -3.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -4.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4040   -4.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 17  1  0  0  0  0
  2 10  1  0  0  0  0
  2 32  1  0  0  0  0
  3 11  2  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 26  1  0  0  0  0
  6  8  1  0  0  0  0
  6 20  1  0  0  0  0
  6 27  1  0  0  0  0
  7  9  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 13  1  0  0  0  0
  9 23  1  0  0  0  0
 10 14  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 24  1  0  0  0  0
 14 25  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
 18 19  1  0  0  0  0
 18 30  1  0  0  0  0
 19 31  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 33  1  0  0  0  0
 22 34  1  0  0  0  0
 22 35  1  0  0  0  0
M  END

$$$$
D03WGD
  -OEChem-10101305022D

 50 53  0     1  0  0  0  0  0999 V2000
    4.5981   -0.5755    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4350    2.7095    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.5755    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.1716    1.7268    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.9128    0.7609    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    9.7448    0.0021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0036    0.9680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5686    0.9190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3776   -0.4822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.0755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9350    3.5755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.5755    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.7320   -2.0755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -2.0755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.5755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.0755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -1.5755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -3.0755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.0755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.5755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -2.0755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -3.5755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.0755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -3.0755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1432    1.1075    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0018    0.1473    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5949    0.7816    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2156    1.5506    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5327   -0.5805    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3361   -0.1843    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4664    1.5305    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.9441    0.2622    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    1.4631   -1.7655    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -4.1955    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    3.4030   -0.2655    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
  1 12  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2 11  1  0  0  0  0
  3 15  1  0  0  0  0
  3 48  1  0  0  0  0
  3 49  1  0  0  0  0
  4  7  1  0  0  0  0
  4  8  1  0  0  0  0
  4 25  1  0  0  0  0
  5  6  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 29  1  0  0  0  0
  6 30  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 31  1  0  0  0  0
  8 32  1  0  0  0  0
  9 10  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
 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 14  1  0  0  0  0
 12 39  1  0  0  0  0
 13 15  1  0  0  0  0
 13 16  2  0  0  0  0
 14 17  2  0  0  0  0
 14 18  1  0  0  0  0
 15 19  2  0  0  0  0
 16 20  1  0  0  0  0
 16 40  1  0  0  0  0
 17 21  1  0  0  0  0
 17 41  1  0  0  0  0
 18 22  2  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 23  2  0  0  0  0
 20 44  1  0  0  0  0
 21 24  2  0  0  0  0
 21 45  1  0  0  0  0
 22 24  1  0  0  0  0
 22 46  1  0  0  0  0
 23 47  1  0  0  0  0
 24 50  1  0  0  0  0
M  END

$$$$
D03WGS
  -OEChem-10101305022D

143147  0     1  0  0  0  0  0999 V2000
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   11.7920   -2.0311    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    9.7884    0.2018    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7060   -1.2062    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4993   -0.9549    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   13.8736    9.9133    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   10.5028   -3.1878    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.1276   -3.5197    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   12.9881    4.4164    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1491   -3.7259    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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   10.1456   -1.4930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 77141  1  0  0  0  0
M  END

$$$$
D03WHD
  -OEChem-10101305022D

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 10 13  2  0  0  0  0
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 12 20  1  0  0  0  0
 13 16  1  0  0  0  0
 16 21  1  0  0  0  0
M  END

$$$$
D03WIK
  -OEChem-10191521312D

 91 90  0     1  0  0  0  0  0999 V2000
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 30 79  1  0  0  0  0
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 33 87  1  0  0  0  0
 34 89  1  0  0  0  0
 34 90  1  0  0  0  0
 34 91  1  0  0  0  0
M  CHG  1   8   1
M  END

$$$$
D03WJD
  -OEChem-10191522012D

 44 46  0     1  0  0  0  0  0999 V2000
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  1  2  2  0  0  0  0
  1  3  2  0  0  0  0
  1  7  1  0  0  0  0
  1 15  1  0  0  0  0
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 24 39  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

$$$$
D03WJG
  -OEChem-10191521522D

 49 51  0     1  0  0  0  0  0999 V2000
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  1  5  2  0  0  0  0
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  1 10  1  0  0  0  0
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 13  2  1  1  0  0  0
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 15  4  1  1  0  0  0
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 20 41  1  0  0  0  0
 21 23  2  0  0  0  0
 21 42  1  0  0  0  0
 22 23  1  0  0  0  0
 22 43  1  0  0  0  0
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 25 45  1  0  0  0  0
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 27 29  2  0  0  0  0
 27 47  1  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

$$$$
D03WMT
          03291100082D 1   1.00000     0.00000     0

 39 43  0     1  0            999 V2000
    7.4046   -2.2194    0.0000 F   0  0  0  0  0  0           0  0  0
    8.1130   -2.2194    0.0000 F   0  0  0  0  0  0           0  0  0
    7.7588   -1.6073    0.0000 C   0  0  3  0  0  0           0  0  0
    1.6194   -1.6000    0.0000 C   0  0  0  0  0  0           0  0  0
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    2.8425   -1.5963    0.0000 C   0  0  0  0  0  0           0  0  0
    2.8418   -2.3124    0.0000 C   0  0  0  0  0  0           0  0  0
    3.4582   -2.6690    0.0000 C   0  0  0  0  0  0           0  0  0
    4.0792   -2.3135    0.0000 C   0  0  0  0  0  0           0  0  0
    4.0798   -1.5974    0.0000 C   0  0  2  0  0  0           0  0  0
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   -0.2171   -1.2442    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.8302   -1.5977    0.0000 C   0  0  0  0  0  0           0  0  0
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   -0.2107   -2.6600    0.0000 C   0  0  0  0  0  0           0  0  0
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  5  6  1  0     0  0
 19 20  1  0     0  0
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 20 21  2  0     0  0
 21 16  1  0     0  0
 15 22  2  0     0  0
 18  3  1  0     0  0
  8 13  1  0     0  0
  3 23  1  0     0  0
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 20 24  1  0     0  0
 10 11  1  0     0  0
 24 25  1  0     0  0
 11 12  1  0     0  0
 25 26  1  0     0  0
 12 13  1  0     0  0
 25 27  1  0     0  0
  8  7  2  0     0  0
  4 28  1  0     0  0
 12 14  1  6     0  0
 28 29  1  0     0  0
  7  4  1  0     0  0
 29 30  2  0     0  0
 14 15  1  0     0  0
 30 31  1  0     0  0
  8  9  1  0     0  0
 31 32  2  0     0  0
 32 34  1  0     0  0
 33 29  1  0     0  0
 33 34  2  0     0  0
 15 16  1  0     0  0
  3  2  1  0     0  0
 16 17  2  0     0  0
  4  5  2  0     0  0
 17 18  1  0     0  0
  1  3  1  0     0  0
 33 38  1  0     0  0
 34 35  1  0     0  0
 35 36  1  0     0  0
 36 37  1  0     0  0
 37 38  1  0     0  0
 18 19  2  0     0  0
 36 39  2  0     0  0
M  END

$$$$
D03WNI
  -OEChem-10191522222D

 15 14  0     1  0  0  0  0  0999 V2000
    5.1350   -1.0950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -0.0950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    0.4050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    1.4050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -1.0950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -0.0950    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
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    6.0010    0.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -0.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8711   -0.5200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6675    0.8799    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8705    0.8799    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.4050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4040    0.2150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.0950    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  8  1  0  0  0  0
  2 14  1  0  0  0  0
  3  9  1  0  0  0  0
  3 15  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  2  0  0  0  0
  6  7  1  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
  7 11  1  0  0  0  0
  7 12  1  0  0  0  0
M  END

$$$$
D03WOS
  -OEChem-10101305022D

 29 31  0     0  0  0  0  0  0999 V2000
    6.4144   -2.1723    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.6660   -1.1377    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660    1.8623    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.3831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9061    0.8970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.6585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000    0.3623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9061   -1.1724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000   -0.6377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660    0.8623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  9  1  0  0  0  0
  2 12  2  0  0  0  0
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  3 27  1  0  0  0  0
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  4 17  1  0  0  0  0
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  7  9  2  0  0  0  0
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 10 11  2  0  0  0  0
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 13 15  2  0  0  0  0
 13 25  1  0  0  0  0
 14 16  2  0  0  0  0
 15 16  1  0  0  0  0
 15 28  1  0  0  0  0
 16 29  1  0  0  0  0
M  END

$$$$
D03WOU
  -OEChem-10101305022D

 38 41  0     0  0  0  0  0  0999 V2000
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 20 33  1  0  0  0  0
 21 23  2  0  0  0  0
 21 36  1  0  0  0  0
 22 24  2  0  0  0  0
 22 35  1  0  0  0  0
 23 38  1  0  0  0  0
 24 37  1  0  0  0  0
M  END

$$$$
D03WOZ
  -OEChem-10101305022D

 17 18  0     0  0  0  0  0  0999 V2000
    2.0000    1.7500    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.7320    1.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783    0.0547    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2619   -0.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.2500    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.2500    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
    2.8660    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783   -1.5547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8709    0.6441    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
    4.8709   -2.1440    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -1.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  2  5  2  0  0  0  0
  3  4  1  0  0  0  0
  3  6  1  0  0  0  0
  3 14  1  0  0  0  0
  4 11  2  0  0  0  0
  5  8  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  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
  9 12  2  0  0  0  0
  9 13  1  0  0  0  0
 10 12  1  0  0  0  0
 10 15  1  0  0  0  0
 11 16  1  0  0  0  0
 12 17  1  0  0  0  0
M  CHG  2   1  -1   5   1
M  END

$$$$
D03WPE
  -OEChem-10191521362D

 56 59  0     1  0  0  0  0  0999 V2000
    7.0006    1.7369    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3466    0.6450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3504    2.8206    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9528    4.2384    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.6716    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.1716    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2764   -0.0237    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2764   -1.6332    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.1716    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.3284    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -2.8284    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.1716    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    2.6716    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.5386    1.2342    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.5870    0.9268    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.5403    2.2342    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.5898    2.5449    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2824    3.4964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.3284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8600   -0.8284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -1.3284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.8284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.3284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -3.3284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.1716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -4.3284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.8284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -4.8284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.3284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.6716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -4.3284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    3.1716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    4.1716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0915    1.5147    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9745    0.8309    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4444    2.8467    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9776    2.6429    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9016    3.9857    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7345    3.2063    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9134    0.8962    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9163    2.5674    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4800   -0.8284    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7623    4.8284    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -3.1384    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951   -0.1384    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -4.6384    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.2084    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -5.4484    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -3.0184    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -4.6384    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    2.9816    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3894    3.2792    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7880    2.5890    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6200    4.1716    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    4.7916    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3800    4.1716    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 15  1  0  0  0  0
  1 17  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 18  1  0  0  0  0
  4 43  1  0  0  0  0
  5 25  2  0  0  0  0
  6 30  2  0  0  0  0
 15  7  1  6  0  0  0
  7 19  1  0  0  0  0
  7 20  1  0  0  0  0
  8 20  2  0  0  0  0
  8 21  1  0  0  0  0
  9 19  2  0  0  0  0
  9 23  1  0  0  0  0
 10 22  1  0  0  0  0
 10 23  2  0  0  0  0
 11 22  1  0  0  0  0
 11 24  1  0  0  0  0
 11 44  1  0  0  0  0
 12 23  1  0  0  0  0
 12 25  1  0  0  0  0
 12 45  1  0  0  0  0
 13 30  1  0  0  0  0
 13 32  1  0  0  0  0
 13 51  1  0  0  0  0
 14 15  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
 16 17  1  0  0  0  0
 16 36  1  0  0  0  0
 17 18  1  6  0  0  0
 17 37  1  0  0  0  0
 18 38  1  0  0  0  0
 18 39  1  0  0  0  0
 19 21  1  0  0  0  0
 20 42  1  0  0  0  0
 21 22  2  0  0  0  0
 24 26  2  0  0  0  0
 24 27  1  0  0  0  0
 25 30  1  0  0  0  0
 26 28  1  0  0  0  0
 26 46  1  0  0  0  0
 27 29  2  0  0  0  0
 27 47  1  0  0  0  0
 28 31  2  0  0  0  0
 28 48  1  0  0  0  0
 29 31  1  0  0  0  0
 29 49  1  0  0  0  0
 31 50  1  0  0  0  0
 32 33  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
M  END

$$$$
D03WQK
  -OEChem-10101305022D

 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
    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
    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
    6.8671    0.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    2.0000    0.0000 N   0  0  0  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  1  0  0  0  0  0  0  0  0  0
    5.1350   -0.5000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.4030    0.5000    0.0000 C   0  0  1  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    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8059   -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
    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
    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
    3.7320   -2.3100    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
    6.0010   -1.6200    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
    6.5380    2.3100    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
  1 11  1  0  0  0  0
  1 12  1  0  0  0  0
  8  2  1  1  0  0  0
  2 22  1  0  0  0  0
  9  3  1  6  0  0  0
  3 23  1  0  0  0  0
 10  4  1  6  0  0  0
  4 24  1  0  0  0  0
  5 13  1  0  0  0  0
  5 25  1  0  0  0  0
  6 14  2  0  0  0  0
  7 14  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 15  1  0  0  0  0
  9 11  1  0  0  0  0
  9 16  1  0  0  0  0
 10 12  1  0  0  0  0
 10 17  1  0  0  0  0
 11 13  1  1  0  0  0
 11 18  1  0  0  0  0
 12 14  1  6  0  0  0
 12 19  1  0  0  0  0
 13 20  1  0  0  0  0
 13 21  1  0  0  0  0
M  END

$$$$
D03WTU
  -OEChem-10191522452D

 55 57  0     0  0  0  0  0  0999 V2000
    7.9244   -1.2677    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8314    4.0230    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1241    2.9468    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7884    4.4354    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783   -2.8369    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2781   -0.7296    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.1416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9889   -1.8864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2619   -3.6416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -4.1416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783   -4.4464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9674   -1.6802    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.6416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0000   -3.1416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -4.1416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2566   -0.5234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.8564    1.5838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5458    0.6333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8349    1.7901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1886    2.3282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4993    3.2787    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1456    2.7406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4778    3.4849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8529    3.8168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7920    2.2025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7669    4.6416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9684   -1.2667    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3751   -1.7990    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8709   -5.0357    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9880   -2.2998    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5812   -1.7675    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.0216    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2619   -4.2616    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8819   -3.6416    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2619   -3.0216    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -5.2616    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -2.8316    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -4.4516    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8640   -0.2682    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1532    0.8886    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9598    0.1719    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2490    1.3286    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5819    2.2003    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7250    4.4234    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2462    3.6889    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9808    3.2101    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3305    1.7884    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.2060    1.7410    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.2534    2.6166    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8948    4.0350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3736    4.7695    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6391    5.2483    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 18  2  0  0  0  0
  2 24  1  0  0  0  0
  2 27  1  0  0  0  0
  3 25  1  0  0  0  0
  3 28  1  0  0  0  0
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  4 29  1  0  0  0  0
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  6 12  1  0  0  0  0
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 17 41  1  0  0  0  0
 18 19  1  0  0  0  0
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 20 21  1  0  0  0  0
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 21 44  1  0  0  0  0
 22 25  1  0  0  0  0
 22 45  1  0  0  0  0
 23 24  2  0  0  0  0
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 24 26  1  0  0  0  0
 25 26  2  0  0  0  0
 27 47  1  0  0  0  0
 27 48  1  0  0  0  0
 27 49  1  0  0  0  0
 28 50  1  0  0  0  0
 28 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
M  END

$$$$
D03WYO
  -OEChem-04152109542D

 44 47  0     1  0  0  0  0  0999 V2000
    2.6838    1.8562    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7976   -2.9540    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7643    1.1816    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    5.0739    0.4134    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.5961    2.3619    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.3327    1.3793    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.3076    1.9680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3456   -0.3813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3090    2.0203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1227    0.2481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1463    1.4233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1986    2.4220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8528   -0.4523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2994    1.0682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8150   -0.5525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0961    3.2280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0238    0.1069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7962   -1.4924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0807   -0.3352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8636   -1.9562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.3737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1135    2.7035    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    7.4604   -0.2719    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.2162   -0.3921    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.6330    3.5380    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7861    3.7649    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1 14  2  0  0  0  0
  2 20  1  0  0  0  0
  2 44  1  0  0  0  0
  3  6  1  0  0  0  0
  3  9  1  0  0  0  0
  3 10  1  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
  4 15  1  1  0  0  0
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  5 16  1  1  0  0  0
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  6 14  1  0  0  0  0
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  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 31  1  0  0  0  0
 11 32  1  0  0  0  0
 12 33  1  0  0  0  0
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 13 17  2  0  0  0  0
 13 18  1  0  0  0  0
 14 17  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 19  1  0  0  0  0
 18 20  2  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 21  1  0  0  0  0
 21 43  1  0  0  0  0
M  END

$$$$
D03XAE
  -OEChem-10101305022D

 36 37  0     0  0  0  0  0  0999 V2000
    6.4103   -1.9358    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0102    1.7809    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4103   -0.3264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.6311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7210    0.6241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.6311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6995    0.8304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9939   -1.1311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.1311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.6311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.1311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.6311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.1311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9887    1.9871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3423    2.5252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.6311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7004    1.2438    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1072    0.7115    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7201    0.2107    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3133    0.7430    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6139   -1.1311    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.4889    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.3100   -1.1680    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  8  1  0  0  0  0
  1 23  1  0  0  0  0
  2  7  1  0  0  0  0
  2 14  1  0  0  0  0
  2 15  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3  8  2  0  0  0  0
  4  6  2  0  0  0  0
  4  9  1  0  0  0  0
  5  7  1  0  0  0  0
  5 17  1  0  0  0  0
  5 18  1  0  0  0  0
  6 11  1  0  0  0  0
  7 19  1  0  0  0  0
  7 20  1  0  0  0  0
  8 21  1  0  0  0  0
  9 10  2  0  0  0  0
  9 22  1  0  0  0  0
 10 12  1  0  0  0  0
 10 13  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 16  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
 14 30  1  0  0  0  0
 15 31  1  0  0  0  0
 15 32  1  0  0  0  0
 15 33  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
M  END

$$$$
D03XBA
  -OEChem-10101305022D

 33 34  0     0  0  0  0  0  0999 V2000
   11.5263    1.3100    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    0.8100    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.6900    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -0.6900    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942   -0.6900    0.0000 N   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   -0.1900    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
    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
    7.1962   -0.1900    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
    2.0000   -0.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282   -0.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    0.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942    1.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603    0.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603   -0.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1996   -1.1650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    5.0656    0.2849    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
    4.2690    1.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    1.4631   -0.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    1.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -1.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3913    1.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942    1.9300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1972   -0.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 18  1  0  0  0  0
  2 11  2  0  0  0  0
  3  7  1  0  0  0  0
  3 11  1  0  0  0  0
  3 24  1  0  0  0  0
  4 11  1  0  0  0  0
  4 15  1  0  0  0  0
  4 30  1  0  0  0  0
  5 15  2  0  0  0  0
  5 19  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6 20  1  0  0  0  0
  6 21  1  0  0  0  0
  7 22  1  0  0  0  0
  7 23  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 25  1  0  0  0  0
 10 13  2  0  0  0  0
 10 26  1  0  0  0  0
 12 14  2  0  0  0  0
 12 27  1  0  0  0  0
 13 14  1  0  0  0  0
 13 28  1  0  0  0  0
 14 29  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  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 19  2  0  0  0  0
 19 33  1  0  0  0  0
M  END

$$$$
D03XCG
  -OEChem-10101305022D

 49 49  0     0  0  0  0  0  0999 V2000
    3.7320    2.0000    0.0000 O   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   -3.0000    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
    4.5981   -2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -4.5000    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   -5.5000    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
    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
    5.4641    2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -6.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.0000    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
    6.3301    4.5000    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    6.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5200   -2.4174    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1215   -3.1077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9441   -4.5826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    6.5762    6.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 17  2  0  0  0  0
  2 13  1  0  0  0  0
  2 18  1  0  0  0  0
  2 44  1  0  0  0  0
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  3 21  1  0  0  0  0
  3 22  1  0  0  0  0
  4  6  1  0  0  0  0
  4 23  1  0  0  0  0
  4 24  1  0  0  0  0
  5  7  1  0  0  0  0
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  6  8  1  0  0  0  0
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  6 28  1  0  0  0  0
  7  9  2  0  0  0  0
  7 10  1  0  0  0  0
  8 14  1  0  0  0  0
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  8 30  1  0  0  0  0
  9 15  1  0  0  0  0
  9 31  1  0  0  0  0
 10 16  2  0  0  0  0
 10 32  1  0  0  0  0
 11 15  2  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
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 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
 14 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
 16 41  1  0  0  0  0
 18 19  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
 19 45  1  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
 20 49  1  0  0  0  0
M  END

$$$$
D03XDN
  -OEChem-10121500452D

 38 40  0     0  0  0  0  0  0999 V2000
    9.7758   -3.0445    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.5099    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0785   -0.0247    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.0099    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0901    3.0445    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.9962    1.4891    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    1.5099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    2.5099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.5099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    1.0099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0901    0.9752    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    3.0099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    2.5099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9387   -0.5347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.5099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.9271   -1.5346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0000    1.5099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7873   -2.0446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6707   -0.5547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6591   -1.5547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.3899    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.9272    2.8199    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.5981    0.3899    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4675    0.5349    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2646    0.5349    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5319    2.8428    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3867   -1.8384    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8176    0.5752    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100    2.0468    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    1.8199    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900    0.9729    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2111   -0.2510    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1924   -1.8708    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 21  1  0  0  0  0
  2 15  2  0  0  0  0
  3 11  1  0  0  0  0
  3 14  1  0  0  0  0
  3 27  1  0  0  0  0
  4  9  1  0  0  0  0
  4 15  1  0  0  0  0
  4 28  1  0  0  0  0
  5  8  1  0  0  0  0
  5 17  2  0  0  0  0
  6 11  2  0  0  0  0
  6 17  1  0  0  0  0
  7  8  2  0  0  0  0
  7 10  1  0  0  0  0
  7 11  1  0  0  0  0
  8 12  1  0  0  0  0
  9 10  2  0  0  0  0
  9 13  1  0  0  0  0
 10 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 19  1  0  0  0  0
 15 16  1  0  0  0  0
 16 20  1  0  0  0  0
 16 29  1  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 32  1  0  0  0  0
 19 22  2  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
 21 23  2  0  0  0  0
 22 23  1  0  0  0  0
 22 37  1  0  0  0  0
 23 38  1  0  0  0  0
M  END

$$$$
D03XEU
  -OEChem-10101305022D

 31 33  0     0  0  0  0  0  0999 V2000
    5.5443    0.3647    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.5600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.4400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1279   -0.4400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.9400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1279   -0.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5443   -1.2447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1279   -0.4400    0.0000 C   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
    3.7320   -1.4400    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
    2.8660    0.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6279   -1.3060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6279    0.4260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6279   -1.3060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6279    0.4260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1279   -0.4400    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
    5.7369   -1.8340    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
    2.3291    0.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3179   -1.8430    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    8.9379    0.9630    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
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    2.5560    1.5231    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4379   -0.9769    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  7  1  0  0  0  0
  2 10  1  0  0  0  0
  2 19  1  0  0  0  0
  3 12  1  0  0  0  0
  3 27  1  0  0  0  0
  4 18  1  0  0  0  0
  4 31  1  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  5 11  2  0  0  0  0
  6 10  2  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  8 20  1  0  0  0  0
  9 14  2  0  0  0  0
  9 15  1  0  0  0  0
 10 13  1  0  0  0  0
 11 12  1  0  0  0  0
 11 21  1  0  0  0  0
 12 13  2  0  0  0  0
 13 22  1  0  0  0  0
 14 16  1  0  0  0  0
 14 23  1  0  0  0  0
 15 17  2  0  0  0  0
 15 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
 19 28  1  0  0  0  0
 19 29  1  0  0  0  0
 19 30  1  0  0  0  0
M  END

$$$$
D03XGJ
  -OEChem-10101305032D

 27 28  0     0  0  0  0  0  0999 V2000
    3.4030    1.6550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -1.3450    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    0.1550    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -2.8450    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    1.6550    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   -0.3450    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
    6.0010    1.1550    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
    5.1350   -1.3450    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
    6.8671    1.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.4040    1.3450    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1  7  2  0  0  0  0
  2  8  1  0  0  0  0
  2 13  2  0  0  0  0
  3  8  1  0  0  0  0
  3 24  1  0  0  0  0
  3 25  1  0  0  0  0
  4 13  1  0  0  0  0
  4 26  1  0  0  0  0
  4 27  1  0  0  0  0
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  5  8  2  0  0  0  0
  5  9  1  0  0  0  0
  6  7  1  0  0  0  0
  6 10  2  0  0  0  0
  6 11  1  0  0  0  0
  9 12  2  0  0  0  0
  9 17  1  0  0  0  0
 10 14  1  0  0  0  0
 10 18  1  0  0  0  0
 11 15  2  0  0  0  0
 11 19  1  0  0  0  0
 12 13  1  0  0  0  0
 12 20  1  0  0  0  0
 14 16  2  0  0  0  0
 14 21  1  0  0  0  0
 15 16  1  0  0  0  0
 15 22  1  0  0  0  0
 16 23  1  0  0  0  0
M  END

$$$$
D03XHE
  -OEChem-04152122322D

 41 43  0     0  0  0  0  0  0999 V2000
    7.1962    3.5000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    2.0000    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   -2.0000    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
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 18 32  1  0  0  0  0
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 21 37  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
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 25 26  1  0  0  0  0
 25 40  1  0  0  0  0
 26 41  1  0  0  0  0
M  END

$$$$
D03XHF
  -OEChem-10101305022D

 31 33  0     0  0  0  0  0  0999 V2000
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 18 29  1  0  0  0  0
M  END

$$$$
D03XIY
  -OEChem-10101305022D

 38 39  0     0  0  0  0  0  0999 V2000
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 18 37  1  0  0  0  0
 19 38  1  0  0  0  0
M  END

$$$$
D03XJE
  -OEChem-10101305022D

 40 44  0     0  0  0  0  0  0999 V2000
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 10 33  1  0  0  0  0
 11 30  1  0  0  0  0
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 16 17  2  0  0  0  0
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 18 37  1  0  0  0  0
 19 21  2  0  0  0  0
 19 38  1  0  0  0  0
 20 21  1  0  0  0  0
 21 39  1  0  0  0  0
M  END

$$$$
D03XKJ
  -OEChem-10101305022D

 38 39  0     0  0  0  0  0  0999 V2000
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 18 35  1  0  0  0  0
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 19 36  1  0  0  0  0
M  END

$$$$
D03XKK
  -OEChem-10101305032D

 32 34  0     0  0  0  0  0  0999 V2000
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 17 27  1  0  0  0  0
 18 28  1  0  0  0  0
 18 29  1  0  0  0  0
 18 30  1  0  0  0  0
M  END

$$$$
D03XKL
  -OEChem-10101305022D

 68 71  0     0  0  0  0  0  0999 V2000
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 32 68  1  0  0  0  0
M  END

$$$$
D03XKU
  -OEChem-10101305022D

 26 27  0     1  0  0  0  0  0999 V2000
    3.4030    0.0600    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -1.4400    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -1.4400    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.5600    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.1350    0.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    1.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -0.9400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0290    0.5947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -0.9400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    2.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0290   -1.4747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9350    0.0808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9350   -0.9608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.4810    2.1426    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0218    1.2146    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -2.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7130    2.5969    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0000   -1.1300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -2.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  1  9  2  0  0  0  0
  2  7  1  0  0  0  0
  2  9  1  0  0  0  0
  2 18  1  0  0  0  0
  3  9  1  0  0  0  0
  3 25  1  0  0  0  0
  3 26  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4 14  1  0  0  0  0
  5  7  1  0  0  0  0
  5  8  2  0  0  0  0
  6 10  1  0  0  0  0
  6 15  1  0  0  0  0
  6 16  1  0  0  0  0
  7 11  2  0  0  0  0
  8 12  1  0  0  0  0
  8 17  1  0  0  0  0
 10 19  1  0  0  0  0
 10 20  1  0  0  0  0
 10 21  1  0  0  0  0
 11 13  1  0  0  0  0
 11 22  1  0  0  0  0
 12 13  2  0  0  0  0
 12 23  1  0  0  0  0
 13 24  1  0  0  0  0
M  END

$$$$
D03XLS
  -OEChem-10191522042D

 31 31  0     1  0  0  0  0  0999 V2000
    6.8671   -2.2985    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    2.2015    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    3.7015    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331   -2.7985    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3671   -3.1645    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3671   -1.4325    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    0.7015    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    5.1350    2.7015    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    1.2015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    2.2015    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.0010    1.2015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    2.2015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -0.2985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    2.7015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -0.7985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -1.7985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6584    1.3091    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0569    0.6189    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    3.0515    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    6.6116    1.3091    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    6.2131    2.7841    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    3.3215    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5244   -0.1909    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9230   -0.8811    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5380   -0.4885    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -2.1085    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.5115    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331   -3.4185    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6771   -3.7015    0.0000 H   0  0  0  0  0  0  0  0  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
  1 16  1  0  0  0  0
  2 14  1  0  0  0  0
  2 29  1  0  0  0  0
  3 14  2  0  0  0  0
  4 30  1  0  0  0  0
  5 31  1  0  0  0  0
  7  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 12  1  0  0  0  0
  8 24  1  0  0  0  0
  9 10  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 19  1  0  0  0  0
 11 12  1  0  0  0  0
 11 20  1  0  0  0  0
 11 21  1  0  0  0  0
 12 22  1  0  0  0  0
 12 23  1  0  0  0  0
 13 15  1  0  0  0  0
 13 25  1  0  0  0  0
 13 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

$$$$
D03XMD
  -OEChem-04152109472D

 87 88  0     0  0  0  0  0  0999 V2000
    0.0000    8.7060    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    8.7060    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   10.8671    3.2921    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0010    4.7921    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.4030    5.2921    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.7331   12.7921    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.2690    1.7921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3554    2.1988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1645    0.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6863    1.4557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1863    0.5897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1350    2.2921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.0010    3.7921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.8671    5.2921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.8671    6.2921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7331    6.7921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 39 84  1  0  0  0  0
 40 85  1  0  0  0  0
M  END

$$$$
D03XMR
  BIDD-NUS20110812001D

 27 30  0     1  0            999 V2000
    6.1967   -3.8520    0.0000 C   0  0  0  0  0  0           0  0  0
    6.1956   -4.6737    0.0000 C   0  0  0  0  0  0           0  0  0
    6.9054   -5.0837    0.0000 C   0  0  0  0  0  0           0  0  0
    6.9036   -3.4422    0.0000 C   0  0  0  0  0  0           0  0  0
    7.6140   -3.8485    0.0000 C   0  0  0  0  0  0           0  0  0
    7.6128   -4.6757    0.0000 C   0  0  0  0  0  0           0  0  0
    8.3247   -5.0880    0.0000 C   0  0  0  0  0  0           0  0  0
    9.0423   -4.6777    0.0000 C   0  0  0  0  0  0           0  0  0
    8.3271   -3.4336    0.0000 C   0  0  3  0  0  0           0  0  0
    9.0434   -3.8541    0.0000 C   0  0  3  0  0  0           0  0  0
    9.0538   -2.1957    0.0000 C   0  0  0  0  0  0           0  0  0
    8.3291   -2.6052    0.0000 C   0  0  0  0  0  0           0  0  0
    9.7701   -2.6162    0.0000 C   0  0  1  0  0  0           0  0  0
    9.7614   -3.4449    0.0000 C   0  0  3  0  0  0           0  0  0
   10.5468   -3.7092    0.0000 C   0  0  0  0  0  0           0  0  0
   11.0410   -3.0440    0.0000 C   0  0  3  0  0  0           0  0  0
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    9.7647   -1.7957    0.0000 C   0  0  0  0  0  0           0  0  0
    5.4858   -5.0827    0.0000 O   0  0  0  0  0  0           0  0  0
   10.8222   -1.5921    0.0000 O   0  0  0  0  0  0           0  0  0
   11.8602   -3.0525    0.0000 C   0  0  0  0  0  0           0  0  0
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   14.3035   -4.4994    0.0000 C   0  0  0  0  0  0           0  0  0
 11 12  1  0     0  0
 13 14  1  0     0  0
  2  3  1  0     0  0
  3  6  2  0     0  0
  1  2  2  0     0  0
  5  9  1  0     0  0
  6  7  1  0     0  0
 14 15  1  0     0  0
 15 16  1  0     0  0
 16 17  1  0     0  0
 17 13  1  0     0  0
  7  8  1  0     0  0
 13 18  1  1     0  0
  8 10  1  0     0  0
  2 19  1  0     0  0
  9 10  1  0     0  0
 17 20  1  1     0  0
  5  4  2  0     0  0
 16 21  1  0     0  0
  4  1  1  0     0  0
 21 22  1  0     0  0
  5  6  1  0     0  0
 22 23  2  0     0  0
 22 24  1  0     0  0
  9 12  1  0     0  0
 24 25  1  0     0  0
 10 14  1  0     0  0
 24 26  1  0     0  0
 13 11  1  0     0  0
 26 27  1  0     0  0
M  ENDM  END

$$$$
D03XOB
  -OEChem-10101305022D

 20 21  0     0  0  0  0  0  0999 V2000
    6.0812   -0.8047    0.0000 S   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
    8.1648   -0.8660    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1648    0.8660    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
    5.1350   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0812    0.8047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6648    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
    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
    7.6648    0.0000    0.0000 B   0  0  0  0  0  0  0  0  0  0  0  0
    6.2738    1.3940    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1  6  1  0  0  0  0
  1  8  1  0  0  0  0
  2 11  1  0  0  0  0
  2 18  1  0  0  0  0
  3 13  1  0  0  0  0
  3 19  1  0  0  0  0
  4 13  1  0  0  0  0
  4 20  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  5  9  1  0  0  0  0
  6 10  1  0  0  0  0
  7  8  2  0  0  0  0
  7 14  1  0  0  0  0
  8 13  1  0  0  0  0
  9 11  2  0  0  0  0
  9 15  1  0  0  0  0
 10 12  2  0  0  0  0
 10 16  1  0  0  0  0
 11 12  1  0  0  0  0
 12 17  1  0  0  0  0
M  END

$$$$
D03XQB
  -OEChem-10101305032D

 33 35  0     1  0  0  0  0  0999 V2000
   10.7263    0.7742    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -2.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    2.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.2500    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.3301   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.7500    0.0000 C   0  0  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   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    0.2500    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
    4.5981    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9561   -1.2847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.5981    2.2500    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
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    3.1951    0.4400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3979   -1.0829    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900    2.2869    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.3100    1.2131    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 18  1  0  0  0  0
  2  5  1  0  0  0  0
  2 10  1  0  0  0  0
  3  8  2  0  0  0  0
  4 19  1  0  0  0  0
  4 20  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 21  1  0  0  0  0
  6  8  1  0  0  0  0
  6 22  1  0  0  0  0
  6 23  1  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
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 10 14  1  0  0  0  0
 11 15  1  0  0  0  0
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 12 16  2  0  0  0  0
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 13 17  2  0  0  0  0
 13 26  1  0  0  0  0
 14 18  2  0  0  0  0
 14 27  1  0  0  0  0
 15 19  2  0  0  0  0
 15 28  1  0  0  0  0
 16 19  1  0  0  0  0
 16 29  1  0  0  0  0
 17 18  1  0  0  0  0
 17 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
M  END

$$$$
D03XVJ
  -OEChem-10191521452D

 87 90  0     0  0  0  0  0  0999 V2000
    4.9889    2.3687    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   18.9184   -2.1630    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.8783   -3.9183    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   14.2619   -1.0722    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
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   17.2619   -2.8043    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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 25 76  1  0  0  0  0
 25 77  1  0  0  0  0
 26 30  1  0  0  0  0
 27 31  1  0  0  0  0
 28 32  1  0  0  0  0
 29 33  1  0  0  0  0
 30 31  1  0  0  0  0
 30 37  2  0  0  0  0
 31 36  2  0  0  0  0
 32 33  1  0  0  0  0
 32 35  2  0  0  0  0
 33 34  2  0  0  0  0
 34 41  1  0  0  0  0
 34 80  1  0  0  0  0
 35 40  1  0  0  0  0
 35 81  1  0  0  0  0
 36 39  1  0  0  0  0
 36 82  1  0  0  0  0
 37 38  1  0  0  0  0
 37 83  1  0  0  0  0
 38 39  2  0  0  0  0
 38 87  1  0  0  0  0
 39 86  1  0  0  0  0
 40 41  2  0  0  0  0
 40 85  1  0  0  0  0
 41 84  1  0  0  0  0
M  CHG  2   5   1   6   1
M  END

$$$$
D03XVT
  -OEChem-10101305022D

 42 43  0     1  0  0  0  0  0999 V2000
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    3.7320   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7320   -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
    6.3301    4.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8660   -2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7320    2.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    5.7932    4.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -1.4400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991    2.9400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    8.5991    4.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -2.9400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -2.9400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -4.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -4.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -5.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6  0  0  0
  1 31  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2 21  1  0  0  0  0
  3  5  1  0  0  0  0
  3 22  1  0  0  0  0
  3 23  1  0  0  0  0
  4  6  1  0  0  0  0
  4 24  1  0  0  0  0
  4 25  1  0  0  0  0
  5  7  1  0  0  0  0
  5 26  1  0  0  0  0
  5 27  1  0  0  0  0
  6  8  1  0  0  0  0
  6 28  1  0  0  0  0
  6 29  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 30  1  0  0  0  0
  9 12  1  0  0  0  0
  9 32  1  0  0  0  0
 10 13  2  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
 12 15  2  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 16  2  0  0  0  0
 14 17  1  0  0  0  0
 15 37  1  0  0  0  0
 16 18  1  0  0  0  0
 16 38  1  0  0  0  0
 17 19  2  0  0  0  0
 17 39  1  0  0  0  0
 18 20  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 42  1  0  0  0  0
M  END

$$$$
D03XXI
  -OEChem-10101305022D

 46 47  0     0  0  0  0  0  0999 V2000
    6.3301    0.5600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.9400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -5.9400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -5.9400    0.0000 O   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
    4.5981   -2.4400    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
    3.7320   -2.9400    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
    3.7320   -3.9400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -4.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    1.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    3.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    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
    7.1962    3.0600    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
    6.3301    4.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  9  1  0  0  0  0
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  7 29  1  0  0  0  0
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  8 31  1  0  0  0  0
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 10 11  1  0  0  0  0
 10 35  1  0  0  0  0
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 11 19  1  0  0  0  0
 12 14  2  0  0  0  0
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 13 16  2  0  0  0  0
 13 17  1  0  0  0  0
 13 18  1  0  0  0  0
 14 16  1  0  0  0  0
 14 37  1  0  0  0  0
 15 17  2  0  0  0  0
 15 38  1  0  0  0  0
 16 39  1  0  0  0  0
 17 40  1  0  0  0  0
 18 20  2  0  0  0  0
 18 21  1  0  0  0  0
 20 22  1  0  0  0  0
 20 41  1  0  0  0  0
 21 23  2  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

$$$$
D03XXT
  -OEChem-10191522422D

 69 73  0     1  0  0  0  0  0999 V2000
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 36 67  1  0  0  0  0
 36 68  1  0  0  0  0
 36 69  1  0  0  0  0
M  END

$$$$
D03XXV
  -OEChem-10101305022D

 44 47  0     0  0  0  0  0  0999 V2000
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M  END

$$$$
D03XYG
  BIDD-NUS20110812001D

 26 29  0     0  0            999 V2000
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 21 26  1  0     0  0
 11  4  1  0     0  0
 24 16  2  0     0  0
M  ENDM  END

$$$$
D03XYK
  -OEChem-10101305022D

 37 40  0     0  0  0  0  0  0999 V2000
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 15 18  2  0  0  0  0
 15 30  1  0  0  0  0
 16 18  1  0  0  0  0
 16 31  1  0  0  0  0
 17 32  1  0  0  0  0
 18 33  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 34  1  0  0  0  0
 21 23  2  0  0  0  0
 21 35  1  0  0  0  0
 22 24  2  0  0  0  0
 22 36  1  0  0  0  0
 23 24  1  0  0  0  0
 23 37  1  0  0  0  0
M  END

$$$$
D03XZJ
  -OEChem-10101305032D

 29 30  0     0  0  0  0  0  0999 V2000
    3.6750    3.0194    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.3090   -4.0194    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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    2.6750    3.0194    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8090    1.5194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8090    0.5194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  3  2  0  0  0  0
  1  4  2  0  0  0  0
  1  5  1  0  0  0  0
  1 11  1  0  0  0  0
  2 16  1  0  0  0  0
  2 17  1  0  0  0  0
  5  7  2  0  0  0  0
  5  8  1  0  0  0  0
  6  9  2  0  0  0  0
  6 10  1  0  0  0  0
  6 12  1  0  0  0  0
  7  9  1  0  0  0  0
  7 18  1  0  0  0  0
  8 10  2  0  0  0  0
  8 19  1  0  0  0  0
  9 20  1  0  0  0  0
 10 21  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 13  2  0  0  0  0
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 13 14  1  0  0  0  0
 13 26  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  2  0  0  0  0
 15 17  2  0  0  0  0
 15 27  1  0  0  0  0
 16 28  1  0  0  0  0
 17 29  1  0  0  0  0
M  END

$$$$
D03YAG
  -OEChem-10101305022D

 54 56  0     0  0  0  0  0  0999 V2000
    4.5981    1.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.0706    0.3047    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    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
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   10.6603    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5263    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3923    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   15.6542   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 17 48  1  0  0  0  0
 18 19  1  0  0  0  0
 18 49  1  0  0  0  0
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 19 22  1  0  0  0  0
 20 21  1  0  0  0  0
 20 50  1  0  0  0  0
 21 23  2  0  0  0  0
 22 24  2  0  0  0  0
 22 51  1  0  0  0  0
 23 24  1  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
M  END

$$$$
D03YBH
  -OEChem-04152109272D

 74 73  0     1  0  0  0  0  0999 V2000
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 33 73  1  0  0  0  0
M  END

$$$$
D03YBR
  -OEChem-10101305022D

 27 28  0     0  0  0  0  0  0999 V2000
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 10 13  1  0  0  0  0
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 15 17  1  0  0  0  0
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 16 26  1  0  0  0  0
M  END

$$$$
D03YCW
  -OEChem-10101305022D

 49 53  0     1  0  0  0  0  0999 V2000
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 12  2  1  1  0  0  0
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 29 49  1  0  0  0  0
M  END

$$$$
D03YDG
  -OEChem-10101305022D

 68 72  0     1  0  0  0  0  0999 V2000
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 37 68  1  0  0  0  0
M  END

$$$$
D03YDP
  -OEChem-04152110282D

467473  0     1  0  0  0  0  0999 V2000
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219427  1  0  0  0  0
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223226  1  0  0  0  0
224227  2  0  0  0  0
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231233  1  0  0  0  0
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238239  2  0  0  0  0
239466  1  0  0  0  0
240467  1  0  0  0  0
M  END

$$$$
D03YHE
  -OEChem-04152108422D

 25 24  0     1  0  0  0  0  0999 V2000
    5.4641   -1.7500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    2.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.7500    0.0000 C   0  0  1  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
    5.4641   -0.7500    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
    2.8660    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    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    1.3700    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
    6.0747   -0.8577    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6762   -0.1674    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100    1.7869    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    1.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900    0.7131    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0201   -2.7869    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -2.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6401   -1.7131    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    1.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
  1 12  1  0  0  0  0
  2  9  1  0  0  0  0
  2 25  1  0  0  0  0
  3  9  2  0  0  0  0
  4 10  2  0  0  0  0
  6  5  1  6  0  0  0
  5 10  1  0  0  0  0
  5 18  1  0  0  0  0
  6  7  1  0  0  0  0
  6  9  1  0  0  0  0
  6 13  1  0  0  0  0
  7  8  1  0  0  0  0
  7 14  1  0  0  0  0
  7 15  1  0  0  0  0
  8 16  1  0  0  0  0
  8 17  1  0  0  0  0
 10 11  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 22  1  0  0  0  0
 12 23  1  0  0  0  0
 12 24  1  0  0  0  0
M  END

$$$$
D03YHF
  -OEChem-10101305022D

 42 42  0     0  0  0  0  0  0999 V2000
    3.7320   -2.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    3.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    3.2500    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
    5.4641    4.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -4.2500    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
    2.8660   -3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.2500    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
    2.0000   -5.7500    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
    2.8660   -0.2500    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
    2.8660   -1.2500    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
    4.5981    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
    6.3301    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
    3.0781   -4.8326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    1.7880   -4.1674    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    1.3800   -5.7500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -6.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.3291   -1.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -1.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    1.4400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9501    5.7500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    6.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7101    5.7500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8862    3.7131    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    7.5062    4.7869    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  5  1  0  0  0  0
  2 17  1  0  0  0  0
  3 17  2  0  0  0  0
  4 12  1  0  0  0  0
  4 17  1  0  0  0  0
  4 36  1  0  0  0  0
  5 18  2  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6 21  1  0  0  0  0
  6 22  1  0  0  0  0
  7 11  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 12  1  0  0  0  0
  9 13  2  0  0  0  0
  9 14  1  0  0  0  0
 10 15  2  0  0  0  0
 10 16  1  0  0  0  0
 11 27  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 15  1  0  0  0  0
 13 32  1  0  0  0  0
 14 16  2  0  0  0  0
 14 33  1  0  0  0  0
 15 34  1  0  0  0  0
 16 35  1  0  0  0  0
 18 19  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
 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
M  END

$$$$
D03YHT
  -OEChem-10101305022D

214220  0     1  0  0  0  0  0999 V2000
    2.0000    4.2823    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   12.7852   -7.7196    0.0000 S   0  0  3  0  0  0  0  0  0  0  0  0
   12.3923   -4.7177    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2499   -6.0723    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5263   -1.2177    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9931   -6.7414    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6751   -9.3158    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.9904   -0.2177    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.1244    3.2823    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603    4.2823    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603    1.2823    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    1.7823    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    4.2823    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.3205    1.2823    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    7.7823    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.7224    4.7823    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    8.7823    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603   -4.7177    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.3923   -2.7177    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.0910   -7.3595    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.2583   -0.2177    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -2.7177    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.3693   -9.6759    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.2583    1.7823    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.5263    2.7823    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    3.2823    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   18.4545   -0.2177    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    4.2823    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    6.2823    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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 95 98  1  0  0  0  0
 95198  1  0  0  0  0
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 98108  2  0  0  0  0
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 99109  2  0  0  0  0
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102110  1  0  0  0  0
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110212  1  0  0  0  0
111112  2  0  0  0  0
111213  1  0  0  0  0
112214  1  0  0  0  0
M  END

$$$$
D03YHZ
  -OEChem-10101305022D

 35 38  0     0  0  0  0  0  0999 V2000
    9.9123   -1.4468    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1421   -1.4574    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7841    2.0773    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2482    0.0773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1421    0.6120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2482   -0.9227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0482    0.0981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5161    0.0773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3821    0.5773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6501    0.5773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0482   -0.9435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.8001   -0.9642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9180    1.5773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0080    0.0705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9021   -1.4920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.9711    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5357    1.0910    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    1.4619   -1.2791    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  2  0  0  0  0
  2  6  1  0  0  0  0
  2 11  1  0  0  0  0
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  3 18  2  0  0  0  0
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  4  9  1  0  0  0  0
  5  7  1  0  0  0  0
  5 22  1  0  0  0  0
  5 23  1  0  0  0  0
  6 12  1  0  0  0  0
  7 11  1  0  0  0  0
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  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
  8 13  1  0  0  0  0
  9 26  1  0  0  0  0
 10 14  1  0  0  0  0
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 19 33  1  0  0  0  0
 20 21  2  0  0  0  0
 20 34  1  0  0  0  0
 21 35  1  0  0  0  0
M  END

$$$$
D03YJD
  -OEChem-10191522502D

 45 48  0     0  0  0  0  0  0999 V2000
    3.8774    0.5227    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0114   -3.9773    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    5.7434   -3.9773    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5525    2.6104    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7434    1.0227    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2434    3.5615    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8774   -3.4773    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    5.7434    2.0227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9344    2.6104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9563    2.8184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5035    2.3014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2434    3.5615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8774    0.5227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6473    3.7694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2872    2.0752    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7114    1.3233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2467    2.9706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8774   -0.4773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6691    3.9773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3090    2.2832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6625    1.0143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1977    2.6616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0114   -0.9773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0000    3.2342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8774   -2.4773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8790    4.0631    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.0621    4.2302    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4788    1.4856    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2507    0.9084    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1178    3.5770    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4775    4.5670    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    9.6585    3.0764    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4745   -0.6673    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2804   -0.6673    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3936    3.3632    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9953    1.4918    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4745   -2.2873    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2804   -2.2873    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  2  0  0  0  0
  2  7  1  0  0  0  0
  3  7  2  0  0  0  0
  4  6  1  0  0  0  0
  4  8  1  0  0  0  0
  4 11  1  0  0  0  0
  5  8  1  0  0  0  0
  5 13  1  0  0  0  0
  5 31  1  0  0  0  0
  6 12  2  0  0  0  0
  7 29  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
  9 12  1  0  0  0  0
 10 14  2  0  0  0  0
 10 15  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
 13 18  1  0  0  0  0
 14 19  1  0  0  0  0
 14 32  1  0  0  0  0
 15 20  2  0  0  0  0
 15 33  1  0  0  0  0
 16 21  1  0  0  0  0
 16 34  1  0  0  0  0
 17 22  2  0  0  0  0
 17 35  1  0  0  0  0
 18 23  2  0  0  0  0
 18 24  1  0  0  0  0
 19 25  2  0  0  0  0
 19 36  1  0  0  0  0
 20 25  1  0  0  0  0
 20 37  1  0  0  0  0
 21 26  2  0  0  0  0
 21 38  1  0  0  0  0
 22 26  1  0  0  0  0
 22 39  1  0  0  0  0
 23 27  1  0  0  0  0
 23 40  1  0  0  0  0
 24 28  2  0  0  0  0
 24 41  1  0  0  0  0
 25 42  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 29  1  0  0  0  0
 28 45  1  0  0  0  0
M  CHG  2   2  -1   7   1
M  END

$$$$
D03YLQ
  -OEChem-10191521192D

 43 45  0     1  0  0  0  0  0999 V2000
    2.0000    0.5427    0.0000 I  -2  0  0  0  0  0  0  0  0  0  0  0
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    8.9282    1.5427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942    2.0427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    0.0427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942    0.0427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603    1.5427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603    0.5427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.0427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5542    2.0773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5542    0.0080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.5427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4603    1.5635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4603    0.5219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.0427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.5427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 21 23  2  0  0  0  0
 22 23  1  0  0  0  0
 22 42  1  0  0  0  0
M  ISO  1   1 125
M  END

$$$$
D03YLX
  -OEChem-10101305022D

 24 26  0     0  0  0  0  0  0999 V2000
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 13 21  1  0  0  0  0
 14 22  1  0  0  0  0
 14 23  1  0  0  0  0
 14 24  1  0  0  0  0
M  END

$$$$
D03YLY
  -OEChem-10101305022D

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 28 54  1  0  0  0  0
M  END

$$$$
D03YMD
          06161100072D 1   1.00000     0.00000     0

 65 65  0     1  0            999 V2000
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    7.7316   -6.5792    0.0000 O   0  0  0  0  0  0           0  0  0
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    9.5665   -8.3356    0.0000 C   0  0  0  0  0  0           0  0  0
   10.1821   -8.6862    0.0000 N   0  0  3  0  0  0           0  0  0
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   11.4048   -9.3895    0.0000 O   0  0  0  0  0  0           0  0  0
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   10.1463   -7.2746    0.0000 O   0  0  0  0  0  0           0  0  0
   11.3822   -7.2544    0.0000 O   0  0  0  0  0  0           0  0  0
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   -1.4583   -6.9917    0.0000 H   0  0  0  0  0  0           0  0  0
   12.0375   -6.3083    0.0000 In  0  0  0  0  0  0           0  0  0
  2  3  1  0     0  0
 32 33  1  0     0  0
 16 17  1  0     0  0
 33 34  1  0     0  0
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 34 35  1  0     0  0
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 12  1  1  0     0  0
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 39 40  1  0     0  0
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 41 36  1  0     0  0
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 39 42  1  0     0  0
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 18 44  2  0     0  0
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 46 47  1  0     0  0
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 46 48  1  0     0  0
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 23 50  2  0     0  0
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 29 51  2  0     0  0
 30 12  1  0     0  0
  1  2  1  0     0  0
 12 52  1  0     0  0
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 52 53  1  0     0  0
  5  6  1  0     0  0
 53 54  1  0     0  0
 26 27  1  0     0  0
 54 55  1  0     0  0
 13 14  1  0     0  0
 54 56  1  0     0  0
 27 28  1  0     0  0
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 28 29  1  0     0  0
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 14 15  1  0     0  0
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 29 30  1  0     0  0
 60 61  2  0     0  0
  6  7  2  0     0  0
 60 62  1  0     0  0
 15 31  2  0     0  0
 43 63  1  6     0  0
 15 16  1  0     0  0
 16 64  1  6     0  0
 16 32  1  0     0  0
M  ISO  1  65 111
M  END

$$$$
D03YMX
  -OEChem-10101305022D

 24 25  0     0  0  0  0  0  0999 V2000
    6.0010   -0.5000    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -2.5000    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -2.5000    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    2.5000    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    2.5000    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -0.5000    0.0000 O   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
    5.1350    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  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
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    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
    6.0010    0.5000    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
    6.8671    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.2690   -3.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    7.4040    0.6900    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
  1 11  1  0  0  0  0
  2 12  1  0  0  0  0
  3 13  1  0  0  0  0
  4 15  1  0  0  0  0
  5 19  1  0  0  0  0
  6  8  1  0  0  0  0
  6  9  1  0  0  0  0
  7 10  1  0  0  0  0
  7 24  1  0  0  0  0
  8 10  2  0  0  0  0
  8 11  1  0  0  0  0
  9 15  2  0  0  0  0
  9 16  1  0  0  0  0
 10 12  1  0  0  0  0
 11 13  2  0  0  0  0
 12 14  2  0  0  0  0
 13 14  1  0  0  0  0
 14 20  1  0  0  0  0
 15 17  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 22  1  0  0  0  0
 18 19  1  0  0  0  0
 18 23  1  0  0  0  0
M  END

$$$$
D03YQY
  -OEChem-10101305032D

 38 39  0     1  0  0  0  0  0999 V2000
    4.5981   -0.3660    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2320    1.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.3660    0.0000 N   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
    2.8660   -0.3660    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.7320    0.1340    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.5981   -1.3660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2320   -2.7320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2320   -2.7320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2320    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.1340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2320    1.0000    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
    5.7320    1.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2320    2.7320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2320    2.7320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7320    1.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -0.6760    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8101   -1.9486    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2087   -1.2584    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6951   -3.0420    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    6.7320    2.4860    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  7  1  0  0  0  0
  6  2  1  1  0  0  0
  2 31  1  0  0  0  0
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  3  5  1  0  0  0  0
  3 19  1  0  0  0  0
  4  7  1  0  0  0  0
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  4  9  1  0  0  0  0
  5  6  1  0  0  0  0
  5 11  1  1  0  0  0
  5 18  1  0  0  0  0
  6 10  1  0  0  0  0
  7 20  1  0  0  0  0
  7 21  1  0  0  0  0
  8 22  1  0  0  0  0
  8 23  1  0  0  0  0
  8 24  1  0  0  0  0
  9 25  1  0  0  0  0
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  9 27  1  0  0  0  0
 10 12  1  0  0  0  0
 10 13  2  0  0  0  0
 11 28  1  0  0  0  0
 11 29  1  0  0  0  0
 11 30  1  0  0  0  0
 12 14  2  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
 14 16  1  0  0  0  0
 14 17  1  0  0  0  0
 15 16  2  0  0  0  0
 15 34  1  0  0  0  0
 16 35  1  0  0  0  0
 17 36  1  0  0  0  0
 17 37  1  0  0  0  0
 17 38  1  0  0  0  0
M  END

$$$$
D03YRN
  -OEChem-10191522262D

 50 51  0     0  0  0  0  0  0999 V2000
    5.4641   -3.2500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    3.2500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942    8.2500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -8.2500    0.0000 S   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
    7.1962    1.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    3.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -6.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942    6.2500    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
    5.4641   -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
    5.4641   -1.2500    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
    7.1962    2.7500    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
    8.0622    4.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -4.7500    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
    7.1962    4.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.9282    5.7500    0.0000 C   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
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    3.7320   -6.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.1951   -2.9400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991    2.9400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.3291   -4.4400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -4.4400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1 15  2  0  0  0  0
  2 16  2  0  0  0  0
  3 30  2  0  0  0  0
  4 29  2  0  0  0  0
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  5 15  1  0  0  0  0
  5 39  1  0  0  0  0
  6 13  1  0  0  0  0
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  6 40  1  0  0  0  0
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  8 42  1  0  0  0  0
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  9 29  2  0  0  0  0
 10 23  1  0  0  0  0
 10 30  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
 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 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
 17 19  2  0  0  0  0
 17 22  1  0  0  0  0
 18 20  2  0  0  0  0
 18 21  1  0  0  0  0
 19 24  1  0  0  0  0
 19 44  1  0  0  0  0
 20 23  1  0  0  0  0
 20 43  1  0  0  0  0
 21 26  2  0  0  0  0
 21 46  1  0  0  0  0
 22 25  2  0  0  0  0
 22 45  1  0  0  0  0
 23 28  2  0  0  0  0
 24 27  2  0  0  0  0
 25 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 50  1  0  0  0  0
 28 49  1  0  0  0  0
M  END

$$$$
D03YRO
  -OEChem-10101305022D

 30 30  0     1  0  0  0  0  0999 V2000
    4.2208   -1.5310    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7208    0.0078    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4608   -1.2522    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0298   -0.9432    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.7208    0.0078    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.9809   -1.2522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3086    0.8168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1888   -2.2304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9019    1.7304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4118   -0.9432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1399   -2.5394    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4897    2.5394    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1268   -1.5556    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4394    0.5603    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6005   -1.2306    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    5.8226    1.1636    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5692   -2.2520    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1025   -2.8444    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4712    2.1764    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3879    1.3837    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9483   -3.1291    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7295   -2.7310    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3315   -1.9498    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9912    2.1750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8541    3.0410    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9881    2.9038    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.8374    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3318   -1.8587    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  1 10  1  0  0  0  0
  2  5  1  0  0  0  0
  2 10  2  0  0  0  0
  3 10  1  0  0  0  0
  3 29  1  0  0  0  0
  3 30  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  1  0  0  0
  4 13  1  0  0  0  0
  5  7  1  1  0  0  0
  5 14  1  0  0  0  0
  6  8  1  0  0  0  0
  6 15  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 11  1  0  0  0  0
  8 19  1  0  0  0  0
  8 20  1  0  0  0  0
  9 12  1  0  0  0  0
  9 21  1  0  0  0  0
  9 22  1  0  0  0  0
 11 23  1  0  0  0  0
 11 24  1  0  0  0  0
 11 25  1  0  0  0  0
 12 26  1  0  0  0  0
 12 27  1  0  0  0  0
 12 28  1  0  0  0  0
M  END

$$$$
D03YUL
  -OEChem-10191521412D

 60 63  0     0  0  0  0  0  0999 V2000
    5.4155    2.7970    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.2815    3.2970    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2076    3.7751    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4543    0.2096    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9155    1.9309    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4668   -2.9055    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4668    1.0945    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.9100    1.8264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4668   -4.9055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6008   -4.4055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3328   -4.4055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6008   -3.4055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3328   -3.4055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4374    2.5891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3328    1.5945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2464    1.1878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9045    1.7219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8055    0.8319    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0145    2.8209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4668   -1.9055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.4668    0.0945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3328   -1.4055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6008   -1.4055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3328   -0.4055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.9021    4.2363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.1590    4.9055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    3.6183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2079    4.5964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0683   -5.3804    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8653   -5.3804    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5449   -4.9881    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9434   -4.2978    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9902   -4.2978    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3887   -4.9881    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9434   -3.5131    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5449   -2.8229    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3887   -2.8229    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9902   -3.5131    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8397    1.1053    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6312    2.7561    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0794    3.4375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3979    2.8857    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5211    1.6571    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9694    2.3385    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1889    0.8967    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7407    0.2153    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4221    0.7671    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9299    1.4045    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8698   -1.7155    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0638   -1.7155    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8698   -0.0955    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0638   -0.0955    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    1.7472    5.0113    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  5  1  0  0  0  0
  1 14  1  0  0  0  0
  4 16  2  0  0  0  0
  5  8  1  0  0  0  0
  5 16  1  0  0  0  0
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  6 13  1  0  0  0  0
  6 20  1  0  0  0  0
  7 15  1  0  0  0  0
  7 22  1  0  0  0  0
  7 51  1  0  0  0  0
  8 17  1  0  0  0  0
  8 18  1  0  0  0  0
  8 19  1  0  0  0  0
  9 10  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 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 34  1  0  0  0  0
 11 35  1  0  0  0  0
 12 40  1  0  0  0  0
 12 41  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 21  1  0  0  0  0
 15 16  1  0  0  0  0
 17 42  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
 18 50  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 24  1  0  0  0  0
 21 27  2  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 25  1  0  0  0  0
 23 52  1  0  0  0  0
 24 26  2  0  0  0  0
 24 53  1  0  0  0  0
 25 54  1  0  0  0  0
 26 55  1  0  0  0  0
 27 29  1  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 31  2  0  0  0  0
 29 58  1  0  0  0  0
 30 31  1  0  0  0  0
 30 59  1  0  0  0  0
 31 60  1  0  0  0  0
M  END

$$$$
D03YUT
  -OEChem-10101305022D

 22 23  0     0  0  0  0  0  0999 V2000
    4.1349    3.5352    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.6750    0.0526    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9483    1.7081    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3660    1.0036    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.0352    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.5352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.5352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3660    1.0036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0570    0.0526    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.0352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9538    1.8126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.0352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5471    2.7262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.5352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.0352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4674   -0.1390    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -1.7252    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -3.3452    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1164    3.1722    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0331    2.3795    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -4.1552    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -3.3452    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  1  0  0  0  0
  2  6  1  0  0  0  0
  2  8  1  0  0  0  0
  3 11  2  0  0  0  0
  4  8  2  0  0  0  0
  4  9  1  0  0  0  0
  5  7  1  0  0  0  0
  5 15  2  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
  8 11  1  0  0  0  0
  9 16  1  0  0  0  0
 10 12  1  0  0  0  0
 10 17  1  0  0  0  0
 11 13  1  0  0  0  0
 12 14  2  0  0  0  0
 12 18  1  0  0  0  0
 13 19  1  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
M  END

$$$$
D03YUW
  -OEChem-10191522442D

 21 22  0     0  0  0  0  0  0999 V2000
    8.1424    0.3047    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1424   -1.3047    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.0000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.8660    1.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.5000    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
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    6.3301    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7260   -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
    3.7320    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    1.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -2.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1868   -0.9147    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.5981    1.1200    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
  1  6  1  0  0  0  0
  1 11  1  0  0  0  0
  2  7  1  0  0  0  0
  2 11  1  0  0  0  0
  3  5  1  0  0  0  0
  4  5  2  0  0  0  0
  5 14  1  0  0  0  0
  6  7  2  0  0  0  0
  6  9  1  0  0  0  0
  7 10  1  0  0  0  0
  8  9  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
 10 12  2  0  0  0  0
 10 16  1  0  0  0  0
 11 17  1  0  0  0  0
 11 18  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 21  1  0  0  0  0
M  CHG  2   3  -1   5   1
M  END

$$$$
D03YVB
  -OEChem-10191522132D

 79 83  0     0  0  0  0  0  0999 V2000
    3.7320   -0.5000    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
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   12.3923    2.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.1244    3.5000    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
    5.4641    0.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    8.0622    2.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    2.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.3923    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2583    2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 39 40  1  0  0  0  0
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 41 74  1  0  0  0  0
 41 75  1  0  0  0  0
 41 76  1  0  0  0  0
 42 77  1  0  0  0  0
 42 78  1  0  0  0  0
 42 79  1  0  0  0  0
M  END

$$$$
D03YVL
  -OEChem-10191521462D

 32 35  0     0  0  0  0  0  0999 V2000
    6.1279   -2.0288    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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 10 16  2  0  0  0  0
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 14 18  1  0  0  0  0
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 18 20  2  0  0  0  0
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 19 30  1  0  0  0  0
 20 31  1  0  0  0  0
 21 32  1  0  0  0  0
M  END

$$$$
D03YVX
  -OEChem-04152110592D

 37 39  0     0  0  0  0  0  0999 V2000
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 21 37  1  0  0  0  0
M  END

$$$$
D03YXB
  -OEChem-10101305022D

 86 90  0     1  0  0  0  0  0999 V2000
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 45 83  1  0  0  0  0
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M  END

$$$$
D03YZT
  -OEChem-10101305022D

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M  END

$$$$
D03ZBS
  -OEChem-10101305022D

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    1.7310   -5.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5369   -5.0600    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 14  1  0  0  0  0
  2 18  1  0  0  0  0
  3 19  1  0  0  0  0
  5 26  3  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 29  1  0  0  0  0
  7 30  1  0  0  0  0
  8 10  1  0  0  0  0
  8 31  1  0  0  0  0
  8 32  1  0  0  0  0
  9 11  1  0  0  0  0
  9 33  1  0  0  0  0
  9 34  1  0  0  0  0
 10 12  1  0  0  0  0
 10 35  1  0  0  0  0
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 11 13  1  0  0  0  0
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 13 15  1  0  0  0  0
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 14 43  1  0  0  0  0
 14 44  1  0  0  0  0
 15 16  1  0  0  0  0
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 15 46  1  0  0  0  0
 16 17  1  0  0  0  0
 16 47  1  0  0  0  0
 16 48  1  0  0  0  0
 17 49  1  0  0  0  0
 17 50  1  0  0  0  0
 17 51  1  0  0  0  0
 18 20  1  0  0  0  0
 18 52  1  0  0  0  0
 18 53  1  0  0  0  0
 19 21  2  0  0  0  0
 19 22  1  0  0  0  0
 20 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
 22 24  2  0  0  0  0
 22 58  1  0  0  0  0
 23 25  2  0  0  0  0
 23 59  1  0  0  0  0
 24 25  1  0  0  0  0
 24 60  1  0  0  0  0
 25 26  1  0  0  0  0
M  END

$$$$
D03ZDC
  -OEChem-10121500022D

 31 31  0     0  0  0  0  0  0999 V2000
    6.0010    1.3471    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    4.6350    1.7132    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    5.6350   -0.0189    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    1.8471    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5010    0.4811    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1350    2.5792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7690    1.2132    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1747    2.3320    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9770    2.6529    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -0.6529    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    0.8471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.3471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -0.6529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -1.1529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.4030   -2.1529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.2690   -2.6529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0569    0.9298    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    7.1210    0.4811    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5150    2.5792    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2320    1.5232    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.5369   -0.0329    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
  1  8  2  0  0  0  0
  1 11  1  0  0  0  0
  2  6  1  0  0  0  0
  2  7  1  0  0  0  0
  2  9  2  0  0  0  0
  2 11  1  0  0  0  0
  3 11  1  0  0  0  0
  3 21  1  0  0  0  0
  4 23  1  0  0  0  0
  5 24  1  0  0  0  0
  6 25  1  0  0  0  0
  7 26  1  0  0  0  0
 10 14  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
 12 13  1  0  0  0  0
 12 19  1  0  0  0  0
 12 20  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
 14 16  2  0  0  0  0
 15 17  1  0  0  0  0
 15 22  1  0  0  0  0
 16 18  1  0  0  0  0
 16 27  1  0  0  0  0
 17 18  2  0  0  0  0
 17 28  1  0  0  0  0
 18 29  1  0  0  0  0
M  END

$$$$
D03ZDY
  -OEChem-10101305022D

 42 44  0     1  0  0  0  0  0999 V2000
    7.1962   -1.5600    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.9400    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.9400    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.0600    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.7320    1.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.4400    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
    3.7320    2.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    2.4400    0.0000 C   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
    5.4641   -1.5600    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
    3.7320   -1.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -2.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.0600    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
    2.8660   -2.0600    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
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  1 14  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
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  3  9  1  0  0  0  0
  3 33  1  0  0  0  0
  4  7  1  0  0  0  0
  4 10  1  0  0  0  0
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  5 25  1  0  0  0  0
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  6  9  1  0  0  0  0
  6 23  1  0  0  0  0
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  7 11  1  0  0  0  0
  7 27  1  0  0  0  0
  7 28  1  0  0  0  0
  8 31  1  0  0  0  0
  8 32  1  0  0  0  0
  9 29  1  0  0  0  0
  9 30  1  0  0  0  0
 10 12  2  0  0  0  0
 10 13  1  0  0  0  0
 11 14  1  0  0  0  0
 11 15  2  0  0  0  0
 12 16  1  0  0  0  0
 12 34  1  0  0  0  0
 13 17  2  0  0  0  0
 13 35  1  0  0  0  0
 14 19  2  0  0  0  0
 15 20  1  0  0  0  0
 15 36  1  0  0  0  0
 16 18  2  0  0  0  0
 16 37  1  0  0  0  0
 17 18  1  0  0  0  0
 17 38  1  0  0  0  0
 18 39  1  0  0  0  0
 19 21  1  0  0  0  0
 19 40  1  0  0  0  0
 20 21  2  0  0  0  0
 20 41  1  0  0  0  0
 21 42  1  0  0  0  0
M  END

$$$$
D03ZDZ
  -OEChem-10101305022D

 44 44  0     1  0  0  0  0  0999 V2000
    5.1350   -2.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -0.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -4.0000    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
    6.0010    0.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    4.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    4.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -2.0000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.4030   -1.0000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.2690   -0.5000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.2690   -2.5000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.1350   -1.0000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.5369   -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
    6.0010   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1 12  1  0  0  0  0
  1 13  1  0  0  0  0
 10  2  1  6  0  0  0
  2 34  1  0  0  0  0
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 11  8  1  1  0  0  0
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 10 11  1  0  0  0  0
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 13 16  1  6  0  0  0
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 14 28  1  0  0  0  0
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 15 30  1  0  0  0  0
 16 32  1  0  0  0  0
 16 33  1  0  0  0  0
 17 35  1  0  0  0  0
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 17 37  1  0  0  0  0
 18 19  1  0  0  0  0
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 20 21  1  0  0  0  0
 20 42  1  0  0  0  0
 20 43  1  0  0  0  0
M  END

$$$$
D03ZEH
  -OEChem-04152122282D

 13 12  0     1  0  0  0  0  0999 V2000
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  4  1  1  1  0  0  0
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  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  7 12  1  0  0  0  0
M  END

$$$$
D03ZEL
  -OEChem-10191521462D

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 25 26  2  0  0  0  0
 25 53  1  0  0  0  0
 26 27  1  0  0  0  0
 26 54  1  0  0  0  0
M  END

$$$$
D03ZFX
  -OEChem-10101305022D

 62 65  0     1  0  0  0  0  0999 V2000
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 30 62  1  0  0  0  0
M  END

$$$$
D03ZHB
  -OEChem-10101305022D

 26 27  0     1  0  0  0  0  0999 V2000
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 13 23  1  0  0  0  0
 14 24  1  0  0  0  0
M  END

$$$$
D03ZHK
  -OEChem-10101305022D

 51 55  0     0  0  0  0  0  0999 V2000
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M  END

$$$$
D03ZIH
  -OEChem-10101305032D

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 44 46  1  0  0  0  0
 45 46  2  0  0  0  0
 45 76  1  0  0  0  0
 46 77  1  0  0  0  0
 48 81  1  0  0  0  0
 48 82  1  0  0  0  0
 48 83  1  0  0  0  0
M  END

$$$$
D03ZIK
  SciTegic01161211222D

 33 35  0  0  0  0            999 V2000
   -1.1786   -3.8439    0.0000 C   0  0
   -1.1786   -3.0152    0.0000 C   0  0  2  0  0  0
   -1.8991   -2.5987    0.0000 C   0  0  1  0  0  0
   -2.6154   -1.3660    0.0000 C   0  0
    0.9578    0.6997    0.0000 C   0  0
   -0.4665   -4.2562    0.0000 C   0  0
   -1.8991   -1.7741    0.0000 O   0  0
   -1.8991   -4.2562    0.0000 C   0  0
   -0.4665   -2.5987    0.0000 C   0  0  1  0  0  0
    0.9578   -0.1207    0.0000 O   0  0
    0.2541   -3.8439    0.0000 C   0  0
    0.2457    1.1120    0.0000 C   0  0
   -3.3276   -1.7783    0.0000 C   0  0
   -0.4706   -1.7741    0.0000 C   0  0
   -2.6112   -3.0152    0.0000 C   0  0
    0.2541   -3.0152    0.0000 C   0  0  2  0  0  0
    0.2416   -0.5372    0.0000 C   0  0  1  0  0  0
   -2.6154   -0.5414    0.0000 O   0  0
   -0.4706    0.6997    0.0000 C   0  0  1  0  0  0
    1.6742    1.1120    0.0000 O   0  0
   -2.6112   -3.8439    0.0000 C   0  0  1  0  0  0
   -0.4706   -0.1291    0.0000 C   0  0
    0.2457   -1.3618    0.0000 C   0  0
   -1.1827    1.1120    0.0000 O   0  0
   -4.0480   -2.1822    0.0000 C   0  0
   -2.9194   -2.4946    0.0000 C   0  0
   -3.7357   -1.0620    0.0000 C   0  0
    0.9662   -2.6029    0.0000 C   0  0
   -3.3276   -4.2562    0.0000 C   0  0
   -4.7560   -1.7658    0.0000 C   0  0
   -1.1869   -2.1906    0.0000 H   0  0
   -0.4748   -0.9412    0.0000 H   0  0
    0.2416   -2.1781    0.0000 H   0  0
  2  1  1  0
  3  2  1  0
  4  7  1  0
  5 10  1  0
  6  1  1  0
  3  7  1  6
  8  1  2  0
  9  2  1  0
 10 17  1  0
 11  6  2  0
 12 19  1  0
 13  4  1  0
 14  9  1  0
 15 21  1  0
 16  9  1  0
 17 23  1  0
 18  4  2  0
 19 22  1  0
 20  5  2  0
 21  8  1  0
 22 17  1  0
 23 14  1  0
 19 24  1  1
 25 13  1  0
 26 13  1  0
 27 13  1  0
 16 28  1  1
 21 29  1  6
 30 25  1  0
  2 31  1  1
 17 32  1  1
  9 33  1  6
  3 15  1  0
 16 11  1  0
 12  5  1  0
M  END

$$$$
D03ZKN
  -OEChem-10191521422D

 18 17  0     0  0  0  0  0  0999 V2000
    7.7331    0.5950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -0.9050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.5950    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    0.5950    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -0.9050    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    0.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    0.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    0.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    0.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7365   -0.3799    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5335   -0.3799    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3996    1.0700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6025    1.0700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.2850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    1.2150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9399   -1.2150    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
    8.2700    0.2850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
  1 18  1  0  0  0  0
  2  8  2  0  0  0  0
  3  6  1  0  0  0  0
  3  9  2  0  0  0  0
  4  9  1  0  0  0  0
  4 14  1  0  0  0  0
  4 15  1  0  0  0  0
  5  9  1  0  0  0  0
  5 16  1  0  0  0  0
  5 17  1  0  0  0  0
  6  7  1  0  0  0  0
  6 10  1  0  0  0  0
  6 11  1  0  0  0  0
  7  8  1  0  0  0  0
  7 12  1  0  0  0  0
  7 13  1  0  0  0  0
M  END

$$$$
D03ZMQ
  -OEChem-10101305022D

 36 37  0     1  0  0  0  0  0999 V2000
    2.8660    0.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2241    1.7847    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9942    1.7742    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.2500    0.0000 C   0  0  3  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   -1.2500    0.0000 C   0  0  3  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
    5.4641   -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
    2.8660   -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
    5.4641    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2241   -0.2847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1301    0.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1301    1.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.6000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.1000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    2.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -0.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2169   -0.9046    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2460   -2.7500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4860   -2.7500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.6300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -1.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6659   -0.0829    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3520    2.7500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    3.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1120    2.7500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1 25  1  0  0  0  0
  2  8  1  0  0  0  0
  2 30  1  0  0  0  0
  3  9  1  0  0  0  0
  3 20  1  0  0  0  0
  4 13  1  0  0  0  0
  4 19  1  0  0  0  0
  5 19  2  0  0  0  0
  6  7  1  0  0  0  0
  6  8  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 12  1  0  0  0  0
  8 22  1  0  0  0  0
  9 14  1  0  0  0  0
 10 11  2  0  0  0  0
 10 23  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 17  2  0  0  0  0
 13 14  2  0  0  0  0
 14 24  1  0  0  0  0
 15 18  2  0  0  0  0
 15 26  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 31  1  0  0  0  0
 17 32  1  0  0  0  0
 18 19  1  0  0  0  0
 18 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

$$$$
D03ZNB
  -OEChem-10191522202D

 21 20  0     1  0  0  0  0  0999 V2000
    6.0010    1.0600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    2.5600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    1.5600    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -1.9400    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -0.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    1.0600    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.4030   -1.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    1.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4810   -0.5226    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8796    0.1677    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1909    0.1426    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7924   -0.5477    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    1.6800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6150   -2.0226    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0135   -1.3323    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    2.1800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -2.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.6300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5380    1.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  1 21  1  0  0  0  0
  2  9  2  0  0  0  0
  7  3  1  6  0  0  0
  3 17  1  0  0  0  0
  3 18  1  0  0  0  0
  4  8  1  0  0  0  0
  4 19  1  0  0  0  0
  4 20  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6  8  1  0  0  0  0
  6 12  1  0  0  0  0
  6 13  1  0  0  0  0
  7  9  1  0  0  0  0
  7 14  1  0  0  0  0
  8 15  1  0  0  0  0
  8 16  1  0  0  0  0
M  END

$$$$
D03ZOJ
  -OEChem-10101305022D

 60 63  0     1  0  0  0  0  0999 V2000
    8.9282   -0.5000    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    6.3301    0.0000    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
   12.4725    1.3047    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.0561    0.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942    0.0000    0.0000 C   0  0  3  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
   10.6603   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603    1.5000    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
   11.5263    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282   -1.5000    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
    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
    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
    8.0622   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4725   -0.3047    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
    8.0622   -3.0000    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
    2.8660    1.0000    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
    2.0000    1.5000    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
    9.2573    0.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5822    1.5826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1836    0.8923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2617   -0.9749    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0588   -0.9749    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4607    0.4749    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6636    0.4749    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0588    1.9750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2617    1.9750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7976   -0.9749    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5947   -0.9749    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1403   -2.0826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5388   -1.3923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0656   -0.9749    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8626   -0.9749    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9407    0.8923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5422    1.5826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9875    0.1077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3860   -0.5826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8626    1.9750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0656    1.9750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8501   -1.4174    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4516   -2.1077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.6651   -0.8941    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.6651    1.8940    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4422   -3.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -3.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6822   -3.0000    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
    2.8660    0.3800    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    1.1900    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  6  1  0  0  0  0
  1  9  1  0  0  0  0
  1 13  1  0  0  0  0
  2 11  1  0  0  0  0
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  2 16  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
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  4 14  1  0  0  0  0
  4 52  1  0  0  0  0
  5 20  2  0  0  0  0
  6  7  1  0  0  0  0
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  6 28  1  0  0  0  0
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 10 14  1  0  0  0  0
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 18 48  1  0  0  0  0
 19 22  1  0  0  0  0
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 19 50  1  0  0  0  0
 20 51  1  0  0  0  0
 21 23  2  0  0  0  0
 21 24  1  0  0  0  0
 22 53  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
 24 26  2  0  0  0  0
 24 57  1  0  0  0  0
 25 27  2  0  0  0  0
 25 58  1  0  0  0  0
 26 27  1  0  0  0  0
 26 59  1  0  0  0  0
 27 60  1  0  0  0  0
M  END

$$$$
D03ZPH
  -OEChem-10191521292D

 54 54  0     1  0  0  0  0  0999 V2000
    7.4820   -3.8907    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3299   -1.8216    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5896    1.3707    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0544   -0.2766    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7608   -2.1307    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.0698   -3.0817    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.0698   -3.0817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5698   -1.5429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8097   -1.8216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3788   -2.1307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.1155   -2.1818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.0050   -3.6983    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    6.3211   -1.4399    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    6.1955   -3.0972    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 10  2  0  0  0  0
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  3 54  1  0  0  0  0
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  5  9  1  6  0  0  0
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  6  7  1  0  0  0  0
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 11 14  1  0  0  0  0
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 13 15  1  0  0  0  0
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 16 17  1  0  0  0  0
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 17 42  1  0  0  0  0
 18 20  1  0  0  0  0
 18 40  1  0  0  0  0
 18 41  1  0  0  0  0
 19 22  1  0  0  0  0
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 20 21  1  0  0  0  0
 20 43  1  0  0  0  0
 20 44  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 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
 23 52  1  0  0  0  0
 23 53  1  0  0  0  0
M  END

$$$$
D03ZSY
  -OEChem-10101305032D

 22 21  0     0  0  0  0  0  0999 V2000
    6.8671    0.9050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    2.4050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -2.0950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    2.4050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -0.5950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    5.1350    0.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    0.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8660   -2.4050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  1  0  0  0  0
  1 20  1  0  0  0  0
  2 12  1  0  0  0  0
  2 21  1  0  0  0  0
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  3 22  1  0  0  0  0
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  7  8  1  0  0  0  0
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  7 10  1  0  0  0  0
  8 13  1  0  0  0  0
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  9 16  1  0  0  0  0
  9 17  1  0  0  0  0
 10 11  1  0  0  0  0
 10 18  1  0  0  0  0
 10 19  1  0  0  0  0
M  END

$$$$
D03ZUB
  -OEChem-10191522392D

 40 42  0     1  0  0  0  0  0999 V2000
    3.0000    0.7306    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.6132    1.0823    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.0000    0.7306    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.7306    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    1.7306    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    3.8090    2.3184    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.5000    3.2694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5000    3.2694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1910    2.3184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7601    2.0094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -0.2694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5032    2.6785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9680    1.0312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1340   -0.7694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  3  2  0  0  0  0
  1  4  2  0  0  0  0
  1  5  1  0  0  0  0
  1 11  1  0  0  0  0
  2 18  1  0  0  0  0
  5  6  1  0  0  0  0
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  6  7  1  0  0  0  0
  6 10  1  0  0  0  0
  6 23  1  0  0  0  0
  7  8  1  0  0  0  0
  7 24  1  0  0  0  0
  7 25  1  0  0  0  0
  8  9  1  0  0  0  0
  8 26  1  0  0  0  0
  8 27  1  0  0  0  0
  9 28  1  0  0  0  0
  9 29  1  0  0  0  0
 10 12  2  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
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 12 30  1  0  0  0  0
 13 17  2  0  0  0  0
 13 31  1  0  0  0  0
 14 19  1  0  0  0  0
 14 32  1  0  0  0  0
 15 20  2  0  0  0  0
 15 33  1  0  0  0  0
 16 18  2  0  0  0  0
 16 34  1  0  0  0  0
 17 18  1  0  0  0  0
 17 35  1  0  0  0  0
 19 21  2  0  0  0  0
 19 36  1  0  0  0  0
 20 21  1  0  0  0  0
 20 37  1  0  0  0  0
 21 22  1  0  0  0  0
 22 38  1  0  0  0  0
 22 39  1  0  0  0  0
 22 40  1  0  0  0  0
M  END

$$$$
D03ZUJ
  -OEChem-10191521482D

 63 65  0     0  0  0  0  0  0999 V2000
    3.7320    2.7500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    3.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7320    2.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7320    2.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    5.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8660   -1.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    5.7500    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
    5.4641    6.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 32 63  1  0  0  0  0
M  END

$$$$
D03ZUM
  -OEChem-10101305032D

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M  END

$$$$
D03ZUZ
  -OEChem-10101305022D

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 10 12  1  0  0  0  0
 10 28  1  0  0  0  0
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 13 34  1  0  0  0  0
 13 35  1  0  0  0  0
 14 15  1  0  0  0  0
 14 36  1  0  0  0  0
 14 37  1  0  0  0  0
 17 18  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 41  1  0  0  0  0
 20 22  2  0  0  0  0
 20 42  1  0  0  0  0
 21 23  2  0  0  0  0
 21 44  1  0  0  0  0
 22 23  1  0  0  0  0
 22 45  1  0  0  0  0
 23 46  1  0  0  0  0
M  END

$$$$
D03ZVM
  -OEChem-10101305022D

 42 44  0     1  0  0  0  0  0999 V2000
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 10 32  1  0  0  0  0
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 18 40  1  0  0  0  0
 19 20  1  0  0  0  0
 19 41  1  0  0  0  0
 20 42  1  0  0  0  0
M  END

$$$$
D03ZWB
  -OEChem-10191521382D

 44 46  0     0  0  0  0  0  0999 V2000
    8.0622   -1.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0000    2.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 14 28  1  0  0  0  0
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 17 23  1  0  0  0  0
 17 33  1  0  0  0  0
 18 24  2  0  0  0  0
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 23 37  1  0  0  0  0
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 26 42  1  0  0  0  0
 26 43  1  0  0  0  0
 26 44  1  0  0  0  0
M  END

$$$$
D03ZWK
  -OEChem-10191521362D

 35 35  0     0  0  0  0  0  0999 V2000
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 13 15  2  0  0  0  0
 13 33  1  0  0  0  0
 14 15  1  0  0  0  0
 14 34  1  0  0  0  0
M  END

$$$$
D03ZWL
  -OEChem-10121501592D

 64 68  0     1  0  0  0  0  0999 V2000
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 31 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
M  END

$$$$
D04AAI
  -OEChem-10101305032D

 45 47  0     0  0  0  0  0  0999 V2000
    7.1962    3.2500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.1962    3.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1962    3.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 22 43  1  0  0  0  0
 22 44  1  0  0  0  0
 23 45  1  0  0  0  0
M  END

$$$$
D04AAT
  -OEChem-10191522002D

 43 46  0     1  0  0  0  0  0999 V2000
    2.0000    1.0219    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
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 16 39  1  0  0  0  0
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 17 40  1  0  0  0  0
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 18 41  1  0  0  0  0
 19 20  1  0  0  0  0
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 21 22  1  0  0  0  0
 21 42  1  0  0  0  0
 22 23  2  0  0  0  0
 22 43  1  0  0  0  0
M  END

$$$$
D04AAV
  -OEChem-10101305022D

 38 39  0     0  0  0  0  0  0999 V2000
    4.9889   -0.9008    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9889    2.6097    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7619   -1.7436    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2619    0.8544    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.3544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.3544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2619   -2.6097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2619   -0.8776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783    1.6592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.7619   -1.7436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2619    0.8544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0000    1.3544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 11 19  1  0  0  0  0
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 17 37  1  0  0  0  0
 18 38  1  0  0  0  0
 19 20  3  0  0  0  0
M  END

$$$$
D04ACJ
  -OEChem-10101305022D

 38 40  0     0  0  0  0  0  0999 V2000
    2.8660   -0.2844    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    9.2334    0.4328    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2764   -1.5891    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    7.8600   -0.7844    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2764    0.0204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.2844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 10 23  1  0  0  0  0
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 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
M  END

$$$$
D04AED
  -OEChem-10101305022D

 51 54  0     0  0  0  0  0  0999 V2000
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 15 38  1  0  0  0  0
 16 39  1  0  0  0  0
 17 40  1  0  0  0  0
 18 23  2  0  0  0  0
 18 41  1  0  0  0  0
 19 24  2  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  1  0  0  0  0
 21 44  1  0  0  0  0
 22 25  1  0  0  0  0
 23 45  1  0  0  0  0
 24 46  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 47  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

$$$$
D04AEG
  -OEChem-10101305022D

 34 37  0     0  0  0  0  0  0999 V2000
    5.4836    1.9112    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.5662   -1.2912    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2983   -1.2912    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6527    0.3020    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.1643    0.2088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4323    0.2088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1643   -0.7912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2983    0.7088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5662    0.7088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4323   -0.7912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0583    0.7434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0583   -1.3259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9836    1.0452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4617    1.7033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9890    0.9407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9643    0.2296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9643   -0.8120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4013    1.7497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5823    0.0271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4067    1.6452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5878   -0.0774    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.7316    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2983    1.3288    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2983   -1.9112    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0511    1.3634    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0511   -1.9458    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9225    2.1182    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5001    0.5417    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5001   -1.1241    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6534    2.3161    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9467   -0.4745    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0423    2.1467    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3356   -0.6438    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3834    0.6668    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 10  2  0  0  0  0
  3  7  1  0  0  0  0
  3 10  1  0  0  0  0
  3 24  1  0  0  0  0
  4  9  1  0  0  0  0
  4 13  2  0  0  0  0
  5  7  1  0  0  0  0
  5  8  1  0  0  0  0
  5 11  2  0  0  0  0
  6  8  2  0  0  0  0
  6  9  1  0  0  0  0
  6 10  1  0  0  0  0
  7 12  2  0  0  0  0
  8 23  1  0  0  0  0
  9 14  2  0  0  0  0
 11 16  1  0  0  0  0
 11 25  1  0  0  0  0
 12 17  1  0  0  0  0
 12 26  1  0  0  0  0
 13 15  1  0  0  0  0
 14 27  1  0  0  0  0
 15 18  2  0  0  0  0
 15 19  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
 18 20  1  0  0  0  0
 18 30  1  0  0  0  0
 19 21  2  0  0  0  0
 19 31  1  0  0  0  0
 20 22  2  0  0  0  0
 20 32  1  0  0  0  0
 21 22  1  0  0  0  0
 21 33  1  0  0  0  0
 22 34  1  0  0  0  0
M  END

$$$$
D04AGC
  -OEChem-10101305022D

 34 36  0     1  0  0  0  0  0999 V2000
    2.0000    2.5670    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.3660    2.9330    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.3660    1.2010    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.4330    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.0670    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.0670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.9330    0.0000 C   0  0  3  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
    3.7320   -1.4330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.5670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.5670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.5670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3580    0.0323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3580    2.1016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.9330    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
    7.2641    0.5462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641    1.5878    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
    2.0000   -1.4330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.9330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.4330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.5530    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951    0.2570    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3509   -0.5876    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3509    2.7216    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.3130    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -2.7430    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7998    0.2341    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7998    1.8999    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -2.0530    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -1.1230    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.5530    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -2.7430    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  7  1  0  0  0  0
  4 31  1  0  0  0  0
  5 10  1  0  0  0  0
  5 12  2  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6 11  2  0  0  0  0
  7  9  1  0  0  0  0
  7 23  1  0  0  0  0
  8 10  1  0  0  0  0
  8 13  2  0  0  0  0
  9 15  2  0  0  0  0
  9 16  1  0  0  0  0
 10 14  2  0  0  0  0
 11 12  1  0  0  0  0
 11 24  1  0  0  0  0
 12 19  1  0  0  0  0
 13 17  1  0  0  0  0
 13 25  1  0  0  0  0
 14 18  1  0  0  0  0
 14 26  1  0  0  0  0
 15 20  1  0  0  0  0
 15 27  1  0  0  0  0
 16 21  2  0  0  0  0
 16 28  1  0  0  0  0
 17 18  2  0  0  0  0
 17 29  1  0  0  0  0
 18 30  1  0  0  0  0
 20 22  2  0  0  0  0
 20 32  1  0  0  0  0
 21 22  1  0  0  0  0
 21 33  1  0  0  0  0
 22 34  1  0  0  0  0
M  END

$$$$
D04AGE
  -OEChem-10101305032D

 36 39  0     0  0  0  0  0  0999 V2000
    8.9094    2.5924    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.1628    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2669   -2.5924    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0531    1.6624    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4103   -1.6419    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7210    0.9181    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.5238   -1.3372    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.9939   -0.8372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.3372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4103   -0.0324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.3372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9939   -0.8372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5775   -0.0324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.1628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5281   -0.3431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.8372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5775   -1.6419    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.3372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.3372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3713    0.9461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2724    0.3247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1156    1.6139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0661    1.3032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.3372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6029   -2.2312    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.7828    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.4572    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951   -1.6472    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7820    1.1387    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   10.8617    0.1321    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5276    1.7173    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2458    2.2517    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900    0.1998    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -0.6472    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   -0.8741    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 22  1  0  0  0  0
  2 18  1  0  0  0  0
  2 24  1  0  0  0  0
  3 17  2  0  0  0  0
  4  6  1  0  0  0  0
  4 33  1  0  0  0  0
  5  8  1  0  0  0  0
  5 11  1  0  0  0  0
  5 25  1  0  0  0  0
  6 10  1  0  0  0  0
  6 30  1  0  0  0  0
  7 15  2  0  0  0  0
  7 17  1  0  0  0  0
  8 10  2  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 14  1  0  0  0  0
 11 16  1  0  0  0  0
 12 13  2  0  0  0  0
 12 17  1  0  0  0  0
 13 15  1  0  0  0  0
 13 20  1  0  0  0  0
 14 18  2  0  0  0  0
 14 26  1  0  0  0  0
 15 21  1  0  0  0  0
 16 19  2  0  0  0  0
 16 27  1  0  0  0  0
 18 19  1  0  0  0  0
 19 28  1  0  0  0  0
 20 22  2  0  0  0  0
 20 29  1  0  0  0  0
 21 23  2  0  0  0  0
 21 31  1  0  0  0  0
 22 23  1  0  0  0  0
 23 32  1  0  0  0  0
 24 34  1  0  0  0  0
 24 35  1  0  0  0  0
 24 36  1  0  0  0  0
M  END

$$$$
D04ALU
  -OEChem-10191521212D

 55 57  0     1  0  0  0  0  0999 V2000
    5.9088   -0.8608    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000    0.2627    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3104    1.9455    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4399   -3.7656    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000    1.9948    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9088    1.3862    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6208    4.0163    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9339   -0.6382    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.5000    0.2627    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.9339    1.1637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1313    2.3612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6906    0.7627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3104   -1.4201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6906   -0.2373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3983    3.0413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5846    1.2974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5846   -0.7719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3216   -1.2710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4906    0.7836    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8053   -4.6964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1387   -1.2234    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1701    0.7877    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7026    2.1203    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4677    2.8820    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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 27 28  1  0  0  0  0
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 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
M  END

$$$$
D04AMC
  -OEChem-10101305022D

 63 62  0     0  0  0  0  0  0999 V2000
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 13 44  1  0  0  0  0
 15 19  2  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
 17 21  1  0  0  0  0
 17 47  1  0  0  0  0
 17 48  1  0  0  0  0
 18 24  1  0  0  0  0
 18 49  1  0  0  0  0
 18 50  1  0  0  0  0
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 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 25  2  0  0  0  0
 21 54  1  0  0  0  0
 22 25  1  0  0  0  0
 22 26  1  0  0  0  0
 22 55  1  0  0  0  0
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 23 26  2  0  0  0  0
 23 57  1  0  0  0  0
 24 58  1  0  0  0  0
 24 59  1  0  0  0  0
 25 60  1  0  0  0  0
 26 61  1  0  0  0  0
M  END

$$$$
D04AQE
  -OEChem-10191523052D

 28 29  0     0  0  0  0  0  0999 V2000
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  1 12  1  0  0  0  0
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  3 10  1  0  0  0  0
  3 24  1  0  0  0  0
  3 25  1  0  0  0  0
  4  5  1  0  0  0  0
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  4  8  2  0  0  0  0
  5  7  2  0  0  0  0
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 10 20  1  0  0  0  0
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 11 13  2  0  0  0  0
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 13 23  1  0  0  0  0
 14 26  1  0  0  0  0
 14 27  1  0  0  0  0
 14 28  1  0  0  0  0
M  END

$$$$
D04AQW
  -OEChem-10101305032D

 34 36  0     0  0  0  0  0  0999 V2000
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    8.3578   -0.6022    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9871   -2.2262    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
  2  6  2  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3  6  1  0  0  0  0
  4  7  1  0  0  0  0
  4  8  1  0  0  0  0
  4 20  1  0  0  0  0
  5  9  1  0  0  0  0
  5 12  2  0  0  0  0
  6 10  1  0  0  0  0
  7 23  1  0  0  0  0
  7 24  1  0  0  0  0
  7 25  1  0  0  0  0
  8 21  1  0  0  0  0
  8 22  1  0  0  0  0
  8 26  1  0  0  0  0
  9 13  2  0  0  0  0
 10 11  1  0  0  0  0
 10 14  2  0  0  0  0
 11 16  2  0  0  0  0
 12 15  1  0  0  0  0
 12 27  1  0  0  0  0
 13 17  1  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 17  2  0  0  0  0
 15 30  1  0  0  0  0
 16 19  1  0  0  0  0
 16 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
M  END

$$$$
D04ARH
  -OEChem-10101305032D

 55 55  0     0  0  0  0  0  0999 V2000
    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 O   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
    2.8660   -1.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.5000    0.0000 N   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
    3.7320   -2.5000    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
    3.7320   -3.5000    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   -0.5000    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    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
    2.0000   -5.5000    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    4.0000    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
    7.1962    5.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -6.5000    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
    3.4030   -1.6900    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
    4.3426   -2.6077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9441   -1.9174    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3894   -3.3923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7880   -4.0826    0.0000 H   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
    2.3291   -0.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6762    1.9174    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0747    2.6077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3860    2.5826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9875    1.8923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2520    4.0826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8535    3.3923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7880   -4.9174    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3894   -5.6077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8101    0.4174    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2087    1.1077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5422    3.4174    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9407    4.1077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951    0.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1181    5.5826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7196    4.8923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4082    4.9174    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8067    5.6077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3800   -6.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -7.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6200   -6.5000    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
  1 11  2  0  0  0  0
  2 12  2  0  0  0  0
  3  9  1  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 12  1  0  0  0  0
  4 32  1  0  0  0  0
  5 12  1  0  0  0  0
  5 17  1  0  0  0  0
  5 45  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  9  1  0  0  0  0
  7 24  1  0  0  0  0
  7 25  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 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 16  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 17  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 37  1  0  0  0  0
 15 38  1  0  0  0  0
 16 21  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
 18 43  1  0  0  0  0
 18 44  1  0  0  0  0
 19 20  1  0  0  0  0
 19 46  1  0  0  0  0
 19 47  1  0  0  0  0
 20 22  1  0  0  0  0
 20 48  1  0  0  0  0
 20 49  1  0  0  0  0
 21 50  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
 22 55  1  0  0  0  0
M  END

$$$$
D04ATN
  -OEChem-10101305022D

 31 32  0     0  0  0  0  0  0999 V2000
    2.8660    0.5406    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7891    4.1284    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0981    5.0794    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.0406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.5406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.0406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    3.5406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4071    4.1284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.4594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0981    5.0794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.9594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.9594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.9594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.9594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.4594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.4594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -4.4594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5200    2.6232    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1215    1.9329    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8101    1.9580    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2087    2.6482    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9441    0.4580    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3426    1.1482    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1994    3.9368    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9967    3.9368    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7336    5.5810    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -0.6494    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -0.6494    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -2.2694    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -2.2694    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -5.0794    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  9  1  0  0  0  0
  2  7  1  0  0  0  0
  2 10  1  0  0  0  0
  2 24  1  0  0  0  0
  3  8  1  0  0  0  0
  3 10  2  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4 18  1  0  0  0  0
  4 19  1  0  0  0  0
  5  7  1  0  0  0  0
  5 20  1  0  0  0  0
  5 21  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 25  1  0  0  0  0
  9 11  2  0  0  0  0
  9 12  1  0  0  0  0
 10 26  1  0  0  0  0
 11 13  1  0  0  0  0
 11 27  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 15  1  0  0  0  0
 14 30  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  3  0  0  0  0
 17 31  1  0  0  0  0
M  END

$$$$
D04ATU
  -OEChem-10101305022D

 31 34  0     0  0  0  0  0  0999 V2000
    8.2801    1.5164    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6328    0.9812    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6068    1.5518    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2727   -0.7130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4670   -1.2952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9637    0.2380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6632   -0.7102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9696    0.2355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2509   -0.9209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9200   -0.1778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2880    1.0150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6540   -0.9420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6110    0.7733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5574   -1.9164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2737    0.8066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9546   -0.1784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9421   -0.3786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5746   -2.1408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2716   -1.3668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0514   -1.7554    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8809   -1.7568    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4412    1.5708    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4859    1.6025    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4698   -1.5340    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1373   -2.3723    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3488   -0.3102    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3516    0.0869    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7639   -2.7312    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8785   -1.4933    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.4247    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8002    2.1408    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  2  0  0  0  0
  2  6  1  0  0  0  0
  2 13  1  0  0  0  0
  2 22  1  0  0  0  0
  3 15  1  0  0  0  0
  3 30  1  0  0  0  0
  3 31  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  2  0  0  0  0
  4  9  1  0  0  0  0
  5  7  1  0  0  0  0
  5 20  1  0  0  0  0
  5 21  1  0  0  0  0
  6  8  1  0  0  0  0
  7  8  2  0  0  0  0
  7 12  1  0  0  0  0
  8 11  1  0  0  0  0
  9 10  1  0  0  0  0
  9 14  2  0  0  0  0
 10 13  1  0  0  0  0
 10 17  2  0  0  0  0
 11 15  2  0  0  0  0
 11 23  1  0  0  0  0
 12 16  2  0  0  0  0
 12 24  1  0  0  0  0
 14 18  1  0  0  0  0
 14 25  1  0  0  0  0
 15 16  1  0  0  0  0
 16 26  1  0  0  0  0
 17 19  1  0  0  0  0
 17 27  1  0  0  0  0
 18 19  2  0  0  0  0
 18 28  1  0  0  0  0
 19 29  1  0  0  0  0
M  END

$$$$
D04ATY
  -OEChem-04152110322D

 94100  0     1  0  0  0  0  0999 V2000
    8.2565   -0.7797    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7390   -1.9486    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9163    1.8132    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0415    3.1251    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1289    2.6965    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0503   -2.4219    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0531    2.4691    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5129    0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6166    1.9203    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7210   -0.0158    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    5.6676    0.3794    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.3459    0.9204    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.6676   -0.4881    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.6656    0.2734    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.1918   -0.8360    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.1918    0.7273    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.5682   -0.0544    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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M  END

$$$$
D04AUL
  -OEChem-10101305022D

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 25 57  1  0  0  0  0
M  END

$$$$
D04AUM
  -OEChem-10101305022D

 55 57  0     0  0  0  0  0  0999 V2000
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 25 26  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

$$$$
D04AWP
  -OEChem-10191523042D

 38 40  0     1  0  0  0  0  0999 V2000
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 15  3  1  6  0  0  0
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 17  4  1  6  0  0  0
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 20 22  2  0  0  0  0
 21 33  1  0  0  0  0
 22 23  1  0  0  0  0
M  END

$$$$
D04AWS
  -OEChem-10101305032D

 40 43  0     0  0  0  0  0  0999 V2000
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  1 13  1  0  0  0  0
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 11 13  1  0  0  0  0
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 15 33  1  0  0  0  0
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 16 34  1  0  0  0  0
 17 22  1  0  0  0  0
 17 35  1  0  0  0  0
 18 21  1  0  0  0  0
 18 36  1  0  0  0  0
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 20 22  2  0  0  0  0
 20 37  1  0  0  0  0
 21 40  1  0  0  0  0
 22 39  1  0  0  0  0
M  END

$$$$
D04AXH
  -OEChem-10101305022D

 68 69  0     1  0  0  0  0  0999 V2000
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 28 67  1  0  0  0  0
 28 68  1  0  0  0  0
M  END

$$$$
D04AXP
  -OEChem-04152122272D

 46 49  0     1  0  0  0  0  0999 V2000
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 10 13  1  0  0  0  0
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M  END

$$$$
D04AXR
  -OEChem-10101305032D

 16 17  0     0  0  0  0  0  0999 V2000
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 11 15  1  0  0  0  0
 12 16  1  0  0  0  0
M  END

$$$$
D04AXY
  -OEChem-10101305032D

 40 43  0     0  0  0  0  0  0999 V2000
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 19 38  1  0  0  0  0
 20 21  2  0  0  0  0
 20 39  1  0  0  0  0
 21 40  1  0  0  0  0
M  END

$$$$
D04AYN
  -OEChem-04152110362D

 66 71  0     1  0  0  0  0  0999 V2000
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 38 39  2  0  0  0  0
 38 65  1  0  0  0  0
 39 66  1  0  0  0  0
M  END

$$$$
D04AZE
  -OEChem-10191522402D

 34 36  0     0  0  0  0  0  0999 V2000
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 20 34  1  0  0  0  0
M  END

$$$$
D04BBF
  -OEChem-10101305032D

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M  END

$$$$
D04BBK
  -OEChem-10101305032D

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M  END

$$$$
D04BDL
  -OEChem-10191521572D

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 10 12  1  0  0  0  0
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 13 45  1  0  0  0  0
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 16 49  1  0  0  0  0
 17 21  1  0  0  0  0
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 17 51  1  0  0  0  0
 18 22  1  0  0  0  0
 18 52  1  0  0  0  0
 18 53  1  0  0  0  0
 19 20  2  0  0  0  0
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 21 24  1  0  0  0  0
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 22 56  1  0  0  0  0
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 25 27  2  0  0  0  0
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 26 60  1  0  0  0  0
 26 61  1  0  0  0  0
 26 62  1  0  0  0  0
 27 28  1  0  0  0  0
 28 63  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 34  1  0  0  0  0
 31 64  1  0  0  0  0
 32 35  1  0  0  0  0
 32 65  1  0  0  0  0
 34 35  2  0  0  0  0
 34 66  1  0  0  0  0
 35 67  1  0  0  0  0
M  END

$$$$
D04BES
  -OEChem-10101305022D

 32 33  0     0  0  0  0  0  0999 V2000
    2.0000   -0.2500    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    9.7942    0.2500    0.0000 N   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
    4.5981   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.5981   -1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.7500    0.0000 C   0  0  0  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
    2.8660   -1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.6603    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    0.2500    0.0000 C   0  0  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
    5.8626    0.2249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    5.9316   -1.2250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7320    0.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.3291   -2.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3913    2.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1972    2.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942    2.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2163   -0.2869    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
   11.8363    0.7869    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
  2 12  1  0  0  0  0
  2 13  2  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3 19  1  0  0  0  0
  3 20  1  0  0  0  0
  4  6  2  0  0  0  0
  4  7  1  0  0  0  0
  5 11  1  0  0  0  0
  5 21  1  0  0  0  0
  5 22  1  0  0  0  0
  6  8  1  0  0  0  0
  6 23  1  0  0  0  0
  7  9  2  0  0  0  0
  7 24  1  0  0  0  0
  8 10  2  0  0  0  0
  9 10  1  0  0  0  0
  9 25  1  0  0  0  0
 10 26  1  0  0  0  0
 11 17  3  0  0  0  0
 12 14  2  0  0  0  0
 12 17  1  0  0  0  0
 13 15  1  0  0  0  0
 13 18  1  0  0  0  0
 14 16  1  0  0  0  0
 14 27  1  0  0  0  0
 15 16  2  0  0  0  0
 15 28  1  0  0  0  0
 16 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
M  END

$$$$
D04BGT
  -OEChem-10101305032D

 33 34  0     0  0  0  0  0  0999 V2000
    7.1962    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -1.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282   -2.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    2.0000    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   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.0000    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
    7.1962    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7320   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0000   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  6  1  0  0  0  0
  1 16  2  0  0  0  0
  2  7  2  0  0  0  0
  2 16  1  0  0  0  0
  3 18  3  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4 19  1  0  0  0  0
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  6  9  2  0  0  0  0
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  8 10  1  0  0  0  0
  8 13  2  0  0  0  0
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 10 12  2  0  0  0  0
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 11 25  1  0  0  0  0
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 13 15  1  0  0  0  0
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 17 31  1  0  0  0  0
 17 32  1  0  0  0  0
 17 33  1  0  0  0  0
M  END

$$$$
D04BHL
  -OEChem-10101305022D

 61 62  0     1  0  0  0  0  0999 V2000
    2.9030   -1.8383    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0000   -7.5671    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -8.4971    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
  1 12  1  0  0  0  0
  2 16  2  0  0  0  0
  3 27  1  0  0  0  0
  3 28  1  0  0  0  0
  4 22  1  0  0  0  0
  4 32  1  0  0  0  0
  5 22  2  0  0  0  0
  6 27  2  0  0  0  0
  7 16  1  0  0  0  0
  7 18  1  0  0  0  0
  7 41  1  0  0  0  0
  8 15  2  0  0  0  0
 19  9  1  6  0  0  0
  9 27  1  0  0  0  0
  9 44  1  0  0  0  0
 10 30  1  0  0  0  0
 10 59  1  0  0  0  0
 10 60  1  0  0  0  0
 11 30  2  0  0  0  0
 11 61  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  1  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 17  1  0  0  0  0
 17 20  2  0  0  0  0
 17 21  1  0  0  0  0
 18 19  1  0  0  0  0
 18 38  1  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 42  1  0  0  0  0
 21 24  2  0  0  0  0
 21 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 30  1  0  0  0  0
 26 28  1  0  0  0  0
 26 29  1  0  0  0  0
 26 47  1  0  0  0  0
 26 48  1  0  0  0  0
 28 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
 29 52  1  0  0  0  0
 31 53  1  0  0  0  0
 31 54  1  0  0  0  0
 31 55  1  0  0  0  0
 32 56  1  0  0  0  0
 32 57  1  0  0  0  0
 32 58  1  0  0  0  0
M  END

$$$$
D04BHQ
  -OEChem-10101305032D

 34 35  0     0  0  0  0  0  0999 V2000
    5.4641    0.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    2.2500    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    6.3301    0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    1.7500    0.0000 N   0  3  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
    2.8660   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.2500    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
    4.5981   -2.2500    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
    4.5981    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.7500    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
    3.7320   -3.7500    0.0000 C   0  0  0  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
    5.4641    3.2500    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
    4.5981    3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -2.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -0.9400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951    0.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -2.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   -0.2131    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -0.4400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -1.2869    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1120   -3.7500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -4.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3520   -3.7500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951    1.9400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    3.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951    3.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    4.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  2  0  0  0  0
  2  5  1  0  0  0  0
  3  5  2  0  0  0  0
  4  6  1  0  0  0  0
  4 13  1  0  0  0  0
  4 23  1  0  0  0  0
  5 15  1  0  0  0  0
  6  7  2  0  0  0  0
  6 10  1  0  0  0  0
  7  9  1  0  0  0  0
  7 14  1  0  0  0  0
  8  9  2  0  0  0  0
  8 11  1  0  0  0  0
  8 16  1  0  0  0  0
  9 21  1  0  0  0  0
 10 11  2  0  0  0  0
 10 22  1  0  0  0  0
 11 24  1  0  0  0  0
 12 13  1  0  0  0  0
 12 15  1  0  0  0  0
 12 17  2  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 18  2  0  0  0  0
 16 28  1  0  0  0  0
 16 29  1  0  0  0  0
 16 30  1  0  0  0  0
 17 19  1  0  0  0  0
 17 31  1  0  0  0  0
 18 20  1  0  0  0  0
 18 32  1  0  0  0  0
 19 20  2  0  0  0  0
 19 33  1  0  0  0  0
 20 34  1  0  0  0  0
M  CHG  2   2  -1   5   1
M  END

$$$$
D04BHR
  -OEChem-10101305022D

 33 34  0     0  0  0  0  0  0999 V2000
    6.3776    1.7853    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.1920    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.1920    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.6920    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5686    3.1865    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.3080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.8080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.3080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.8080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.8080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.6920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.8080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.8080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -4.3080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    2.1920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5468    3.3944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0468    2.5284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9535    4.3080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6540   -0.7254    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2554   -1.4156    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9441   -1.3906    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3426   -0.7003    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951    0.5020    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -2.4980    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -2.4980    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -4.1180    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -4.1180    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -4.9280    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0611    2.0020    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6634    2.4636    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5199    4.0558    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2057    4.8744    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3871    4.5602    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 15  1  0  0  0  0
  1 17  1  0  0  0  0
  2 11  2  0  0  0  0
  3  7  1  0  0  0  0
  3 11  1  0  0  0  0
  3 23  1  0  0  0  0
  4 11  1  0  0  0  0
  4 15  1  0  0  0  0
  4 29  1  0  0  0  0
  5 15  2  0  0  0  0
  5 16  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6 19  1  0  0  0  0
  6 20  1  0  0  0  0
  7 21  1  0  0  0  0
  7 22  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 24  1  0  0  0  0
 10 13  2  0  0  0  0
 10 25  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 27  1  0  0  0  0
 14 28  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 17 30  1  0  0  0  0
 18 31  1  0  0  0  0
 18 32  1  0  0  0  0
 18 33  1  0  0  0  0
M  END

$$$$
D04BIH
  -OEChem-10101305022D

 49 51  0     0  0  0  0  0  0999 V2000
    5.4641    1.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.7500    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
    2.8660   -3.2500    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
    2.8660   -4.2500    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   -4.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -5.7500    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
    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
    2.8660   -6.2500    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
    7.1962    4.2500    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
    8.0622    2.7500    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    1.7500    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
    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    6.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9441   -3.3326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3426   -2.6423    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5200   -1.1674    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1215   -1.8577    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6540   -2.6674    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2554   -3.3577    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8101   -1.8326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2087   -1.1423    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
    1.4631   -4.4400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -4.4400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -6.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -6.0600    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
    5.7932    3.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991    3.0600    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
    8.5991    1.4400    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
    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
    7.1962    6.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  1  0  0  0  0
  1 16  1  0  0  0  0
  2 13  2  0  0  0  0
  3  7  1  0  0  0  0
  3 13  1  0  0  0  0
  3 35  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4 27  1  0  0  0  0
  4 28  1  0  0  0  0
  5  7  1  0  0  0  0
  5 29  1  0  0  0  0
  5 30  1  0  0  0  0
  6  8  1  0  0  0  0
  6 31  1  0  0  0  0
  6 32  1  0  0  0  0
  7 33  1  0  0  0  0
  7 34  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 36  1  0  0  0  0
 10 12  2  0  0  0  0
 10 37  1  0  0  0  0
 11 15  2  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
 14 17  1  0  0  0  0
 14 18  2  0  0  0  0
 14 19  1  0  0  0  0
 15 40  1  0  0  0  0
 16 18  1  0  0  0  0
 16 20  2  0  0  0  0
 17 22  2  0  0  0  0
 17 23  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 21  1  0  0  0  0
 20 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
 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
 25 48  1  0  0  0  0
 26 49  1  0  0  0  0
M  END

$$$$
D04BII
  -OEChem-10101305022D

 75 78  0     1  0  0  0  0  0999 V2000
    5.1350   -1.0179    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -0.0179    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    3.4821    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1351   -6.4821    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    1.4821    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    2.9821    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -1.0179    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    1.4821    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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 17  9  1  1  0  0  0
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 40 41  1  0  0  0  0
 40 74  1  0  0  0  0
 41 75  1  0  0  0  0
M  END

$$$$
D04BKU
  -OEChem-10101305022D

 26 25  0     0  0  0  0  0  0999 V2000
    9.4651    0.2500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -0.2500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991   -0.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.9030   -1.1160    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3312    0.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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 10 25  1  0  0  0  0
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 13 19  1  0  0  0  0
 13 20  1  0  0  0  0
 14 21  1  0  0  0  0
 14 22  1  0  0  0  0
M  END

$$$$
D04BLL
  -OEChem-10101305022D

 48 47  0     0  0  0  0  0  0999 V2000
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 19 45  1  0  0  0  0
 19 46  1  0  0  0  0
M  END

$$$$
D04BLO
  -OEChem-10191522052D

 35 36  0     0  0  0  0  0  0999 V2000
    8.9039   -3.2995    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.1720   -3.2795    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.2649    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9270   -1.2997    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    5.4641    1.7649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1 19  1  0  0  0  0
  2 19  1  0  0  0  0
  3 16  1  0  0  0  0
  3 20  1  0  0  0  0
  4 18  2  0  0  0  0
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  8  9  2  0  0  0  0
  8 12  1  0  0  0  0
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  9 14  1  0  0  0  0
 10 23  1  0  0  0  0
 10 24  1  0  0  0  0
 11 15  1  0  0  0  0
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 13 15  2  0  0  0  0
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 15 29  1  0  0  0  0
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 17 30  1  0  0  0  0
 18 19  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
M  END

$$$$
D04BNM
  -OEChem-10191523072D

 32 34  0     1  0  0  0  0  0999 V2000
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  1 19  1  0  0  0  0
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  3  9  1  0  0  0  0
  3 12  1  0  0  0  0
 10  4  1  1  0  0  0
  4 27  1  0  0  0  0
 11  5  1  1  0  0  0
  5 29  1  0  0  0  0
  6 13  1  0  0  0  0
  6 31  1  0  0  0  0
  9  7  1  6  0  0  0
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 10 11  1  0  0  0  0
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 11 12  1  0  0  0  0
 11 23  1  0  0  0  0
 12 13  1  6  0  0  0
 12 24  1  0  0  0  0
 13 25  1  0  0  0  0
 13 26  1  0  0  0  0
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 15 28  1  0  0  0  0
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 17 30  1  0  0  0  0
 18 20  1  0  0  0  0
 18 32  1  0  0  0  0
 19 20  2  0  0  0  0
M  END

$$$$
D04BOG
  -OEChem-10101305022D

116119  0     1  0  0  0  0  0999 V2000
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 36 44  1  0  0  0  0
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 39 45  1  0  0  0  0
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 39 86  1  0  0  0  0
 42 90  1  0  0  0  0
 43 51  2  0  0  0  0
 45 52  1  0  0  0  0
 45 91  1  0  0  0  0
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 46 57  1  0  0  0  0
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 47 96  1  0  0  0  0
 49 55  2  0  0  0  0
 49 56  1  0  0  0  0
 50 53  1  0  0  0  0
 50 98  1  0  0  0  0
 51 54  1  0  0  0  0
 51 99  1  0  0  0  0
 52100  1  0  0  0  0
 52101  1  0  0  0  0
 52102  1  0  0  0  0
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 58109  1  0  0  0  0
 59 60  1  0  0  0  0
 59110  1  0  0  0  0
 60111  1  0  0  0  0
M  END

$$$$
D04BON
 OpenBabel06211915332D

 24 26  0  0  0  0  0  0  0  0999 V2000
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    3.6295   -0.6807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0362   -1.5942    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2931   -2.2634    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4271   -1.7634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1295    0.1853    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5135   -2.1701    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.7045   -1.5823    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4090   -3.1646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8090   -0.5878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7227    1.0989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.0000    1.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  6  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  1  2  0  0  0  0
  5  7  1  0  0  0  0
  6 11  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  6  0  0  0
  8 10  1  0  0  0  0
  9 15  1  0  0  0  0
 10 18  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14  6  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  2  0  0  0  0
 19 10  1  6  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 24  1  6  0  0  0
 22 23  1  0  0  0  0
 23 19  1  0  0  0  0
M  END

$$$$
D04BOQ
  -OEChem-04152109552D

 76 79  0     1  0  0  0  0  0999 V2000
    7.9506   -3.6324    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 14  1  1  6  0  0  0
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 24  2  1  1  0  0  0
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 25 61  1  0  0  0  0
 25 62  1  0  0  0  0
 25 63  1  0  0  0  0
 26 27  1  0  0  0  0
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 27 28  1  0  0  0  0
 27 68  1  0  0  0  0
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 28 29  1  0  0  0  0
 28 30  1  0  0  0  0
 28 70  1  0  0  0  0
 29 71  1  0  0  0  0
 29 72  1  0  0  0  0
 30 73  1  0  0  0  0
 30 74  1  0  0  0  0
 30 75  1  0  0  0  0
M  END

$$$$
D04BPQ
  -OEChem-10191521532D

106106  0     1  0  0  0  0  0999 V2000
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M  END

$$$$
D04BSJ
  -OEChem-10191522332D

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M  END

$$$$
D04BVW
  BIDD-NUS20110812001D

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 12 13  2  0     0  0
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M  ENDM  END

$$$$
D04BVX
  -OEChem-10101305022D

214220  0     1  0  0  0  0  0999 V2000
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M  END

$$$$
D04BWH
  -OEChem-10101305022D

 19 20  0     0  0  0  0  0  0999 V2000
    4.6783   -0.8047    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.7619   -0.8660    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7619    0.8660    0.0000 O   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
    5.2619    0.0000    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
    2.8660   -1.0000    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
    2.0000   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2619    0.0000    0.0000 B   0  0  0  0  0  0  0  0  0  0  0  0
    4.8709    1.3940    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.6200    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
    1.4631   -0.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3819   -0.8660    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3819    0.8660    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
  2 12  1  0  0  0  0
  2 18  1  0  0  0  0
  3 12  1  0  0  0  0
  3 19  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  7  2  0  0  0  0
  6 13  1  0  0  0  0
  7 12  1  0  0  0  0
  8 10  1  0  0  0  0
  8 14  1  0  0  0  0
  9 11  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
M  END

$$$$
D04BXL
  -OEChem-10101305022D

 42 45  0     0  0  0  0  0  0999 V2000
    2.0000   -1.2329    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.2329    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    2.7671    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.2329    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.2329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.2671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.7329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.2329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.2671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.2671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.2671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    1.2671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.7671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2241   -0.2676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2241    1.8017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1301    0.2463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1301    1.2879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9942   -0.2571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7224   -1.2638    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8583   -0.7604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7186   -2.2637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5904   -0.7671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5826   -2.7671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4544   -1.2704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4506   -2.2704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9441   -1.8155    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3426   -1.1253    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2646    0.7420    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4675    0.7420    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7880    0.3497    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3894   -0.3406    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4675   -2.2079    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2646   -2.2079    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0611    1.5771    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2169   -0.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2169    2.4217    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6659    1.6000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1804   -2.5717    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5927   -0.1471    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5803   -3.3871    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.9926   -0.9625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.9863   -2.5825    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  9  1  0  0  0  0
  2 11  1  0  0  0  0
  3 13  2  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4  9  1  0  0  0  0
  5  7  1  0  0  0  0
  5 26  1  0  0  0  0
  5 27  1  0  0  0  0
  6  8  1  0  0  0  0
  6 28  1  0  0  0  0
  6 29  1  0  0  0  0
  7 32  1  0  0  0  0
  7 33  1  0  0  0  0
  8 30  1  0  0  0  0
  8 31  1  0  0  0  0
  9 10  2  0  0  0  0
 10 13  1  0  0  0  0
 10 34  1  0  0  0  0
 11 12  2  0  0  0  0
 11 14  1  0  0  0  0
 12 13  1  0  0  0  0
 12 15  1  0  0  0  0
 14 16  2  0  0  0  0
 14 35  1  0  0  0  0
 15 17  2  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
 17 37  1  0  0  0  0
 18 20  3  0  0  0  0
 19 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 38  1  0  0  0  0
 22 24  2  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 25  1  0  0  0  0
 24 41  1  0  0  0  0
 25 42  1  0  0  0  0
M  END

$$$$
D04BYL
  -OEChem-10101305022D

 23 23  0     1  0  0  0  0  0999 V2000
    2.0000    0.2500    0.0000 F   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
    2.0000   -1.7500    0.0000 O   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
    4.5981    2.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.2500    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.7320    0.2500    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
    2.8660   -0.2500    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
    2.8660   -1.2500    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
    3.7320   -1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8101    1.1674    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2087    1.8577    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    0.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -1.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    2.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    3.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0611    3.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -3.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  6  2  1  1  0  0  0
  2 19  1  0  0  0  0
  3 11  1  0  0  0  0
  3 22  1  0  0  0  0
  4 13  1  0  0  0  0
  4 23  1  0  0  0  0
  5  8  1  0  0  0  0
  5 20  1  0  0  0  0
  5 21  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6 14  1  0  0  0  0
  7  9  2  0  0  0  0
  7 10  1  0  0  0  0
  8 15  1  0  0  0  0
  8 16  1  0  0  0  0
  9 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 13  1  0  0  0  0
 12 18  1  0  0  0  0
M  END

$$$$
D04BYU
  -OEChem-10191522332D

 45 48  0     0  0  0  0  0  0999 V2000
    2.8660    1.2581    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3126   -1.2741    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    4.2581    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3386   -4.0931    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.7581    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0117   -2.9798    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.2581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.2581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9401   -0.6816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.7581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9249   -0.8553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    2.7581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2669   -1.7950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.7581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2973   -1.4477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.7581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6393   -2.3874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    3.2581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6241   -2.5610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3580    1.2234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5821   -0.0471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.9400   -4.5681    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 14  1  0  0  0  0
  1 43  1  0  0  0  0
  2 15  1  0  0  0  0
  2 42  1  0  0  0  0
  3 28  1  0  0  0  0
  3 44  1  0  0  0  0
  4 29  1  0  0  0  0
  4 45  1  0  0  0  0
  5 28  2  0  0  0  0
  6 29  2  0  0  0  0
  7  8  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 14  2  0  0  0  0
  9 11  1  0  0  0  0
  9 15  2  0  0  0  0
 10 12  1  0  0  0  0
 10 20  2  0  0  0  0
 11 13  1  0  0  0  0
 11 21  2  0  0  0  0
 12 18  1  0  0  0  0
 12 22  2  0  0  0  0
 13 19  1  0  0  0  0
 13 23  2  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  2  0  0  0  0
 16 28  1  0  0  0  0
 17 19  2  0  0  0  0
 17 29  1  0  0  0  0
 18 33  1  0  0  0  0
 19 32  1  0  0  0  0
 20 24  1  0  0  0  0
 20 35  1  0  0  0  0
 21 25  1  0  0  0  0
 21 34  1  0  0  0  0
 22 27  1  0  0  0  0
 22 37  1  0  0  0  0
 23 26  1  0  0  0  0
 23 36  1  0  0  0  0
 24 27  2  0  0  0  0
 24 39  1  0  0  0  0
 25 26  2  0  0  0  0
 25 38  1  0  0  0  0
 26 41  1  0  0  0  0
 27 40  1  0  0  0  0
M  END

$$$$
D04CAR
  -OEChem-10101305022D

 25 25  0     1  0  0  0  0  0999 V2000
    5.9062    1.5835    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3710   -0.0638    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -0.8644    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    0.6356    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -1.8644    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2120    1.2234    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.9030    2.1744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9030    2.1744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5939    1.2234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -0.3644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -0.8644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1630    0.9143    0.0000 B   0  0  0  0  0  0  0  0  0  0  0  0
    4.3450    0.3838    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5094    2.3033    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8382    2.7910    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9678    2.7910    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2965    2.3033    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0276    1.4755    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2839    0.6864    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3249   -0.2818    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9264   -0.9721    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4958    1.3919    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0000   -2.1744    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0739   -2.1744    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  1  0  0  0  0
  1 22  1  0  0  0  0
  2 12  1  0  0  0  0
  2 23  1  0  0  0  0
  3 10  2  0  0  0  0
  4  6  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 24  1  0  0  0  0
  5 25  1  0  0  0  0
  6  7  1  0  0  0  0
  6 12  1  0  0  0  0
  6 13  1  6  0  0  0
  7  8  1  0  0  0  0
  7 14  1  0  0  0  0
  7 15  1  0  0  0  0
  8  9  1  0  0  0  0
  8 16  1  0  0  0  0
  8 17  1  0  0  0  0
  9 18  1  0  0  0  0
  9 19  1  0  0  0  0
 10 11  1  0  0  0  0
 11 20  1  0  0  0  0
 11 21  1  0  0  0  0
M  END

$$$$
D04CCK
          11171000072D 1   1.00000     0.00000     0

 27 31  0     0  0            999 V2000
   -1.4708    1.5250    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.8583    0.7958    0.0000 N   0  0  3  0  0  0           0  0  0
   -1.9083    2.2208    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.6708    1.7250    0.0000 N   0  0  3  0  0  0           0  0  0
   -1.3750    2.8500    0.0000 N   0  0  0  0  0  0           0  0  0
   -2.6750    0.7708    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.6125    2.5458    0.0000 C   0  0  0  0  0  0           0  0  0
   -2.7250    2.1875    0.0000 C   0  0  0  0  0  0           0  0  0
   -3.1125    1.4583    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.4208    0.0958    0.0000 C   0  0  0  0  0  0           0  0  0
    0.0042    1.2708    0.0000 C   0  0  0  0  0  0           0  0  0
   -3.0625    0.0375    0.0000 O   0  0  0  0  0  0           0  0  0
    0.1167    2.9000    0.0000 C   0  0  0  0  0  0           0  0  0
    0.7417    1.6208    0.0000 C   0  0  0  0  0  0           0  0  0
    0.8000    2.4375    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.8083   -0.6375    0.0000 C   0  0  0  0  0  0           0  0  0
   -2.5833   -2.0917    0.0000 C   0  0  0  0  0  0           0  0  0
   -3.1583    2.8958    0.0000 C   0  0  0  0  0  0           0  0  0
   -3.9375    1.4333    0.0000 C   0  0  0  0  0  0           0  0  0
   -2.6333   -0.6625    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.3708   -1.3292    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.7583   -2.0625    0.0000 C   0  0  0  0  0  0           0  0  0
   -3.0208   -1.3917    0.0000 C   0  0  0  0  0  0           0  0  0
   -2.9708   -2.8167    0.0000 O   0  0  0  0  0  0           0  0  0
   -3.7958   -2.8500    0.0000 C   0  0  0  0  0  0           0  0  0
   -3.9833    2.8708    0.0000 C   0  0  0  0  0  0           0  0  0
   -4.3750    2.1333    0.0000 C   0  0  0  0  0  0           0  0  0
  2  1  1  0     0  0
  3  1  2  0     0  0
  4  1  1  0     0  0
  5  3  1  0     0  0
  6  2  1  0     0  0
  7  4  1  0     0  0
  8  3  1  0     0  0
  9  8  1  0     0  0
 10  2  1  0     0  0
 11  4  1  0     0  0
 12  6  2  0     0  0
 13  7  1  0     0  0
 14 11  2  0     0  0
 15 14  1  0     0  0
 16 10  1  0     0  0
 17 22  2  0     0  0
 18  8  2  0     0  0
 19  9  2  0     0  0
 20 16  1  0     0  0
 21 16  2  0     0  0
 22 21  1  0     0  0
 23 20  2  0     0  0
 24 17  1  0     0  0
 25 24  1  0     0  0
 26 18  1  0     0  0
 27 26  2  0     0  0
  5  7  2  0     0  0
  6  9  1  0     0  0
 13 15  2  0     0  0
 19 27  1  0     0  0
 17 23  1  0     0  0
M  END

$$$$
D04CDV
  -OEChem-10101305022D

 28 29  0     1  0  0  0  0  0999 V2000
    2.0000   -1.2500    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.2500    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    1.2500    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.2500    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.2500    0.0000 C   0  0  3  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
    4.5981    0.2500    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
    2.8660   -1.7500    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
    5.4641    1.7500    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
    2.8660   -2.7500    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
    3.7320   -3.2500    0.0000 C   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
    3.7320    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
    3.7320    0.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -3.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -3.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.3291   -0.0600    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
    3.1951    3.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    3.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  0  0  0  0
  2 12  1  0  0  0  0
  3 13  1  0  0  0  0
  4 14  1  0  0  0  0
  5  7  1  0  0  0  0
  5 25  1  0  0  0  0
  6  9  2  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 21  1  0  0  0  0
  8 11  2  0  0  0  0
  8 12  1  0  0  0  0
  9 10  1  0  0  0  0
 10 13  2  0  0  0  0
 10 14  1  0  0  0  0
 11 15  1  0  0  0  0
 12 16  2  0  0  0  0
 13 18  1  0  0  0  0
 14 19  2  0  0  0  0
 15 17  2  0  0  0  0
 15 22  1  0  0  0  0
 16 17  1  0  0  0  0
 16 23  1  0  0  0  0
 17 24  1  0  0  0  0
 18 20  2  0  0  0  0
 18 26  1  0  0  0  0
 19 20  1  0  0  0  0
 19 27  1  0  0  0  0
 20 28  1  0  0  0  0
M  END

$$$$
D04CDZ
  BIDD-NUS20110812001D

 42 45  0     1  0            999 V2000
   10.5490  -15.0131    0.0000 C   0  0  1  0  0  0           0  0  0
    9.7255  -15.0131    0.0000 C   0  0  0  0  0  0           0  0  0
   10.7304  -14.2074    0.0000 N   0  0  0  0  0  0           0  0  0
   11.5250  -14.0187    0.0000 C   0  0  0  0  0  0           0  0  0
   11.5219  -13.1964    0.0000 C   0  0  1  0  0  0           0  0  0
   10.7106  -13.0138    0.0000 N   0  0  0  0  0  0           0  0  0
   10.5210  -12.2160    0.0000 C   0  0  0  0  0  0           0  0  0
    8.7170  -13.2026    0.0000 C   0  0  0  0  0  0           0  0  0
    8.7243  -14.0244    0.0000 C   0  0  1  0  0  0           0  0  0
    9.5364  -14.2006    0.0000 N   0  0  0  0  0  0           0  0  0
    9.2119  -15.6598    0.0000 O   0  0  0  0  0  0           0  0  0
   11.0327  -11.5678    0.0000 O   0  0  0  0  0  0           0  0  0
   12.1656  -12.6794    0.0000 C   0  0  0  0  0  0           0  0  0
   12.1738  -14.5296    0.0000 O   0  0  0  0  0  0           0  0  0
   12.8865  -13.0822    0.0000 C   0  0  0  0  0  0           0  0  0
   13.5957  -12.6592    0.0000 C   0  0  0  0  0  0           0  0  0
   14.3166  -13.0619    0.0000 C   0  0  0  0  0  0           0  0  0
   15.0258  -12.6389    0.0000 C   0  0  0  0  0  0           0  0  0
   15.7467  -13.0417    0.0000 S   0  0  0  0  0  0           0  0  0
   16.4559  -12.6188    0.0000 S   0  0  0  0  0  0           0  0  0
   17.1768  -13.0216    0.0000 C   0  0  0  0  0  0           0  0  0
   17.1836  -13.8478    0.0000 N   0  0  0  0  0  0           0  0  0
   17.9037  -14.2504    0.0000 C   0  0  0  0  0  0           0  0  0
   18.6139  -13.8273    0.0000 C   0  0  0  0  0  0           0  0  0
   18.5995  -12.9975    0.0000 C   0  0  0  0  0  0           0  0  0
   17.8789  -12.5985    0.0000 C   0  0  0  0  0  0           0  0  0
    8.0838  -14.5456    0.0000 C   0  0  0  0  0  0           0  0  0
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    7.9155  -12.9827    0.0000 O   0  0  0  0  0  0           0  0  0
  9 10  1  0     0  0
 20 21  1  0     0  0
 10  2  1  0     0  0
 21 22  2  0     0  0
 22 23  1  0     0  0
  2 11  2  0     0  0
 23 24  2  0     0  0
  2  1  1  0     0  0
 24 25  1  0     0  0
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 25 26  2  0     0  0
 26 21  1  0     0  0
  1  3  1  0     0  0
  9 27  1  1     0  0
  5 13  1  1     0  0
 38 28  1  1     0  0
  3  4  1  0     0  0
  1 29  1  1     0  0
  4 14  2  0     0  0
  1 30  1  0     0  0
  4  5  1  0     0  0
 30 31  1  0     0  0
 13 15  1  0     0  0
 31 32  2  0     0  0
  5  6  1  0     0  0
 32 33  1  0     0  0
 15 16  1  0     0  0
 33 34  2  0     0  0
  6  7  1  0     0  0
 34 35  1  0     0  0
 16 17  1  0     0  0
 35 36  2  0     0  0
 36 31  1  0     0  0
 37 38  1  0     0  0
  7 38  1  0     0  0
 17 18  1  0     0  0
 37  8  1  0     0  0
 18 19  1  0     0  0
  8  9  1  0     0  0
 38 39  1  0     0  0
 39 40  1  0     0  0
 40 41  1  0     0  0
 41 37  1  0     0  0
 19 20  1  0     0  0
  8 42  2  0     0  0
M  ENDM  END

$$$$
D04CFM
  -OEChem-04152122322D

 61 65  0     1  0  0  0  0  0999 V2000
   10.4765    2.8234    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.8541    0.6855    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.6298    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1028   -1.4858    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5270   -2.0902    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9514   -0.1914    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.4491    2.4087    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.7915    3.6081    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.9300   -3.1059    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9270    0.0279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2250    0.9824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6047   -0.7075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8784    0.4663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2007    1.2016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5804   -0.4883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2861    0.3399    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.9765    1.2845    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2802    0.3407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2737    0.5440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6534   -1.1459    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5882    1.2859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7855    1.8723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.2980    0.3248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.1081   -1.3830    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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   10.5683   -0.2122    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2156   -0.2759    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8866    0.2117    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1543    1.0329    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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 29  4  1  6  0  0  0
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 10 11  1  0  0  0  0
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 18 43  1  0  0  0  0
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 21 49  1  0  0  0  0
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 23 51  1  0  0  0  0
 23 52  1  0  0  0  0
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 26 53  1  0  0  0  0
 26 54  1  0  0  0  0
 27 55  1  0  0  0  0
 27 56  1  0  0  0  0
 29 30  1  0  0  0  0
 29 57  1  0  0  0  0
 31 58  1  0  0  0  0
M  END

$$$$
D04CFP
  -OEChem-10101305032D

 38 41  0     0  0  0  0  0  0999 V2000
   10.7404    1.3577    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.4470    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    0.0530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -0.4470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942    0.0530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.4641   -1.4470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282   -0.4470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.9470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    1.0530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.0530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -1.4470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.3241    0.5530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0000   -1.4470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.0530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.9441    0.5530    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1  6  1  0  0  0  0
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  1 33  1  0  0  0  0
  2 21  2  0  0  0  0
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  5 16  1  0  0  0  0
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  7  9  1  0  0  0  0
  7 14  2  0  0  0  0
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 10 13  2  0  0  0  0
 10 26  1  0  0  0  0
 11 14  1  0  0  0  0
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 13 29  1  0  0  0  0
 14 30  1  0  0  0  0
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 16 32  1  0  0  0  0
 17 19  2  0  0  0  0
 17 20  1  0  0  0  0
 18 34  1  0  0  0  0
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 20 22  2  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

$$$$
D04CJG
  -OEChem-10101305032D

 50 49  0     0  0  0  0  0  0999 V2000
    3.4030   -0.2685    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.2315    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -0.7685    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.9030   -1.1345    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3312   -0.2685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1972    0.2315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651    0.2315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0632   -0.2685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991   -0.2685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9292    0.2315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    0.2315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7953   -0.2685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -0.2685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6613    0.2315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    0.2315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5273   -0.2685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -0.2685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3933    0.2315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9326   -0.7434    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7297   -0.7434    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5957    0.7065    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7987    0.7065    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8637    0.7065    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   11.6647   -0.7434    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.4617   -0.7434    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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 11 30  1  0  0  0  0
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 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 17  1  0  0  0  0
 15 38  1  0  0  0  0
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 16 18  1  0  0  0  0
 16 40  1  0  0  0  0
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 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
 19 48  1  0  0  0  0
M  END

$$$$
D04CLL
  -OEChem-10101305032D

 32 34  0     0  0  0  0  0  0999 V2000
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    2.8660    0.4409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9889    1.1962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.0591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  4 20  1  0  0  0  0
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  9 13  1  0  0  0  0
  9 23  1  0  0  0  0
 10 11  2  0  0  0  0
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 16 17  1  0  0  0  0
 16 31  1  0  0  0  0
 17 32  1  0  0  0  0
M  END

$$$$
D04CPW
  -OEChem-10101305022D

 49 50  0     0  0  0  0  0  0999 V2000
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 21 47  1  0  0  0  0
 22 23  1  0  0  0  0
 22 48  1  0  0  0  0
 23 49  1  0  0  0  0
M  END

$$$$
D04CQG
  -OEChem-10101305032D

 66 67  0     0  0  0  0  0  0999 V2000
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 36 63  1  0  0  0  0
 37 64  1  0  0  0  0
M  END

$$$$
D04CQM
  -OEChem-10101305022D

 64 68  0     1  0  0  0  0  0999 V2000
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 29 31  2  0  0  0  0
 29 62  1  0  0  0  0
 30 31  1  0  0  0  0
 30 63  1  0  0  0  0
 31 64  1  0  0  0  0
M  END

$$$$
D04CRB
  -OEChem-10101305032D

 24 26  0     0  0  0  0  0  0999 V2000
    4.5981    0.5000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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  1  7  1  0  0  0  0
  1  9  1  0  0  0  0
  2  6  1  0  0  0  0
  2 10  1  0  0  0  0
  2 17  1  0  0  0  0
  3  8  1  0  0  0  0
  3 10  2  0  0  0  0
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  4 13  1  0  0  0  0
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  9 12  1  0  0  0  0
 10 18  1  0  0  0  0
 11 14  1  0  0  0  0
 11 19  1  0  0  0  0
 12 15  2  0  0  0  0
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 13 21  1  0  0  0  0
 14 16  2  0  0  0  0
 14 22  1  0  0  0  0
 15 16  1  0  0  0  0
 15 23  1  0  0  0  0
 16 24  1  0  0  0  0
M  END

$$$$
D04CTN
  -OEChem-10101305022D

 34 35  0     1  0  0  0  0  0999 V2000
    2.0000   -3.2252    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1 13  1  0  0  0  0
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 10 13  1  0  0  0  0
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 13 15  2  0  0  0  0
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 14 32  1  0  0  0  0
 15 33  1  0  0  0  0
M  END

$$$$
D04CTO
  -OEChem-10101305022D

 48 52  0     0  0  0  0  0  0999 V2000
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M  END

$$$$
D04CUA
  -OEChem-10191521532D

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M  END

$$$$
D04CUL
  -OEChem-10101305022D

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M  END

$$$$
D04CUZ
  -OEChem-02061504032D

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 15  1  1  6  0  0  0
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 19  9  1  6  0  0  0
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  9 52  1  0  0  0  0
 21 10  1  6  0  0  0
 10 33  1  0  0  0  0
 10 55  1  0  0  0  0
 11 23  1  0  0  0  0
 11 28  1  0  0  0  0
 11 62  1  0  0  0  0
 29 12  1  1  0  0  0
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 12 70  1  0  0  0  0
 13 14  1  6  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 18  1  0  0  0  0
 14 38  1  0  0  0  0
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 15 39  1  0  0  0  0
 16 23  1  0  0  0  0
 16 41  1  0  0  0  0
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 17 46  1  0  0  0  0
 17 47  1  0  0  0  0
 17 48  1  0  0  0  0
 18 43  1  0  0  0  0
 18 44  1  0  0  0  0
 18 45  1  0  0  0  0
 19 20  1  0  0  0  0
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 19 49  1  0  0  0  0
 21 22  1  0  0  0  0
 21 24  1  0  0  0  0
 21 50  1  0  0  0  0
 22 26  1  0  0  0  0
 22 27  1  0  0  0  0
 22 51  1  0  0  0  0
 25 32  2  0  0  0  0
 25 54  1  0  0  0  0
 26 59  1  0  0  0  0
 26 60  1  0  0  0  0
 26 61  1  0  0  0  0
 27 56  1  0  0  0  0
 27 57  1  0  0  0  0
 27 58  1  0  0  0  0
 28 31  1  0  0  0  0
 28 63  1  0  0  0  0
 28 64  1  0  0  0  0
 29 30  1  0  0  0  0
 29 36  1  0  0  0  0
 29 65  1  0  0  0  0
 30 34  1  0  0  0  0
 30 35  1  0  0  0  0
 30 66  1  0  0  0  0
 31 32  1  0  0  0  0
 31 67  1  0  0  0  0
 31 68  1  0  0  0  0
 32 69  1  0  0  0  0
 34 74  1  0  0  0  0
 34 75  1  0  0  0  0
 34 76  1  0  0  0  0
 35 71  1  0  0  0  0
 35 72  1  0  0  0  0
 35 73  1  0  0  0  0
M  END

$$$$
D04CVC
  -OEChem-10101305032D

 19 19  0     0  0  0  0  0  0999 V2000
    3.7320    1.5000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.5000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.7320    1.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7320    1.5000    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
    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  0  0  0  0  0  0  0  0  0  0
    2.8660    0.0000    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
    3.7320   -1.5000    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
    4.5981   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291    0.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    0.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -1.3100    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
    3.1951    2.8100    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
    3.1951   -2.8100    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  5  1  0  0  0  0
  1  7  1  0  0  0  0
  2 11  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 18  1  0  0  0  0
  6 19  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  8 11  1  0  0  0  0
  8 13  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
 10 12  1  0  0  0  0
 12 15  1  0  0  0  0
M  END

$$$$
D04CZF
  -OEChem-10101305022D

 45 46  0     1  0  0  0  0  0999 V2000
    3.7320   -2.6550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.3450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    4.3450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.3450    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    4.8450    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    5.8450    0.0000 N   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
    5.4641    4.3450    0.0000 C   0  0  1  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
    4.5981    1.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    4.8450    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
    3.7320   -1.6550    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
    4.5981   -0.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.1550    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
    2.8660   -4.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -4.6550    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
    2.0000   -5.6550    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
    2.8660   -6.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6762    2.7624    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0747    3.4527    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    4.9650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3860    3.4276    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9875    2.7373    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951    1.6550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    5.4650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0611    4.5350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291    0.1550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    0.1550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -1.4650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -1.4650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6540   -2.5724    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    6.8671    6.1550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7932    6.1550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -4.3450    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -4.3450    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -5.9650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -5.9650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -6.7750    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
  2 10  2  0  0  0  0
  3 11  2  0  0  0  0
  4 10  1  0  0  0  0
  4 12  1  0  0  0  0
  4 30  1  0  0  0  0
  8  5  1  6  0  0  0
  5 31  1  0  0  0  0
  5 32  1  0  0  0  0
  6 11  1  0  0  0  0
  6 39  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 25  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 10  1  0  0  0  0
  9 28  1  0  0  0  0
  9 29  1  0  0  0  0
 12 14  2  0  0  0  0
 12 15  1  0  0  0  0
 13 16  2  0  0  0  0
 13 17  1  0  0  0  0
 14 16  1  0  0  0  0
 14 33  1  0  0  0  0
 15 17  2  0  0  0  0
 15 34  1  0  0  0  0
 16 35  1  0  0  0  0
 17 36  1  0  0  0  0
 18 19  1  0  0  0  0
 18 37  1  0  0  0  0
 18 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
 20 41  1  0  0  0  0
 21 23  2  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

$$$$
D04CZQ
  -OEChem-04152122292D

 56 58  0     0  0  0  0  0  0999 V2000
    2.0000   -0.1755    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   15.9224   -0.1513    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.0564   -1.6513    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.4583   -1.1513    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1282    0.3487    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5923    0.3487    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5301   -0.1513    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.1904   -0.1513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6904    0.7147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6904   -1.0173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3244    0.3487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0564   -0.6513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1904    1.5808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1904   -1.8834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4583   -0.1513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7263   -0.1513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8602    0.3487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7263   -1.1513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9942   -0.1513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8602   -1.6513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9942   -1.1513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2622   -0.1513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3961    0.3487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   15.1653    0.3162    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 12  1  0  0  0  0
  2 45  1  0  0  0  0
  3 12  2  0  0  0  0
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  5 19  1  0  0  0  0
  5 22  1  0  0  0  0
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  7 23  2  0  0  0  0
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 10 14  1  0  0  0  0
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 13 38  1  0  0  0  0
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 13 40  1  0  0  0  0
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 14 43  1  0  0  0  0
 16 17  2  0  0  0  0
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 17 19  1  0  0  0  0
 17 46  1  0  0  0  0
 18 20  2  0  0  0  0
 18 47  1  0  0  0  0
 19 21  2  0  0  0  0
 20 21  1  0  0  0  0
 20 48  1  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
 22 51  1  0  0  0  0
 23 26  1  0  0  0  0
 24 25  2  0  0  0  0
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 24 28  1  0  0  0  0
 25 29  1  0  0  0  0
 26 27  2  0  0  0  0
 26 52  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
M  END

$$$$
D04DBA
  -OEChem-10101305022D

 54 58  0     0  0  0  0  0  0999 V2000
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 14 35  1  0  0  0  0
 15 36  1  0  0  0  0
 16 37  1  0  0  0  0
 17 23  1  0  0  0  0
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 18 39  1  0  0  0  0
 18 40  1  0  0  0  0
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 20 44  1  0  0  0  0
 21 24  2  0  0  0  0
 21 45  1  0  0  0  0
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 22 48  1  0  0  0  0
 23 26  2  0  0  0  0
 23 49  1  0  0  0  0
 24 26  1  0  0  0  0
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 26 50  1  0  0  0  0
 27 28  3  0  0  0  0
 28 29  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
 30 51  1  0  0  0  0
 31 52  1  0  0  0  0
 32 33  1  0  0  0  0
 32 53  1  0  0  0  0
 33 54  1  0  0  0  0
M  END

$$$$
D04DBR
  -OEChem-10191521302D

 44 46  0     0  0  0  0  0  0999 V2000
    3.7094    4.6200    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.5259   11.4389    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.5259    7.9284    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7094    5.6200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7094    4.6200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7094    4.6200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2152   10.4884    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    5.2988   10.5497    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2690   10.1837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2690    9.1837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7988    9.6837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2152    8.8789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  4  1  0  0  0  0
  1  5  2  0  0  0  0
  1  6  2  0  0  0  0
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  2  7  1  0  0  0  0
  3 12  2  0  0  0  0
  4 44  1  0  0  0  0
  7  9  1  0  0  0  0
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 16 31  1  0  0  0  0
 17 32  1  0  0  0  0
 18 21  1  0  0  0  0
 18 33  1  0  0  0  0
 19 22  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
 20 28  1  0  0  0  0
 21 27  2  0  0  0  0
 21 38  1  0  0  0  0
 22 24  1  0  0  0  0
 22 34  1  0  0  0  0
 23 25  2  0  0  0  0
 23 35  1  0  0  0  0
 24 36  1  0  0  0  0
 25 37  1  0  0  0  0
 26 27  1  0  0  0  0
 26 39  1  0  0  0  0
 27 40  1  0  0  0  0
 28 41  1  0  0  0  0
 28 42  1  0  0  0  0
 28 43  1  0  0  0  0
M  CHG  2   2  -1   7   1
M  END

$$$$
D04DCW
  -OEChem-10101305032D

 32 34  0     1  0  0  0  0  0999 V2000
    2.0000    2.2500    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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    6.3301   -2.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 10 12  2  0  0  0  0
 10 23  1  0  0  0  0
 11 15  2  0  0  0  0
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 12 15  1  0  0  0  0
 12 18  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 27  1  0  0  0  0
 16 19  2  0  0  0  0
 16 28  1  0  0  0  0
 17 19  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
M  END

$$$$
D04DFX
  -OEChem-04152110362D

 32 33  0     0  0  0  0  0  0999 V2000
    4.2690   -1.8450    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    9.4651    1.1550    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
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  1 15  1  0  0  0  0
  2 18  1  0  0  0  0
  3 21  2  0  0  0  0
  4 17  1  0  0  0  0
  4 30  1  0  0  0  0
  5  6  1  0  0  0  0
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  6 21  1  0  0  0  0
  6 29  1  0  0  0  0
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  7 31  1  0  0  0  0
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 11 22  1  0  0  0  0
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 13 18  1  0  0  0  0
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 16 17  1  0  0  0  0
 16 26  1  0  0  0  0
 18 20  2  0  0  0  0
 19 20  1  0  0  0  0
 19 27  1  0  0  0  0
 20 28  1  0  0  0  0
M  END

$$$$
D04DHB
  -OEChem-10111523452D

 21 22  0     0  0  0  0  0  0999 V2000
    6.8834   -2.0173    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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  1 12  1  0  0  0  0
  2 14  1  0  0  0  0
  3  9  2  0  0  0  0
  4 16  1  0  0  0  0
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  7  8  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
  9 13  1  0  0  0  0
 10 13  2  0  0  0  0
 10 16  1  0  0  0  0
 11 14  1  0  0  0  0
 11 18  1  0  0  0  0
 12 15  1  0  0  0  0
 13 19  1  0  0  0  0
 14 15  2  0  0  0  0
 15 20  1  0  0  0  0
M  END

$$$$
D04DHD
  -OEChem-04152109302D

 38 39  0     1  0  0  0  0  0999 V2000
    6.0010   -1.1900    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   11.2774    0.6147    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2774   -0.9947    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    1.8100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    0.8100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 15  7  1  6  0  0  0
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  8 22  1  0  0  0  0
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 10 13  2  0  0  0  0
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 11 25  1  0  0  0  0
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 13 16  1  0  0  0  0
 13 27  1  0  0  0  0
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 17 18  1  0  0  0  0
 18 31  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 35  1  0  0  0  0
 20 36  1  0  0  0  0
M  END

$$$$
D04DJM
  -OEChem-10101305032D

 49 50  0     0  0  0  0  0  0999 V2000
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    2.8660    0.5922    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.3100    1.5553    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1 43  1  0  0  0  0
  2 17  2  0  0  0  0
  3 20  2  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4 24  1  0  0  0  0
  4 25  1  0  0  0  0
  5  7  1  0  0  0  0
  5 26  1  0  0  0  0
  5 27  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 28  1  0  0  0  0
  7 29  1  0  0  0  0
  8  9  1  0  0  0  0
  8 11  2  0  0  0  0
  9 10  2  0  0  0  0
  9 17  1  0  0  0  0
 10 16  1  0  0  0  0
 10 18  1  0  0  0  0
 11 19  1  0  0  0  0
 11 21  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 15  1  0  0  0  0
 14 16  2  0  0  0  0
 14 20  1  0  0  0  0
 15 22  1  0  0  0  0
 15 23  1  0  0  0  0
 15 36  1  0  0  0  0
 16 37  1  0  0  0  0
 17 20  1  0  0  0  0
 18 19  2  0  0  0  0
 18 38  1  0  0  0  0
 19 39  1  0  0  0  0
 21 40  1  0  0  0  0
 21 41  1  0  0  0  0
 21 42  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
 23 47  1  0  0  0  0
 23 48  1  0  0  0  0
 23 49  1  0  0  0  0
M  END

$$$$
D04DKM
  -OEChem-10191521172D

 23 23  0     1  0  0  0  0  0999 V2000
    5.6646    1.7247    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4013   -2.2412    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2634    2.7428    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.2231    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4945    1.8292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0823    1.0202    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.2733    0.4324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5823   -0.5186    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8913    0.4324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5823   -0.5186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6701    1.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9945   -1.3276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9633    0.9694    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7069    0.1803    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8638   -1.0710    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4577    0.1803    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2013    0.9694    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5175   -1.1352    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1888   -0.6475    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8779    1.7644    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7467    2.3956    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0290    2.2263    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0368   -2.7428    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  0  0  0  0
  1 22  1  0  0  0  0
  2 12  1  0  0  0  0
  2 23  1  0  0  0  0
  3 11  2  0  0  0  0
  4 12  2  0  0  0  0
  6  5  1  1  0  0  0
  5 20  1  0  0  0  0
  5 21  1  0  0  0  0
  6  7  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 13  1  0  0  0  0
  7 14  1  0  0  0  0
  8 10  1  0  0  0  0
  8 12  1  1  0  0  0
  8 15  1  0  0  0  0
  9 10  1  0  0  0  0
  9 16  1  0  0  0  0
  9 17  1  0  0  0  0
 10 18  1  0  0  0  0
 10 19  1  0  0  0  0
M  END

$$$$
D04DKX
  -OEChem-10101305032D

 38 39  0     0  0  0  0  0  0999 V2000
    3.7320   -0.5000    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    0.5000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.5000    0.0000 S   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
    2.8660   -2.0000    0.0000 N   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
    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
    2.0000   -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
    3.7320    2.5000    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
    2.0000   -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
    2.8660   -1.0000    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
    2.4675   -4.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.9966    4.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1996    4.4750    0.0000 H   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
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    6.0747    3.3923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    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
    4.3426   -2.6077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9441   -1.9174    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 17  1  0  0  0  0
  2 18  1  0  0  0  0
  3 18  2  0  0  0  0
  4 17  2  0  0  0  0
  5 13  1  0  0  0  0
  5 14  1  0  0  0  0
  5 18  1  0  0  0  0
  6 15  1  0  0  0  0
  6 16  1  0  0  0  0
  6 17  1  0  0  0  0
  7  9  1  0  0  0  0
  7 10  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 12  1  0  0  0  0
  8 21  1  0  0  0  0
  8 22  1  0  0  0  0
  9 16  1  0  0  0  0
  9 23  1  0  0  0  0
  9 24  1  0  0  0  0
 10 15  1  0  0  0  0
 10 25  1  0  0  0  0
 10 26  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 13  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 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
M  END

$$$$
D04DLM
  -OEChem-10121500292D

 24 24  0     0  0  0  0  0  0999 V2000
    2.0000    1.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    2.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.5000    0.0000 N   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
    2.8660    0.5000    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   -1.0000    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
    2.0000   -2.0000    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
    3.7320    2.0000    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
    1.4631   -0.6900    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
    4.2690    0.6900    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
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    3.4030   -3.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    3.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  2  0  0  0  0
  2 14  1  0  0  0  0
  2 24  1  0  0  0  0
  3 14  2  0  0  0  0
  4  7  1  0  0  0  0
  4 13  1  0  0  0  0
  4 17  1  0  0  0  0
  5 10  1  0  0  0  0
  5 22  1  0  0  0  0
  5 23  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  2  0  0  0  0
  6  9  1  0  0  0  0
  8 11  1  0  0  0  0
  8 15  1  0  0  0  0
  9 12  2  0  0  0  0
  9 16  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 11 18  1  0  0  0  0
 12 19  1  0  0  0  0
 13 14  1  0  0  0  0
 13 20  1  0  0  0  0
 13 21  1  0  0  0  0
M  END

$$$$
D04DLR
  -OEChem-10111523222D

 53 55  0     0  0  0  0  0  0999 V2000
    7.1962   -5.0950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.5950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    8.0622    5.4050    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    5.4641   -4.0950    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
    6.3301   -3.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -2.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -4.0950    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
    2.0000   -4.0950    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
    8.0622   -3.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -2.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -1.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    0.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    2.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    0.9050    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
    8.9282    1.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    1.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    3.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    3.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.9282    4.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.9966   -3.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    3.3335   -4.5700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    5.7932   -2.2850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -3.5581    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4860   -2.5950    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.9750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2460   -2.5950    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -4.4050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   -4.6319    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991   -3.9050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991   -2.2850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991   -0.9050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331   -5.4050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651    0.5950    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6592    0.5950    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651    2.2150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6592    2.2150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651    3.5950    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6592    3.5950    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651    5.2150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6592    5.2150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  0  0  0  0
  1 45  1  0  0  0  0
  2 17  2  0  0  0  0
  3  8  1  0  0  0  0
  3 13  1  0  0  0  0
  3 14  1  0  0  0  0
  4 17  1  0  0  0  0
  4 18  1  0  0  0  0
  4 44  1  0  0  0  0
  5 27  2  0  0  0  0
  5 28  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6 29  1  0  0  0  0
  6 30  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 33  1  0  0  0  0
  8 34  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  2  0  0  0  0
 10 12  2  0  0  0  0
 10 35  1  0  0  0  0
 11 15  1  0  0  0  0
 12 16  1  0  0  0  0
 12 17  1  0  0  0  0
 13 36  1  0  0  0  0
 13 40  1  0  0  0  0
 13 41  1  0  0  0  0
 14 37  1  0  0  0  0
 14 38  1  0  0  0  0
 14 39  1  0  0  0  0
 15 16  2  0  0  0  0
 15 42  1  0  0  0  0
 16 43  1  0  0  0  0
 18 20  2  0  0  0  0
 18 21  1  0  0  0  0
 19 22  2  0  0  0  0
 19 23  1  0  0  0  0
 19 24  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 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 50  1  0  0  0  0
 26 28  2  0  0  0  0
 26 51  1  0  0  0  0
 27 52  1  0  0  0  0
 28 53  1  0  0  0  0
M  END

$$$$
D04DOL
  -OEChem-10101305022D

 49 50  0     0  0  0  0  0  0999 V2000
    5.1350    0.9050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -5.5950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -6.5950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    0.9050    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -5.5950    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -2.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -2.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -1.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -3.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -0.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -4.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    0.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -5.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    1.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    3.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    2.4050    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
    7.7331    3.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    3.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    4.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    5.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    5.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    6.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    6.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    6.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3471   -2.6776    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7456   -1.9873    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0569   -2.0124    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6584   -2.7027    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9230   -0.5124    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5244   -1.2027    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4810   -4.1776    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8796   -3.4873    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2131   -1.1776    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6116   -0.4873    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1909   -3.5124    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7924   -4.2027    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4040    0.5950    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2700    2.0950    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    2.0950    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2700    3.7150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    3.7150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -5.2850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    5.0950    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2700    5.0950    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    6.7150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2700    6.7150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    7.5250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -6.9050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  2  0  0  0  0
  2 13  2  0  0  0  0
  3  5  1  0  0  0  0
  3 49  1  0  0  0  0
  4 12  1  0  0  0  0
  4 14  1  0  0  0  0
  4 38  1  0  0  0  0
  5 13  1  0  0  0  0
  5 43  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6 26  1  0  0  0  0
  6 27  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 10  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 12  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
 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
 16 39  1  0  0  0  0
 17 19  2  0  0  0  0
 17 40  1  0  0  0  0
 18 41  1  0  0  0  0
 19 42  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 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
 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

$$$$
D04DOV
  -OEChem-10191522462D

 13 12  0     0  0  0  0  0  0999 V2000
    2.8660    0.2500    0.0000 N   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
    2.0000    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0420    0.2131    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    1.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4220    1.2869    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100    1.2869    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    1.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900    0.2131    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2460   -0.7500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4860   -0.7500    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
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  2  7  1  0  0  0  0
  3  8  1  0  0  0  0
  3  9  1  0  0  0  0
  3 10  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
M  END

$$$$
D04DQF
  -OEChem-10101305022D

 39 41  0     0  0  0  0  0  0999 V2000
   10.6603   -1.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    2.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.7500    0.0000 O   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
    9.7942   -0.2500    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
   10.6603   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    0.7500    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
    5.4641   -0.7500    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
    6.3301    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
    5.4641   -1.7500    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
    4.5981   -2.2500    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
    2.8660   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1928    0.2249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3957    0.2249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3176   -1.6423    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7162   -2.3326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2708   -0.8577    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8723   -0.1674    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3957   -2.7250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1928   -2.7250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991    1.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7932    1.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.3700    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
    4.5981   -2.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951   -2.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -0.2131    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -1.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   -1.2869    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 12  1  0  0  0  0
  3 14  2  0  0  0  0
  4 21  2  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 10  1  0  0  0  0
  6  8  1  0  0  0  0
  6 23  1  0  0  0  0
  6 24  1  0  0  0  0
  7  9  1  0  0  0  0
  7 25  1  0  0  0  0
  7 26  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  2  0  0  0  0
 11 14  1  0  0  0  0
 11 31  1  0  0  0  0
 12 13  1  0  0  0  0
 12 15  2  0  0  0  0
 13 16  2  0  0  0  0
 13 17  1  0  0  0  0
 14 15  1  0  0  0  0
 15 32  1  0  0  0  0
 16 18  1  0  0  0  0
 16 33  1  0  0  0  0
 17 19  2  0  0  0  0
 17 34  1  0  0  0  0
 18 20  2  0  0  0  0
 18 21  1  0  0  0  0
 19 20  1  0  0  0  0
 19 35  1  0  0  0  0
 20 36  1  0  0  0  0
 21 22  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
M  END

$$$$
D04DQJ
  -OEChem-10101305032D

 38 39  0     0  0  0  0  0  0999 V2000
    7.1962    0.4050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -3.5950    0.0000 O   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
    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
    4.5981   -1.0950    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
    4.5981    0.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -1.0950    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   -2.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    2.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -2.0950    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
    2.8660   -2.0950    0.0000 C   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
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    2.8660    3.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 20 37  1  0  0  0  0
 20 38  1  0  0  0  0
M  END

$$$$
D04DRM
  -OEChem-10101305022D

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M  END

$$$$
D04DTE
  -OEChem-10191522142D

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 38 73  1  0  0  0  0
M  END

$$$$
D04DVT
  -OEChem-10191522512D

 50 52  0     0  0  0  0  0  0999 V2000
    3.7320   -0.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    2.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 25 47  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
M  END

$$$$
D04DWJ
  -OEChem-10121500402D

  1  0  0     0  0  0  0  0  0999 V2000
    2.0000    0.0000    0.0000 Zn  0  2  0  0  0  0  0  0  0  0  0  0
M  CHG  1   1   2
M  END

$$$$
D04DXC
  -OEChem-10101305022D

110112  0     1  0  0  0  0  0999 V2000
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 23 24  1  0  0  0  0
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 25 26  1  0  0  0  0
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 25 71  1  0  0  0  0
 27 28  1  0  0  0  0
 27 29  1  1  0  0  0
 27 72  1  0  0  0  0
 28 34  1  0  0  0  0
 28 75  1  0  0  0  0
 28 76  1  0  0  0  0
 29 77  1  0  0  0  0
 29 78  1  0  0  0  0
 29 79  1  0  0  0  0
 30 32  1  0  0  0  0
 30 33  1  0  0  0  0
 30 80  1  0  0  0  0
 31 35  1  0  0  0  0
 31 38  1  0  0  0  0
 31 81  1  0  0  0  0
 33 36  1  0  0  0  0
 33 37  1  0  0  0  0
 33 82  1  0  0  0  0
 34 83  1  0  0  0  0
 34 84  1  0  0  0  0
 34 85  1  0  0  0  0
 35 87  1  0  0  0  0
 35 88  1  0  0  0  0
 36 42  2  0  0  0  0
 36 44  1  0  0  0  0
 37 41  2  0  0  0  0
 37 43  1  0  0  0  0
 39 40  1  0  0  0  0
 40 45  1  0  0  0  0
 40 89  1  0  0  0  0
 41 47  1  0  0  0  0
 41 91  1  0  0  0  0
 42 46  1  0  0  0  0
 42 90  1  0  0  0  0
 43 49  2  0  0  0  0
 43 93  1  0  0  0  0
 44 48  2  0  0  0  0
 44 92  1  0  0  0  0
 45 50  1  0  0  0  0
 45 94  1  0  0  0  0
 45 95  1  0  0  0  0
 46 51  2  0  0  0  0
 46 98  1  0  0  0  0
 47 52  2  0  0  0  0
 47 99  1  0  0  0  0
 48 51  1  0  0  0  0
 48100  1  0  0  0  0
 49 52  1  0  0  0  0
 49101  1  0  0  0  0
 50 54  1  0  0  0  0
 50102  1  0  0  0  0
 50103  1  0  0  0  0
 51105  1  0  0  0  0
 52106  1  0  0  0  0
 53 55  1  0  0  0  0
 55107  1  0  0  0  0
 55108  1  0  0  0  0
 55109  1  0  0  0  0
M  END

$$$$
D04DYA
          01091000062D 1   1.00000     0.00000     0

 28 30  0     1  0            999 V2000
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    3.8295   -1.2228    0.0000 C   0  0  0  0  0  0           0  0  0
    5.1665    1.0884    0.0000 C   0  0  0  0  0  0           0  0  0
    2.4925    1.0884    0.0000 O   0  0  0  0  0  0           0  0  0
    5.1665   -1.9954    0.0000 C   0  0  0  0  0  0           0  0  0
    2.6807   -2.2574    0.0000 C   0  0  0  0  0  0           0  0  0
    5.1665    2.6336    0.0000 C   0  0  0  0  0  0           0  0  0
    6.5034    0.3158    0.0000 C   0  0  0  0  0  0           0  0  0
    2.4925    2.6336    0.0000 C   0  0  2  0  0  0           0  0  0
    6.5034   -1.2228    0.0000 C   0  0  0  0  0  0           0  0  0
    4.8440   -3.5003    0.0000 C   0  0  0  0  0  0           0  0  0
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    3.8295    3.3995    0.0000 C   0  0  1  0  0  0           0  0  0
    7.8337    1.0884    0.0000 O   0  0  0  0  0  0           0  0  0
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    1.7199    3.9639    0.0000 C   0  0  0  0  0  0           0  0  0
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    3.8295    4.9448    0.0000 O   0  0  0  0  0  0           0  0  0
    0.4367    1.1757    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.0749    1.1757    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.5923   -0.3158    0.0000 C   0  0  0  0  0  0           0  0  0
   -3.1509   -0.3561    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.6853   -1.5587    0.0000 C   0  0  0  0  0  0           0  0  0
   -3.6280   -1.8140    0.0000 C   0  0  0  0  0  0           0  0  0
   -5.1598   -1.7804    0.0000 C   0  0  0  0  0  0           0  0  0
   -5.7040   -3.2248    0.0000 C   0  0  0  0  0  0           0  0  0
   -7.2425   -3.1980    0.0000 C   0  0  0  0  0  0           0  0  0
   -4.8373   -4.5014    0.0000 C   0  0  0  0  0  0           0  0  0
  1  2  1  0     0  0
  1  3  2  0     0  0
  1  4  1  0     0  0
  2  5  2  0     0  0
  2  6  1  0     0  0
  3  7  1  0     0  0
  3  8  1  0     0  0
  4  9  1  0     0  0
  5 10  1  0     0  0
  5 11  1  0     0  0
  6 12  1  0     0  0
  7 13  1  0     0  0
  8 14  1  0     0  0
  9 15  1  0     0  0
  9 16  1  6     0  0
 11 17  2  0     0  0
 13 18  1  1     0  0
 15 19  1  0     0  0
 19 20  1  0     0  0
 20 21  2  0     0  0
 21 22  1  0     0  0
 21 23  1  0     0  0
 22 24  1  0     0  0
 24 25  1  0     0  0
 25 26  2  0     0  0
 26 27  1  0     0  0
 26 28  1  0     0  0
  8 10  2  0     0  0
  9 13  1  0     0  0
 11 12  1  0     0  0
M  END

$$$$
D04DYM
  -OEChem-10191522122D

 66 69  0     1  0  0  0  0  0999 V2000
   10.6603    1.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282   -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
    4.5981   -2.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   11.5263    3.5000    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
   12.3923    5.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -2.0000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.1962   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -3.5000    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
    8.0622    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.4641   -4.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.2583    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.1244    4.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.2583    5.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1244    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6592   -1.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    6.5856   -1.1077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7932   -2.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282   -1.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5252    0.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3312   -0.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    1.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331   -3.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7383    1.9174    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.1369    2.6077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4482    2.5826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0497    1.8923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    6.3301   -6.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9703    4.5369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1233    4.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3503    3.4631    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   13.2583    2.8800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    1.4631   -5.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.2583    6.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.6613    5.3100    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 14  1  0  0  0  0
  2 57  1  0  0  0  0
  3 14  2  0  0  0  0
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  8  5  1  1  0  0  0
  5 11  1  0  0  0  0
  5 41  1  0  0  0  0
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  6 27  1  0  0  0  0
  6 28  1  0  0  0  0
  7 27  1  0  0  0  0
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  8  9  1  0  0  0  0
  8 14  1  0  0  0  0
  8 38  1  0  0  0  0
  9 10  1  0  0  0  0
  9 39  1  0  0  0  0
  9 40  1  0  0  0  0
 10 12  2  0  0  0  0
 10 13  1  0  0  0  0
 11 15  1  0  0  0  0
 11 19  2  0  0  0  0
 12 17  1  0  0  0  0
 12 42  1  0  0  0  0
 13 18  2  0  0  0  0
 13 43  1  0  0  0  0
 15 22  2  0  0  0  0
 15 23  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 17 44  1  0  0  0  0
 18 45  1  0  0  0  0
 19 24  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
 20 48  1  0  0  0  0
 21 49  1  0  0  0  0
 21 50  1  0  0  0  0
 22 25  1  0  0  0  0
 22 51  1  0  0  0  0
 23 26  1  0  0  0  0
 24 25  2  0  0  0  0
 24 52  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  2  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 32  1  0  0  0  0
 29 58  1  0  0  0  0
 30 33  2  0  0  0  0
 30 59  1  0  0  0  0
 31 34  1  0  0  0  0
 31 60  1  0  0  0  0
 32 35  2  0  0  0  0
 32 61  1  0  0  0  0
 33 35  1  0  0  0  0
 33 62  1  0  0  0  0
 34 37  2  0  0  0  0
 34 63  1  0  0  0  0
 35 64  1  0  0  0  0
 36 37  1  0  0  0  0
 36 65  1  0  0  0  0
 37 66  1  0  0  0  0
M  END

$$$$
D04DYO
  -OEChem-10101305032D

 34 36  0     0  0  0  0  0  0999 V2000
    6.3301    0.4254    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.5746    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0785   -2.6092    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -2.5746    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8602    0.4495    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.9254    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -1.0746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.6118   -2.9254    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3984    0.1416    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6200    2.9254    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    1.3800    2.9254    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 11  1  0  0  0  0
  2 29  1  0  0  0  0
  3 13  1  0  0  0  0
  3 30  1  0  0  0  0
  4 12  2  0  0  0  0
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  5 31  1  0  0  0  0
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  6 22  1  0  0  0  0
  7  8  1  0  0  0  0
  7 12  1  0  0  0  0
  7 13  2  0  0  0  0
  8 14  2  0  0  0  0
  9 10  1  0  0  0  0
  9 11  2  0  0  0  0
 10 17  2  0  0  0  0
 10 18  1  0  0  0  0
 11 12  1  0  0  0  0
 13 16  1  0  0  0  0
 14 15  1  0  0  0  0
 14 23  1  0  0  0  0
 15 16  2  0  0  0  0
 16 24  1  0  0  0  0
 17 19  1  0  0  0  0
 17 25  1  0  0  0  0
 18 20  2  0  0  0  0
 18 26  1  0  0  0  0
 19 21  2  0  0  0  0
 19 27  1  0  0  0  0
 20 21  1  0  0  0  0
 20 28  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

$$$$
D04DZP
  -OEChem-10101305022D

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 51119  1  0  0  0  0
 51120  1  0  0  0  0
 52115  1  0  0  0  0
 52116  1  0  0  0  0
 52117  1  0  0  0  0
 53 59  1  0  0  0  0
 53121  1  0  0  0  0
 53122  1  0  0  0  0
 54 61  1  0  0  0  0
 54123  1  0  0  0  0
 54124  1  0  0  0  0
 55 62  2  0  0  0  0
 55 63  1  0  0  0  0
 57126  1  0  0  0  0
 57127  1  0  0  0  0
 57128  1  0  0  0  0
 59 67  2  0  0  0  0
 60130  1  0  0  0  0
 61131  1  0  0  0  0
 61132  1  0  0  0  0
 61133  1  0  0  0  0
 62 69  1  0  0  0  0
 62135  1  0  0  0  0
 63 70  2  0  0  0  0
 63136  1  0  0  0  0
 64 68  1  0  0  0  0
 64 76  1  0  0  0  0
 64137  1  0  0  0  0
 65 71  1  0  0  0  0
 65 72  1  0  0  0  0
 65 73  1  0  0  0  0
 66138  1  0  0  0  0
 67140  1  0  0  0  0
 68 77  1  0  0  0  0
 68141  1  0  0  0  0
 68142  1  0  0  0  0
 69 74  2  0  0  0  0
 69143  1  0  0  0  0
 70 74  1  0  0  0  0
 70144  1  0  0  0  0
 71145  1  0  0  0  0
 71146  1  0  0  0  0
 71150  1  0  0  0  0
 72147  1  0  0  0  0
 72148  1  0  0  0  0
 72149  1  0  0  0  0
 73151  1  0  0  0  0
 73152  1  0  0  0  0
 73153  1  0  0  0  0
 74154  1  0  0  0  0
 75155  1  0  0  0  0
 77 78  2  0  0  0  0
 78157  1  0  0  0  0
 79159  1  0  0  0  0
M  END

$$$$
D04DZS
  -OEChem-10191521582D

 56 55  0     1  0  0  0  0  0999 V2000
    8.9282    5.0670    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    5.0670    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942    5.5670    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    9.4282    4.2010    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4282    5.9330    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    5.5670    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    6.6962    4.2010    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    7.6962    5.9330    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    3.5670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    4.5670    0.0000 C   0  0  3  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
    7.1962    2.0670    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
    6.3301    0.5670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.0670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.9330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.4330    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
    7.1962    0.0670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.9330    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
    5.4641   -2.9330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -4.4330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -5.4330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -5.9330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -5.9330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2742    2.9844    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6728    3.6746    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    5.1870    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9841    3.6496    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5856    2.9593    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4082    1.4844    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8067    2.1747    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7932    1.8770    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2520    0.6496    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8535   -0.0407    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6762   -1.5156    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0747   -0.8254    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0611   -1.1230    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5200   -2.3504    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1215   -3.0407    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8862   -0.4699    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331   -0.2430    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5062    0.6039    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9441   -4.5156    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3426   -3.8254    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1541   -3.4700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -3.2430    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7741   -2.3961    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -4.1230    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4220   -6.4700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -6.2430    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0420   -5.3961    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -5.3961    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -6.2430    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   -6.4700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  1  5  2  0  0  0  0
  1 10  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
  2 10  1  0  0  0  0
  9 10  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 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 13  1  0  0  0  0
 12 32  1  0  0  0  0
 12 33  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
 14 19  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 17  1  0  0  0  0
 16 37  1  0  0  0  0
 16 38  1  0  0  0  0
 17 18  2  0  0  0  0
 17 39  1  0  0  0  0
 18 20  1  0  0  0  0
 18 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 21  1  0  0  0  0
 20 40  1  0  0  0  0
 20 41  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
 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 50  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  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 51  1  0  0  0  0
 26 52  1  0  0  0  0
 26 53  1  0  0  0  0
M  CHG  3   3  -1   6  -1   7  -1
M  END

$$$$
D04DZZ
  -OEChem-10101305022D

 50 50  0     0  0  0  0  0  0999 V2000
   12.3923    2.0670    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942    0.5670    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8923    2.9330    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8923    1.2010    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.3923   -2.9330    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   10.6603   -2.9330    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5263    1.5670    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.5263   -2.4330    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    5.4641    0.0670    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
    4.5981    0.5670    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
    3.7320    0.0670    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
    2.8660    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
    2.0000    0.0670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603    0.0670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5263    0.5670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603   -0.9330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3923    0.0670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5263   -1.4330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3923   -0.9330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2583    2.5670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0656   -0.4080    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8626   -0.4080    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7287    1.0419    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9316    1.0419    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9966    1.0419    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1996    1.0419    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7976   -0.4080    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5947   -0.4080    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3335   -0.4080    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1306   -0.4080    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4607    1.0419    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6636    1.0419    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2646    1.0419    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4675    1.0419    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5297   -0.4080    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3267   -0.4080    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900    0.6039    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -0.2430    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   -0.4699    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1233   -1.2430    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9893    1.8770    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.9292    0.3770    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.9292   -1.2430    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.5683    2.0300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.7953    2.8770    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.9483    3.1039    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 24  1  0  0  0  0
  2 16  1  0  0  0  0
  2 18  1  0  0  0  0
  5  8  1  0  0  0  0
  6  8  2  0  0  0  0
  7 19  1  0  0  0  0
  7 45  1  0  0  0  0
  8 22  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
  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 13  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 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 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
 17 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
 20 22  2  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
 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
M  CHG  2   5  -1   8   1
M  END

$$$$
D04EAY
  -OEChem-04152109442D

 26 28  0     0  0  0  0  0  0999 V2000
    6.0812   -2.1329    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0382   -0.1110    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -2.3282    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6648   -1.3282    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -0.8281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0812   -0.5234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3919    0.4271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -1.8282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -0.3281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -2.3282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3704    0.6333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7240    1.1714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -0.8281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -1.8282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6811    1.5838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0347    2.1219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0132    2.3282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.2919    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -2.9482    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1174    1.0436    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.5181    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2877    1.7117    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6207    2.5834    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2058    2.9175    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6449    0.0169    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.0182    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 11  1  0  0  0  0
  2 25  1  0  0  0  0
  3 14  1  0  0  0  0
  3 26  1  0  0  0  0
  4  6  2  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  7  1  0  0  0  0
  7 11  1  0  0  0  0
  7 12  2  0  0  0  0
  8 10  1  0  0  0  0
  9 13  2  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 15  2  0  0  0  0
 12 16  1  0  0  0  0
 12 20  1  0  0  0  0
 13 14  1  0  0  0  0
 13 21  1  0  0  0  0
 15 17  1  0  0  0  0
 15 22  1  0  0  0  0
 16 17  2  0  0  0  0
 16 23  1  0  0  0  0
 17 24  1  0  0  0  0
M  END

$$$$
D04ECT
  -OEChem-10101305022D

 36 39  0     0  0  0  0  0  0999 V2000
    6.3913    2.5346    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.4260   -2.5346    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1962   -2.5240    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4144    0.5347    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5427    1.0246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    1.0447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4260   -0.4652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5311    2.0246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2631    2.0446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321   -0.9999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321   -1.9999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.9061   -0.4652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0000   -2.0207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.6660    0.1201    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.6660   -3.1199    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.9132   -3.1545    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4643   -0.6670    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4643   -2.3328    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 11  1  0  0  0  0
  2 17  1  0  0  0  0
  3 17  2  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4  7  1  0  0  0  0
  5  8  1  0  0  0  0
  5 22  1  0  0  0  0
  5 23  1  0  0  0  0
  6  9  1  0  0  0  0
  6 24  1  0  0  0  0
  6 25  1  0  0  0  0
  7 10  1  0  0  0  0
  7 13  2  0  0  0  0
  8 26  1  0  0  0  0
  8 27  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  2  0  0  0  0
 11 16  2  0  0  0  0
 12 14  1  0  0  0  0
 12 30  1  0  0  0  0
 13 17  1  0  0  0  0
 13 31  1  0  0  0  0
 14 15  1  0  0  0  0
 14 18  2  0  0  0  0
 15 16  1  0  0  0  0
 15 19  2  0  0  0  0
 16 32  1  0  0  0  0
 18 20  1  0  0  0  0
 18 33  1  0  0  0  0
 19 21  1  0  0  0  0
 19 34  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
M  END

$$$$
D04ECZ
  -OEChem-10101305022D

 63 63  0     1  0  0  0  0  0999 V2000
    2.6200   -3.1165    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9860   -0.0185    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9860   -1.7505    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9860   -1.7505    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.1200   -2.2505    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.1200   -1.2505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4860   -0.8845    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4860   -0.8845    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9860   -0.0185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9860   -0.0185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4860    0.8476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4860    0.8476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9860    1.7136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4860    0.8476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4860    0.8476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9860   -0.0185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9860    1.7136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9860    1.7136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9860   -0.0185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9860    1.7136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4860    2.5796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4860    2.5796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4860   -0.8845    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.4860   -0.8845    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.2960   -2.2875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.1165    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3784   -1.4951    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0686   -1.0966    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0937    0.5921    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4034    0.1936    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8784   -0.6290    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5686   -0.2305    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5937    1.4581    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9034    1.0596    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3784    0.2370    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0686    0.6355    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0937    2.3242    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4034    1.9256    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.0686    1.0596    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.3784    1.4581    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.9034    0.6355    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.5937    0.2370    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.4034   -0.2305    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.0937   -0.6290    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.5686    1.9256    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.8784    2.3242    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8784    1.1030    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5686    1.5015    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.5686    0.1936    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.8784    0.5921    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.4034    1.5015    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.0937    1.1030    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1760    3.1165    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   17.5937   -1.4951    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   18.4860   -0.2645    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  5  1  1  6  0  0  0
  1 30  1  0  0  0  0
  2  7  2  0  0  0  0
  4  3  1  1  0  0  0
  3  7  1  0  0  0  0
  3 29  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4 25  1  0  0  0  0
  5  6  1  0  0  0  0
  5 26  1  0  0  0  0
  6 27  1  0  0  0  0
  6 28  1  0  0  0  0
  7  8  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 10  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 12  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 17  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
 14 16  1  0  0  0  0
 14 43  1  0  0  0  0
 14 44  1  0  0  0  0
 15 18  1  0  0  0  0
 15 45  1  0  0  0  0
 15 46  1  0  0  0  0
 16 19  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 51  1  0  0  0  0
 17 52  1  0  0  0  0
 18 20  1  0  0  0  0
 18 49  1  0  0  0  0
 18 50  1  0  0  0  0
 19 23  1  0  0  0  0
 19 53  1  0  0  0  0
 19 54  1  0  0  0  0
 20 22  1  0  0  0  0
 20 55  1  0  0  0  0
 20 56  1  0  0  0  0
 21 22  2  0  0  0  0
 21 57  1  0  0  0  0
 22 58  1  0  0  0  0
 23 24  1  0  0  0  0
 23 59  1  0  0  0  0
 23 60  1  0  0  0  0
 24 61  1  0  0  0  0
 24 62  1  0  0  0  0
 24 63  1  0  0  0  0
M  END

$$$$
D04EDK
  -OEChem-10101305032D

 34 35  0     0  0  0  0  0  0999 V2000
    2.8660   -4.5000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    4.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.0000    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
    3.7320    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    3.0000    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
    3.7320    4.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    4.0000    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
    2.8660   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.5000    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
    3.7320   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1215    3.1077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5200    2.4174    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6762    2.4174    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0747    3.1077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8101    0.9174    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2087    1.6077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    1.4631   -1.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    1.4631   -3.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 18  1  0  0  0  0
  2 10  1  0  0  0  0
  2 11  1  0  0  0  0
  3 13  2  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 12  1  0  0  0  0
  5 13  1  0  0  0  0
  5 31  1  0  0  0  0
  6 16  1  0  0  0  0
  6 18  2  0  0  0  0
  7 10  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
  8 22  1  0  0  0  0
  9 12  1  0  0  0  0
  9 23  1  0  0  0  0
  9 24  1  0  0  0  0
 10 25  1  0  0  0  0
 10 26  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
 12 30  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  2  0  0  0  0
 15 17  2  0  0  0  0
 15 32  1  0  0  0  0
 16 33  1  0  0  0  0
 17 18  1  0  0  0  0
 17 34  1  0  0  0  0
M  END

$$$$
D04EDO
  -OEChem-10191522142D

 29 29  0     0  0  0  0  0  0999 V2000
    7.0064    0.4807    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8090   -0.8273    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3090    0.7116    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.7006    0.8408    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.1654   -0.8064    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.6028    0.2228    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3122    0.1206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5691   -0.5485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2633   -0.1884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0000   -0.2395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  9  1  0  0  0  0
  1 12  1  0  0  0  0
  1 22  1  0  0  0  0
  2 10  1  0  0  0  0
  2 13  1  0  0  0  0
  2 23  1  0  0  0  0
  3 11  1  0  0  0  0
  3 13  2  0  0  0  0
  4 12  1  0  0  0  0
  4 15  1  0  0  0  0
  4 26  1  0  0  0  0
  5 12  2  0  0  0  0
  5 14  1  0  0  0  0
  6 15  3  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 16  1  0  0  0  0
  7 17  1  0  0  0  0
  8 10  1  0  0  0  0
  8 18  1  0  0  0  0
  8 19  1  0  0  0  0
  9 20  1  0  0  0  0
  9 21  1  0  0  0  0
 10 11  2  0  0  0  0
 11 24  1  0  0  0  0
 13 25  1  0  0  0  0
 14 27  1  0  0  0  0
 14 28  1  0  0  0  0
 14 29  1  0  0  0  0
M  END

$$$$
D04EGE
          06101000442D 1   1.00000     0.00000     0

 32 35  0     0  0            999 V2000
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    0.0557   -1.5898    0.0000 C   0  0  0  0  0  0           0  0  0
    0.6706   -1.9444    0.0000 C   0  0  0  0  0  0           0  0  0
    0.6688   -0.5247    0.0000 C   0  0  0  0  0  0           0  0  0
    1.9600   -0.6568    0.0000 N   0  0  0  0  0  0           0  0  0
    1.2800   -0.8755    0.0000 C   0  0  0  0  0  0           0  0  0
    1.2788   -1.5904    0.0000 N   0  0  3  0  0  0           0  0  0
    1.9589   -1.8113    0.0000 C   0  0  0  0  0  0           0  0  0
    2.3781   -1.2321    0.0000 C   0  0  0  0  0  0           0  0  0
    3.0864   -1.2314    0.0000 C   0  0  0  0  0  0           0  0  0
    3.4394   -1.8444    0.0000 C   0  0  0  0  0  0           0  0  0
    4.1471   -1.8440    0.0000 C   0  0  0  0  0  0           0  0  0
    4.5014   -1.2298    0.0000 C   0  0  0  0  0  0           0  0  0
    4.1428   -0.6146    0.0000 C   0  0  0  0  0  0           0  0  0
    3.4363   -0.6180    0.0000 C   0  0  0  0  0  0           0  0  0
    5.2097   -1.2281    0.0000 O   0  0  0  0  0  0           0  0  0
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    1.9542   -2.5167    0.0000 C   0  0  0  0  0  0           0  0  0
    2.5652   -2.8750    0.0000 C   0  0  0  0  0  0           0  0  0
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    3.1714   -3.9416    0.0000 C   0  0  0  0  0  0           0  0  0
    3.1638   -4.6473    0.0000 C   0  0  0  0  0  0           0  0  0
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    0.6673    0.1836    0.0000 Cl  0  0  0  0  0  0           0  0  0
   -0.5579   -1.9437    0.0000 Cl  0  0  0  0  0  0           0  0  0
 15 10  1  0     0  0
  6  4  1  0     0  0
 13 16  1  0     0  0
  5  6  2  0     0  0
 16 17  1  0     0  0
  7  8  1  0     0  0
 17 18  1  0     0  0
  8  9  2  0     0  0
  8 19  1  0     0  0
  9  5  1  0     0  0
 19 20  1  0     0  0
  4  1  2  0     0  0
 20 21  1  0     0  0
  9 10  1  0     0  0
 20 22  2  0     0  0
  6  7  1  0     0  0
 21 23  1  0     0  0
 10 11  2  0     0  0
 21 24  1  0     0  0
 24 25  2  0     0  0
 11 12  1  0     0  0
 25 26  1  0     0  0
  2  3  2  0     0  0
 26 27  2  0     0  0
 12 13  2  0     0  0
 27 28  1  0     0  0
  3  7  1  0     0  0
 28 29  2  0     0  0
 29 24  1  0     0  0
 13 14  1  0     0  0
 29 30  1  0     0  0
  1  2  1  0     0  0
  4 31  1  0     0  0
 14 15  2  0     0  0
  2 32  1  0     0  0
M  ISO  1  23  11
M  END

$$$$
D04EIE
  -OEChem-04152109432D

 34 33  0     1  0  0  0  0  0999 V2000
    7.1962    2.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    4.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    3.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.2500    0.0000 N   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
    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
    5.4641    2.7500    0.0000 C   0  0  1  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    3.2500    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
    2.8660   -1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.7500    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
    5.6762    1.1674    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0747    1.8577    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    1.3800   -4.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.6200   -4.2500    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
  1 29  1  0  0  0  0
  2 10  2  0  0  0  0
  8  3  1  6  0  0  0
  3 23  1  0  0  0  0
  3 24  1  0  0  0  0
  4  9  1  0  0  0  0
  4 11  2  0  0  0  0
  5 11  1  0  0  0  0
  5 33  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 16  1  0  0  0  0
  6 17  1  0  0  0  0
  7  9  1  0  0  0  0
  7 18  1  0  0  0  0
  7 19  1  0  0  0  0
  8 10  1  0  0  0  0
  8 20  1  0  0  0  0
  9 21  1  0  0  0  0
  9 22  1  0  0  0  0
 11 12  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 15  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
 15 30  1  0  0  0  0
 15 31  1  0  0  0  0
 15 32  1  0  0  0  0
M  END

$$$$
D04EKZ
  -OEChem-10191522382D

 50 52  0     1  0  0  0  0  0999 V2000
    5.1350    7.0600    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    0.0600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -1.9400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -6.4400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    1.0600    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    2.5369   -6.4400    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    5.1350    0.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    2.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    1.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    3.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -0.4400    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
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    5.1350    4.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -1.4400    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
    4.2690    4.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    5.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    5.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -2.9400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    6.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -3.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -3.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -4.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -4.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -4.9400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -5.9400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1 21  1  0  0  0  0
  2 12  1  0  0  0  0
  2 40  1  0  0  0  0
  3 15  1  0  0  0  0
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  4 27  2  0  0  0  0
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  6 49  1  0  0  0  0
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 10 13  1  0  0  0  0
 10 34  1  0  0  0  0
 10 35  1  0  0  0  0
 11 13  2  0  0  0  0
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 12 36  1  0  0  0  0
 13 37  1  0  0  0  0
 14 16  2  0  0  0  0
 14 17  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
 16 41  1  0  0  0  0
 17 19  2  0  0  0  0
 17 42  1  0  0  0  0
 18 21  2  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 23  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 47  1  0  0  0  0
 25 26  1  0  0  0  0
 25 48  1  0  0  0  0
 26 27  1  0  0  0  0
M  END

$$$$
D04ELJ
  -OEChem-10101305032D

 29 31  0     0  0  0  0  0  0999 V2000
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    4.8299    2.5972    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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 17 29  1  0  0  0  0
M  END

$$$$
D04EOH
  -OEChem-04152111132D

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 42112  1  0  0  0  0
M  END

$$$$
D04EOV
  -OEChem-10101305022D

 36 37  0     0  0  0  0  0  0999 V2000
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    7.1962    0.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0901   -0.8447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7282   -0.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9962    0.7108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0901    1.2247    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
    5.4641   -0.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5923   -0.8408    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
    2.8660   -0.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4599   -1.3076    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2569   -1.3106    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0829   -1.4646    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1286    0.1359    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3315    0.1390    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    6.3301    1.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   11.2802   -1.3766    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.1280   -1.1529    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9044   -0.3051    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4675   -1.2850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2646   -1.2850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    1.4631    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -0.8469    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  2  0  0  0  0
  2 17  1  0  0  0  0
  2 18  1  0  0  0  0
  3 17  2  0  0  0  0
  4  8  1  0  0  0  0
  4 15  1  0  0  0  0
  4 27  1  0  0  0  0
  5  6  1  0  0  0  0
  5  9  2  0  0  0  0
  5 11  1  0  0  0  0
  6 10  1  0  0  0  0
  6 20  1  0  0  0  0
  6 21  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  7 13  1  0  0  0  0
  8 12  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
 10 24  1  0  0  0  0
 11 12  2  0  0  0  0
 11 25  1  0  0  0  0
 12 26  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 17  1  0  0  0  0
 15 28  1  0  0  0  0
 16 29  1  0  0  0  0
 16 30  1  0  0  0  0
 16 31  1  0  0  0  0
 18 19  1  0  0  0  0
 18 32  1  0  0  0  0
 18 33  1  0  0  0  0
 19 34  1  0  0  0  0
 19 35  1  0  0  0  0
 19 36  1  0  0  0  0
M  END

$$$$
D04EOZ
  -OEChem-10101305022D

 44 45  0     1  0  0  0  0  0999 V2000
    2.0000   -3.4400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.4400    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.8660   -1.9400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.9400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.9400    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.5981   -2.9400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.5600    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
    4.5981    0.0600    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
    3.7320    3.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7320    2.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7320    2.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    4.0600    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
    2.6540   -1.3574    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2554   -2.0477    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2087   -2.0477    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8101   -1.3574    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8101   -3.5226    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2087   -2.8323    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3335   -3.9150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1306   -3.9150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -0.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -0.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5200    4.1426    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1215    3.4523    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    1.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291    1.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7320    1.9400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3520    2.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7320    3.1800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7320    3.1800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1120    2.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7320    1.9400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.9081    3.5231    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    4.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2881    4.5969    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  5  1  1  1  0  0  0
  1 41  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  8  1  1  0  0  0
  2 19  1  0  0  0  0
  3  5  1  0  0  0  0
  3 20  1  0  0  0  0
  3 21  1  0  0  0  0
  4  6  1  0  0  0  0
  4 22  1  0  0  0  0
  4 23  1  0  0  0  0
  5  7  1  0  0  0  0
  5 24  1  0  0  0  0
  6  7  1  0  0  0  0
  6 25  1  0  0  0  0
  6 26  1  0  0  0  0
  7 27  1  0  0  0  0
  7 28  1  0  0  0  0
  8 11  2  0  0  0  0
  8 12  1  0  0  0  0
  9 10  1  0  0  0  0
  9 13  1  0  0  0  0
  9 16  1  0  0  0  0
  9 17  1  0  0  0  0
 10 14  2  0  0  0  0
 10 15  1  0  0  0  0
 11 14  1  0  0  0  0
 11 29  1  0  0  0  0
 12 15  2  0  0  0  0
 12 30  1  0  0  0  0
 13 18  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
 15 34  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 42  1  0  0  0  0
 18 43  1  0  0  0  0
 18 44  1  0  0  0  0
M  END

$$$$
D04EPO
  -OEChem-10101305022D

 31 33  0     0  0  0  0  0  0999 V2000
    8.9942   -1.4292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    3.0950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -3.4050    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.9050    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
    3.7320    0.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.4050    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
    7.2241    0.6297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2241   -1.4397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1301   -0.9258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1301    0.1158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.0950    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
    2.0000    0.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.2690    1.9050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.3291    3.4050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  1  0  0  0  0
  1 30  1  0  0  0  0
  2 17  1  0  0  0  0
  2 31  1  0  0  0  0
  3 20  3  0  0  0  0
  4  6  1  0  0  0  0
  4  7  2  0  0  0  0
  4 11  1  0  0  0  0
  5  7  1  0  0  0  0
  5  8  1  0  0  0  0
  5 10  2  0  0  0  0
  6  9  2  0  0  0  0
  6 12  1  0  0  0  0
  7 21  1  0  0  0  0
  8 14  2  0  0  0  0
  8 16  1  0  0  0  0
  9 10  1  0  0  0  0
  9 20  1  0  0  0  0
 10 22  1  0  0  0  0
 11 15  2  0  0  0  0
 11 23  1  0  0  0  0
 12 13  2  0  0  0  0
 12 24  1  0  0  0  0
 13 15  1  0  0  0  0
 14 17  1  0  0  0  0
 14 25  1  0  0  0  0
 15 26  1  0  0  0  0
 16 18  2  0  0  0  0
 16 27  1  0  0  0  0
 17 19  2  0  0  0  0
 18 19  1  0  0  0  0
 18 28  1  0  0  0  0
 19 29  1  0  0  0  0
M  END

$$$$
D04EPS
          02161001082D 1   1.00000     0.00000     0

 27 28  0     0  0            999 V2000
   -3.0520   -1.4238    0.0000 C   0  0  0  0  0  0           0  0  0
   -3.0520   -0.6447    0.0000 C   0  0  0  0  0  0           0  0  0
   -3.7228   -0.2572    0.0000 C   0  0  0  0  0  0           0  0  0
   -4.3978   -0.6447    0.0000 C   0  0  0  0  0  0           0  0  0
   -4.3978   -1.4238    0.0000 C   0  0  0  0  0  0           0  0  0
   -3.7228   -1.8155    0.0000 C   0  0  0  0  0  0           0  0  0
   -2.3813   -1.8155    0.0000 S   0  0  3  0  0  0           0  0  0
   -2.7688   -2.4821    0.0000 O   0  0  0  0  0  0           0  0  0
   -1.9938   -1.1363    0.0000 O   0  0  0  0  0  0           0  0  0
   -1.7063   -2.2030    0.0000 N   0  0  0  0  0  0           0  0  0
   -3.7228    0.5220    0.0000 N   0  0  0  0  0  0           0  0  0
   -5.0685   -0.2572    0.0000 O   0  0  0  0  0  0           0  0  0
   -5.7477   -0.6447    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.0356   -1.8155    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.3607   -2.2030    0.0000 C   0  0  0  0  0  0           0  0  0
    0.3102   -1.8155    0.0000 C   0  0  0  0  0  0           0  0  0
    0.3102   -1.0322    0.0000 C   0  0  0  0  0  0           0  0  0
    0.9851   -0.6447    0.0000 C   0  0  0  0  0  0           0  0  0
    1.6558   -1.0322    0.0000 C   0  0  0  0  0  0           0  0  0
    1.6558   -1.8155    0.0000 C   0  0  0  0  0  0           0  0  0
    0.9851   -2.2030    0.0000 C   0  0  0  0  0  0           0  0  0
    0.9851   -2.9780    0.0000 O   0  0  0  0  0  0           0  0  0
    1.6558   -3.3697    0.0000 C   0  0  0  0  0  0           0  0  0
    2.3308   -0.6447    0.0000 O   0  0  0  0  0  0           0  0  0
    3.0015   -1.0322    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.3607   -0.6447    0.0000 O   0  0  0  0  0  0           0  0  0
   -0.3607    0.1303    0.0000 C   0  0  0  0  0  0           0  0  0
  2  1  1  0     0  0
  3  2  2  0     0  0
  4  3  1  0     0  0
  5  4  2  0     0  0
  6  5  1  0     0  0
  6  1  2  0     0  0
  8  7  2  0     0  0
  9  7  2  0     0  0
  7 10  1  0     0  0
  1  7  1  0     0  0
  3 11  1  0     0  0
 12 13  1  0     0  0
  4 12  1  0     0  0
 15 14  2  0     0  0
 16 15  1  0     0  0
 17 16  1  0     0  0
 18 17  2  0     0  0
 19 18  1  0     0  0
 20 19  2  0     0  0
 21 20  1  0     0  0
 21 16  2  0     0  0
 22 23  1  0     0  0
 21 22  1  0     0  0
 24 25  1  0     0  0
 19 24  1  0     0  0
 26 27  1  0     0  0
 17 26  1  0     0  0
 10 14  1  0     0  0
M  END

$$$$
D04EQE
  -OEChem-10101305032D

 67 72  0     1  0  0  0  0  0999 V2000
    3.0172    1.9840    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8090    0.9422    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8565   -0.1002    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5445   -1.0748    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9438    3.1374    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8974    5.0750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2766   -1.0748    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7419    2.7519    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    4.5445    1.8235    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.3665    1.3489    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.7226    1.3489    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.3472    2.7519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0719    1.9840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.4033    2.8511    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    2.7452    3.3890    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7226   -0.2202    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    5.5569    3.4575    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.2224    3.8076    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    3.5653    2.7560    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8565   -0.7202    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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 11  2  1  6  0  0  0
  2 25  1  0  0  0  0
 16  3  1  6  0  0  0
  3 52  1  0  0  0  0
 19  4  1  6  0  0  0
  4 27  1  0  0  0  0
  5 22  1  0  0  0  0
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  9  8  1  1  0  0  0
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 10 13  1  1  0  0  0
 10 14  1  0  0  0  0
 10 17  1  0  0  0  0
 11 16  1  0  0  0  0
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 13 39  1  0  0  0  0
 13 40  1  0  0  0  0
 14 19  1  0  0  0  0
 14 41  1  0  0  0  0
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 15 20  1  0  0  0  0
 15 43  1  1  0  0  0
 16 19  1  0  0  0  0
 16 44  1  0  0  0  0
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 18 45  1  0  0  0  0
 18 46  1  0  0  0  0
 19 47  1  0  0  0  0
 20 23  1  0  0  0  0
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 27 28  1  0  0  0  0
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 29 59  1  0  0  0  0
 29 60  1  0  0  0  0
 29 61  1  0  0  0  0
 30 31  1  0  0  0  0
 30 62  1  0  0  0  0
 31 32  2  0  0  0  0
 31 33  1  0  0  0  0
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 32 63  1  0  0  0  0
 33 35  2  0  0  0  0
 33 64  1  0  0  0  0
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 34 65  1  0  0  0  0
 35 36  1  0  0  0  0
 35 66  1  0  0  0  0
 36 67  1  0  0  0  0
M  END

$$$$
D04EQF
  -OEChem-08301509482D

 39 41  0     1  0  0  0  0  0999 V2000
    7.1962   -0.2673    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.2673    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.2327    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.2327    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    9.7942    0.2327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942    1.2327    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
    8.9282   -0.2673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    1.7327    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
    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
   10.6882   -0.3020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6882    1.7673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5942    0.2119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5942    1.2535    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
    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
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    2.0000   -1.2673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    0.5427    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    8.9282    2.3527    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5252    1.5427    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9501    1.2327    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    1.8527    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7101    1.2327    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6810   -0.9220    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6810    2.3873    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
   12.1300   -0.1002    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.1300    1.5656    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
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    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
  1  4  1  0  0  0  0
  1  7  1  0  0  0  0
  2 11  2  0  0  0  0
  3 11  1  0  0  0  0
  3 17  1  0  0  0  0
  3 32  1  0  0  0  0
  4 11  1  0  0  0  0
  4 12  1  0  0  0  0
  4 23  1  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  5 13  2  0  0  0  0
  6  9  1  0  0  0  0
  6 14  2  0  0  0  0
  7  8  2  0  0  0  0
  7 10  1  0  0  0  0
  8 24  1  0  0  0  0
  9 10  2  0  0  0  0
  9 25  1  0  0  0  0
 10 26  1  0  0  0  0
 12 27  1  0  0  0  0
 12 28  1  0  0  0  0
 12 29  1  0  0  0  0
 13 15  1  0  0  0  0
 13 30  1  0  0  0  0
 14 16  1  0  0  0  0
 14 31  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 18  2  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
 18 35  1  0  0  0  0
 19 21  2  0  0  0  0
 19 36  1  0  0  0  0
 20 22  2  0  0  0  0
 20 37  1  0  0  0  0
 21 22  1  0  0  0  0
 21 38  1  0  0  0  0
 22 39  1  0  0  0  0
M  END

$$$$
D04ETB
  -OEChem-10101305022D

 68 69  0     1  0  0  0  0  0999 V2000
    6.0010    2.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7331   -0.2321    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    2.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0010   -1.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    8.2331    2.3660    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.2331    0.6340    0.0000 C   0  0  2  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
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    6.8671    2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7331    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2331    0.6340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.2690   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    4.5000    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
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   10.2080    1.8985    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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 31 67  1  0  0  0  0
 32 68  1  0  0  0  0
M  END

$$$$
D04ETX
  -OEChem-10101305022D

 36 36  0     0  0  0  0  0  0999 V2000
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 18 35  1  0  0  0  0
 19 36  1  0  0  0  0
M  END

$$$$
D04EWA
  -OEChem-10101305022D

206212  0     1  0  0  0  0  0999 V2000
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M  END

$$$$
D04EWW
  -OEChem-10191522152D

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 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

$$$$
D04EXA
  -OEChem-04152110052D

 36 37  0     1  0  0  0  0  0999 V2000
    2.8660   -2.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -3.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.0000    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
    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 C   0  0  2  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
    4.5981    1.0000    0.0000 C   0  0  2  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
    7.1962    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    3.0000    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
    3.7320    1.5000    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
    5.4641   -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  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   -2.0000    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
    6.2002    1.9250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9316    0.5251    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7287    0.5251    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4082    0.9174    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8067    1.6077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8067    2.3923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4082    3.0826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9272    2.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7287    3.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9316    3.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951   -0.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -0.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -1.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100    2.0369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    1.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900    0.9631    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 16  1  0  0  0  0
  2 18  1  0  0  0  0
  3 13  1  0  0  0  0
  3 19  1  0  0  0  0
  4 13  2  0  0  0  0
  5  6  1  0  0  0  0
  5 11  1  0  0  0  0
  5 28  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6 20  1  1  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 12  1  0  0  0  0
  8 13  1  6  0  0  0
  8 23  1  0  0  0  0
  9 10  1  0  0  0  0
  9 24  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 29  1  0  0  0  0
 11 30  1  0  0  0  0
 12 14  2  0  0  0  0
 12 15  1  0  0  0  0
 14 16  1  0  0  0  0
 14 31  1  0  0  0  0
 15 17  2  0  0  0  0
 15 32  1  0  0  0  0
 16 18  2  0  0  0  0
 17 18  1  0  0  0  0
 17 33  1  0  0  0  0
 19 34  1  0  0  0  0
 19 35  1  0  0  0  0
 19 36  1  0  0  0  0
M  END

$$$$
D04EXR
  -OEChem-10101305022D

 16 17  0     0  0  0  0  0  0999 V2000
    3.7320    1.6970    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.3030    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.8550    1.4523    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1279   -0.3030    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5443   -1.1077    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.1970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.8030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5443    0.5018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.6970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.3030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1279   -0.3030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.1970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.8030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7369   -1.6970    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.9230    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291    0.5070    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  2 13  1  0  0  0  0
  3  8  2  0  0  0  0
  4 11  2  0  0  0  0
  5  7  1  0  0  0  0
  5 11  1  0  0  0  0
  5 14  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  6  9  1  0  0  0  0
  7 10  1  0  0  0  0
  8 11  1  0  0  0  0
  9 12  2  0  0  0  0
 10 13  2  0  0  0  0
 10 15  1  0  0  0  0
 12 13  1  0  0  0  0
 12 16  1  0  0  0  0
M  END

$$$$
D04EXX
          06171000262D 1   1.00000     0.00000     0

 17 17  0     0  0            999 V2000
    0.3655    0.2931    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.0517   -0.4241    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.0448    1.0034    0.0000 C   0  0  0  0  0  0           0  0  0
    1.1862    0.2966    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.8724   -0.4241    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.8759    1.0069    0.0000 C   0  0  0  0  0  0           0  0  0
    1.6000   -0.4172    0.0000 N   0  0  0  0  0  0           0  0  0
   -1.2897    0.2966    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.2724   -1.1552    0.0000 F   0  0  0  0  0  0           0  0  0
    2.4276   -0.4172    0.0000 N   0  0  0  0  0  0           0  0  0
   -2.1103    0.2966    0.0000 N   0  0  0  0  0  0           0  0  0
    2.8414   -1.1276    0.0000 C   0  0  0  0  0  0           0  0  0
   -2.5241    1.0103    0.0000 C   0  0  0  0  0  0           0  0  0
    3.6621   -1.1310    0.0000 N   0  0  0  0  0  0           0  0  0
    2.4241   -1.8448    0.0000 S   0  0  0  0  0  0           0  0  0
   -3.3517    1.0069    0.0000 C   0  0  0  0  0  0           0  0  0
   -2.1069    1.7276    0.0000 O   0  0  0  0  0  0           0  0  0
  1  2  1  0     0  0
  1  3  2  0     0  0
  1  4  1  0     0  0
  2  5  2  0     0  0
  3  6  1  0     0  0
  4  7  2  0     0  0
  5  8  1  0     0  0
  5  9  1  0     0  0
  7 10  1  0     0  0
  8 11  1  0     0  0
 10 12  1  0     0  0
 11 13  1  0     0  0
 12 14  1  0     0  0
 12 15  2  0     0  0
 13 16  1  0     0  0
 13 17  2  0     0  0
  6  8  2  0     0  0
M  END

$$$$
D04EYR
  -OEChem-10101305032D

 56 59  0     0  0  0  0  0  0999 V2000
    2.0000    0.7327    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -2.2673    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5263   -0.7673    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    0.2327    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.3923    0.7327    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.5263    2.2327    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.7673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -1.2673    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
    7.1962    0.7327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -0.7673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    0.7327    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
    9.7942    0.2327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603    0.7327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.7673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603    1.7327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5263    0.2327    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
    3.7320   -1.2673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3923    1.7327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942    2.2327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2862    0.1980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.7327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.7673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2862    2.2673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1923    0.7119    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
   14.1923    1.7535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0564    0.2085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7932   -0.4573    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1181    0.8153    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7196    0.1250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7976   -1.7423    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5947   -1.7423    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2742   -1.3499    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6728   -0.6597    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5947    1.2076    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7976    1.2076    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3267    1.2076    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5297    1.2076    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3957   -0.2423    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1928   -0.2423    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    0.5427    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.8873    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1042    2.7696    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2573    2.5427    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4842    1.6957    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.2791   -0.4220    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.3527    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -1.0773    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.2791    2.8873    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.7281    2.0656    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.7443   -0.3272    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.5921   -0.1035    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.3685    0.7443    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 28  1  0  0  0  0
  2 13  2  0  0  0  0
  3 18  2  0  0  0  0
  4 10  1  0  0  0  0
  4 11  1  0  0  0  0
  4 12  1  0  0  0  0
  5 18  1  0  0  0  0
  5 21  1  0  0  0  0
  5 23  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 13  1  0  0  0  0
  7 31  1  0  0  0  0
  8 11  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 32  1  0  0  0  0
  9 33  1  0  0  0  0
 10 38  1  0  0  0  0
 10 39  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 40  1  0  0  0  0
 12 41  1  0  0  0  0
 13 16  1  0  0  0  0
 14 15  1  0  0  0  0
 14 42  1  0  0  0  0
 14 43  1  0  0  0  0
 15 17  2  0  0  0  0
 15 18  1  0  0  0  0
 16 19  2  0  0  0  0
 16 20  1  0  0  0  0
 17 22  1  0  0  0  0
 19 24  1  0  0  0  0
 19 44  1  0  0  0  0
 20 25  2  0  0  0  0
 20 45  1  0  0  0  0
 21 26  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 27  2  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 28  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 29  1  0  0  0  0
 27 30  1  0  0  0  0
 29 53  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
M  END

$$$$
D04EZN
  -OEChem-10101305022D

 34 35  0     1  0  0  0  0  0999 V2000
    5.4071   -1.8184    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.5686    1.2639    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.7694    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.2694    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.7320    0.2694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.2306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.7694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    2.7694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.2694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.2306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.2694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7891   -1.8184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3776   -0.1373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0981   -2.7694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0468    0.6058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0981   -2.7694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5468    1.4719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.1194    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951   -0.0406    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9081    1.2325    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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 13 15  1  0  0  0  0
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 15 17  2  0  0  0  0
 15 32  1  0  0  0  0
 16 33  1  0  0  0  0
 17 34  1  0  0  0  0
M  END

$$$$
D04FBZ
  -OEChem-10111523302D

 44 48  0     1  0  0  0  0  0999 V2000
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 14  2  1  6  0  0  0
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  9 28  1  0  0  0  0
 10 13  2  0  0  0  0
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 13 19  1  0  0  0  0
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 15 17  2  0  0  0  0
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 16 20  2  0  0  0  0
 17 35  1  0  0  0  0
 18 22  1  0  0  0  0
 18 36  1  0  0  0  0
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 22 23  2  0  0  0  0
 22 41  1  0  0  0  0
 23 43  1  0  0  0  0
 23 44  1  0  0  0  0
M  END

$$$$
D04FFS
  -OEChem-10101305022D

 46 47  0     0  0  0  0  0  0999 V2000
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 24 46  1  0  0  0  0
M  END

$$$$
D04FFY
  -OEChem-10101305022D

 56 59  0     1  0  0  0  0  0999 V2000
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 13  4  1  1  0  0  0
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 22 48  1  0  0  0  0
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 26 53  1  0  0  0  0
 27 30  2  0  0  0  0
 27 54  1  0  0  0  0
 28 55  1  0  0  0  0
 29 30  1  0  0  0  0
 30 56  1  0  0  0  0
M  END

$$$$
D04FHG
  -OEChem-10191522332D

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 29 32  1  0  0  0  0
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 30 31  1  0  0  0  0
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 34 35  1  0  0  0  0
 35 87  1  0  0  0  0
 35 88  1  0  0  0  0
 35 89  1  0  0  0  0
M  CHG  2   6  -1   9   1
M  END

$$$$
D04FHZ
  -OEChem-10101305032D

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   10.9276    1.3844    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0615    1.2472    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4888    1.4459    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    1.8887    2.6572    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 19  2  0  0  0  0
  3  7  1  0  0  0  0
  3 10  1  0  0  0  0
  3 13  1  0  0  0  0
  4  7  1  0  0  0  0
  4 11  1  0  0  0  0
  4 15  1  0  0  0  0
  5 19  1  0  0  0  0
  5 20  1  0  0  0  0
  5 44  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 12  1  6  0  0  0
  7 27  1  6  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  2  0  0  0  0
  9 14  1  0  0  0  0
 10 30  1  0  0  0  0
 10 31  1  0  0  0  0
 11 16  1  0  0  0  0
 12 32  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 17  2  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
 15 41  1  0  0  0  0
 16 18  2  0  0  0  0
 16 42  1  0  0  0  0
 17 18  1  0  0  0  0
 18 43  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  2  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 45  1  0  0  0  0
 23 26  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  2  0  0  0  0
 25 50  1  0  0  0  0
 26 51  1  0  0  0  0
M  END

$$$$
D04FIN
  -OEChem-10101305032D

 43 45  0     0  0  0  0  0  0999 V2000
    5.4641    0.5223    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2125   -2.5123    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9942   -1.5019    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.0223    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.9777    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -2.4777    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.9777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.0223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.0223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.5223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2241   -1.5124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.4777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.9777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2241    0.5569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1301   -0.9985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.5223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.0223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1301    0.0431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    2.0223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.5223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.5223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0727   -3.0223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8622   -1.0052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    3.0223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.4777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0611   -1.2877    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2169    1.1769    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6659    0.3552    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    2.6423    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    0.2123    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    1.8323    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7565   -3.5556    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    8.3889   -2.4890    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1701   -1.5433    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4003   -0.6973    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5542   -0.4671    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2181    3.0223    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    3.6423    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9781    3.0223    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -0.9408    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -1.7877    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   -2.0146    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 11  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 17  1  0  0  0  0
  5 25  1  0  0  0  0
  6 12  2  0  0  0  0
  7  8  2  0  0  0  0
  7 11  1  0  0  0  0
  7 12  1  0  0  0  0
  8 14  1  0  0  0  0
  9 10  1  0  0  0  0
  9 13  2  0  0  0  0
 10 16  2  0  0  0  0
 10 17  1  0  0  0  0
 11 15  2  0  0  0  0
 12 13  1  0  0  0  0
 13 26  1  0  0  0  0
 14 18  2  0  0  0  0
 14 27  1  0  0  0  0
 15 18  1  0  0  0  0
 16 19  1  0  0  0  0
 17 20  2  0  0  0  0
 18 28  1  0  0  0  0
 19 21  2  0  0  0  0
 19 29  1  0  0  0  0
 20 21  1  0  0  0  0
 20 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
 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
 25 41  1  0  0  0  0
 25 42  1  0  0  0  0
 25 43  1  0  0  0  0
M  END

$$$$
D04FLL
  -OEChem-10101305022D

 24 25  0     1  0  0  0  0  0999 V2000
    5.4641    0.5600    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -1.4400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.4400    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.0600    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.5981   -0.9400    0.0000 C   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
    6.3301    0.0600    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
    3.7320    1.5600    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
    2.8660    2.0600    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
    2.0000    1.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.6800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9875   -0.8323    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3860   -1.5226    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -2.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9407   -0.0477    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5422    0.6426    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   -0.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    2.6800    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
    1.4631    1.8700    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  8  2  0  0  0  0
  3  5  1  0  0  0  0
  3  8  1  0  0  0  0
  3 17  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4 14  1  0  0  0  0
  5 15  1  0  0  0  0
  5 16  1  0  0  0  0
  6  9  2  0  0  0  0
  6 10  1  0  0  0  0
  7  8  1  0  0  0  0
  7 18  1  0  0  0  0
  7 19  1  0  0  0  0
  9 11  1  0  0  0  0
  9 20  1  0  0  0  0
 10 12  2  0  0  0  0
 10 21  1  0  0  0  0
 11 13  2  0  0  0  0
 11 22  1  0  0  0  0
 12 13  1  0  0  0  0
 12 23  1  0  0  0  0
 13 24  1  0  0  0  0
M  END

$$$$
D04FMU
  -OEChem-10101305032D

 33 35  0     0  0  0  0  0  0999 V2000
    3.4782   -1.8995    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3147    2.0950    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.9128    1.5950    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7166    1.5950    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1808   -0.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4487   -0.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3147   -0.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1808    0.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0468   -0.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4487    0.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3147    1.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5827   -0.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0468   -1.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9128   -0.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6691   -0.4983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.7788   -0.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.2414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.5827    1.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1 12  1  0  0  0  0
  1 20  1  0  0  0  0
  2 11  1  0  0  0  0
  2 27  1  0  0  0  0
  2 28  1  0  0  0  0
  3 21  3  0  0  0  0
  4 22  3  0  0  0  0
  5  7  2  0  0  0  0
  5  8  1  0  0  0  0
  5  9  1  0  0  0  0
  6  7  1  0  0  0  0
  6 10  2  0  0  0  0
  6 12  1  0  0  0  0
  7 23  1  0  0  0  0
  8 11  2  0  0  0  0
  8 21  1  0  0  0  0
  9 13  2  0  0  0  0
  9 14  1  0  0  0  0
 10 11  1  0  0  0  0
 10 22  1  0  0  0  0
 12 15  2  0  0  0  0
 13 16  1  0  0  0  0
 13 24  1  0  0  0  0
 14 17  2  0  0  0  0
 14 25  1  0  0  0  0
 15 18  1  0  0  0  0
 15 26  1  0  0  0  0
 16 19  2  0  0  0  0
 16 29  1  0  0  0  0
 17 19  1  0  0  0  0
 17 30  1  0  0  0  0
 18 20  2  0  0  0  0
 18 31  1  0  0  0  0
 19 32  1  0  0  0  0
 20 33  1  0  0  0  0
M  END

$$$$
D04FNI
  -OEChem-04152108582D

 74 83  0     1  0  0  0  0  0999 V2000
    6.5625    0.4208    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747   -0.0464    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.5625    1.4208    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.2532   -0.2526    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.9644    1.9208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2067   -2.8979    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3305    0.7796    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1654   -2.3044    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5625    3.4208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2102   -0.6651    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8304    0.4208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.9175   -1.7412    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    5.8058   -3.2641    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    7.8942   -1.4709    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    5.3080   -1.7412    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.0934   -0.2463    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.1128   -2.3248    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.4872   -1.0511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6128   -0.7950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 46 72  1  0  0  0  0
M  END

$$$$
D04FNY
  -OEChem-10101305022D

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 32 56  1  0  0  0  0
 33 57  1  0  0  0  0
M  END

$$$$
D04FPW
  -OEChem-10101305022D

190197  0     1  0  0  0  0  0999 V2000
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101189  1  0  0  0  0
M  END

$$$$
D04FQA
  -OEChem-04152111342D

 49 51  0     1  0  0  0  0  0999 V2000
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M  END

$$$$
D04FQV
  -OEChem-10191521562D

144147  0     1  0  0  0  0  0999 V2000
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 74140  1  0  0  0  0
 76141  1  0  0  0  0
M  END

$$$$
D04FQZ
  -OEChem-04152109542D

 39 39  0     0  0  0  0  0  0999 V2000
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M  END

$$$$
D04FUZ
  -OEChem-10101305022D

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    1.6900   -2.8084    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -3.6553    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   -3.8823    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 15  1  0  0  0  0
  2 16  1  0  0  0  0
  3 19  1  0  0  0  0
  3 22  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4 11  1  0  0  0  0
  5  8  1  0  0  0  0
  5 25  1  0  0  0  0
  5 26  1  0  0  0  0
  6  7  1  0  0  0  0
  6 23  1  0  0  0  0
  6 24  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 10  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 12  1  0  0  0  0
 11 35  1  0  0  0  0
 11 36  1  0  0  0  0
 12 13  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 15  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 17  1  0  0  0  0
 16 18  2  0  0  0  0
 17 19  2  0  0  0  0
 17 45  1  0  0  0  0
 18 20  1  0  0  0  0
 18 46  1  0  0  0  0
 19 21  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
 22 49  1  0  0  0  0
 22 50  1  0  0  0  0
 22 51  1  0  0  0  0
M  END

$$$$
D04FVX
  -OEChem-10101305022D

 50 49  0     0  0  0  0  0  0999 V2000
    4.5981    2.9050    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    5.4641    4.4050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -4.0950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.5950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    3.4050    0.0000 N   0  3  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
    4.5981   -0.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.0950    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
    8.9282    3.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942    2.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    2.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603    3.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    2.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    3.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5263    2.9050    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
   12.3923    3.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6762   -0.1776    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0747    0.5127    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3860    0.4876    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9875   -0.2027    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2520    1.9876    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8535    1.2973    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8101   -1.6776    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2087   -0.9873    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5422    1.3224    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9407    2.0127    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3267    3.8800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5297    3.8800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3957    2.4300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1928    2.4300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5200   -1.0124    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1215   -1.7027    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6636    2.4300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4607    2.4300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0588    3.8800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2617    3.8800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    4.0250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1278    2.4300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9248    2.4300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9441   -3.1776    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3426   -2.4873    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.7023    2.8681    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.9292    3.7150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.0823    3.9419    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -4.4050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  2  5  2  0  0  0  0
  3 21  1  0  0  0  0
  3 50  1  0  0  0  0
  4 21  2  0  0  0  0
  5 16  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
  6 23  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 10  1  0  0  0  0
  8 26  1  0  0  0  0
  8 27  1  0  0  0  0
  9 13  1  0  0  0  0
  9 28  1  0  0  0  0
  9 29  1  0  0  0  0
 10 16  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 14  1  0  0  0  0
 11 32  1  0  0  0  0
 11 33  1  0  0  0  0
 12 15  1  0  0  0  0
 12 34  1  0  0  0  0
 12 35  1  0  0  0  0
 13 19  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
 14 38  1  0  0  0  0
 14 39  1  0  0  0  0
 15 18  1  0  0  0  0
 15 40  1  0  0  0  0
 15 41  1  0  0  0  0
 16 17  2  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
 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
 20 48  1  0  0  0  0
 20 49  1  0  0  0  0
M  CHG  2   1  -1   5   1
M  END

$$$$
D04FWH
  -OEChem-10191521332D

 18 18  0     0  0  0  0  0  0999 V2000
    2.8660   -2.5950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.9050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.4050    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
    2.0000   -0.0950    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   -1.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.0950    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
    3.7320    1.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6540    1.9876    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2554    1.2973    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    0.2150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.2150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -1.4050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -1.4050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    1.5950    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -2.9050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  1 18  1  0  0  0  0
  2 10  2  0  0  0  0
  3  4  1  0  0  0  0
  3  5  2  0  0  0  0
  3  6  1  0  0  0  0
  4 10  1  0  0  0  0
  4 11  1  0  0  0  0
  4 12  1  0  0  0  0
  5  7  1  0  0  0  0
  5 13  1  0  0  0  0
  6  8  2  0  0  0  0
  6 14  1  0  0  0  0
  7  9  2  0  0  0  0
  7 15  1  0  0  0  0
  8  9  1  0  0  0  0
  8 16  1  0  0  0  0
 10 17  1  0  0  0  0
M  END

$$$$
D04FXD
  -OEChem-10101305022D

  3  2  0     0  0  0  0  0  0999 V2000
    3.7320    0.5000    0.0000 O   0  5  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    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  2  3  3  0  0  0  0
M  CHG  1   1  -1
M  END

$$$$
D04FYN
  -OEChem-04152109552D

 46 47  0     0  0  0  0  0  0999 V2000
    4.5981   -3.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -3.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    1.7500    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
    8.0622    2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    0.2500    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
    8.9282    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
    8.0622   -0.2500    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
    5.4641   -2.7500    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    3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    3.2500    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    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
    4.5981   -4.2500    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
    3.7320   -4.7500    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   -1.1300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6592    1.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651    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
    8.0622   -0.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651   -0.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6592    2.9400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651    2.9400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6592    4.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651    4.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    5.3700    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
    3.2646   -0.7751    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
    3.4220   -4.2131    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951   -5.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0420   -5.2869    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
    1.4631   -2.0600    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 15  1  0  0  0  0
  1 22  1  0  0  0  0
  2 16  1  0  0  0  0
  2 23  1  0  0  0  0
  3 15  2  0  0  0  0
  4 16  2  0  0  0  0
  5  9  1  0  0  0  0
  5 12  2  0  0  0  0
  6  8  1  0  0  0  0
  6 10  2  0  0  0  0
  6 11  1  0  0  0  0
  7 12  1  0  0  0  0
  7 15  1  0  0  0  0
  7 16  1  0  0  0  0
  7 26  1  0  0  0  0
  8 17  2  0  0  0  0
  8 18  1  0  0  0  0
  9 10  1  0  0  0  0
  9 13  2  0  0  0  0
 10 27  1  0  0  0  0
 11 14  2  0  0  0  0
 11 28  1  0  0  0  0
 12 29  1  0  0  0  0
 13 14  1  0  0  0  0
 13 30  1  0  0  0  0
 14 31  1  0  0  0  0
 17 19  1  0  0  0  0
 17 32  1  0  0  0  0
 18 20  2  0  0  0  0
 18 33  1  0  0  0  0
 19 21  2  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 36  1  0  0  0  0
 22 24  1  0  0  0  0
 22 37  1  0  0  0  0
 22 38  1  0  0  0  0
 23 25  1  0  0  0  0
 23 39  1  0  0  0  0
 23 40  1  0  0  0  0
 24 41  1  0  0  0  0
 24 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

$$$$
D04GAX
  -OEChem-10101305022D

 34 35  0     0  0  0  0  0  0999 V2000
    4.6551    3.3184    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.2694    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.7694    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2731    3.3184    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.7694    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.7306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    2.7306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9641    4.2694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9641    4.2694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.7694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  7  1  0  0  0  0
  1  8  1  0  0  0  0
  2 13  1  0  0  0  0
  2 18  1  0  0  0  0
  3 18  2  0  0  0  0
  4  7  2  0  0  0  0
  4  9  1  0  0  0  0
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  5 18  1  0  0  0  0
  5 29  1  0  0  0  0
  6  7  1  0  0  0  0
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  8 19  1  0  0  0  0
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  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 17  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
 13 15  2  0  0  0  0
 14 16  2  0  0  0  0
 14 28  1  0  0  0  0
 15 16  1  0  0  0  0
 15 30  1  0  0  0  0
 16 31  1  0  0  0  0
 17 32  1  0  0  0  0
 17 33  1  0  0  0  0
 17 34  1  0  0  0  0
M  END

$$$$
D04GBL
  -OEChem-10101305022D

 31 32  0     0  0  0  0  0  0999 V2000
    3.8854   -0.8184    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6166    3.2520    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    4.3854    0.7204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6944   -0.2306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0194   -2.3184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2044    2.4430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7515   -2.3184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0194   -3.3184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1534   -1.8184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.8854   -3.8184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2836    1.8762    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    1.6164   -1.5084    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0000    3.1872    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1  6  1  0  0  0  0
  1  8  1  0  0  0  0
  2 10  1  0  0  0  0
  2 30  1  0  0  0  0
  2 31  1  0  0  0  0
  3  4  1  0  0  0  0
  3  6  2  0  0  0  0
  3  7  1  0  0  0  0
  4 10  1  0  0  0  0
  4 16  1  0  0  0  0
  4 17  1  0  0  0  0
  5  9  1  0  0  0  0
  5 11  2  0  0  0  0
  6 18  1  0  0  0  0
  7  8  2  0  0  0  0
  7 19  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 21  1  0  0  0  0
 10 22  1  0  0  0  0
 11 14  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 25  1  0  0  0  0
 13 26  1  0  0  0  0
 13 27  1  0  0  0  0
 14 15  2  0  0  0  0
 14 28  1  0  0  0  0
 15 29  1  0  0  0  0
M  END

$$$$
D04GDW
  -OEChem-10101305022D

 53 56  0     1  0  0  0  0  0999 V2000
    9.6309    2.0777    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.6524    1.8714    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4246    3.0562    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8371    1.0991    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0185   -0.3446    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0024   -2.4362    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6094    2.2839    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3955    0.6162    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.3955   -0.3838    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.5294   -0.8838    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    8.3417    0.9209    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    8.3417   -0.6886    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.8020    2.8732    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  2  0  0  0  0
  1  4  2  0  0  0  0
  1  7  1  0  0  0  0
 12  2  1  1  0  0  0
  5 24  1  0  0  0  0
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  6 25  1  0  0  0  0
  6 50  1  0  0  0  0
  7 48  1  0  0  0  0
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  8  9  1  0  0  0  0
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  9 27  1  6  0  0  0
 10 11  1  0  0  0  0
 10 17  1  0  0  0  0
 10 28  1  1  0  0  0
 11 15  1  0  0  0  0
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 11 29  1  6  0  0  0
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 13 15  1  0  0  0  0
 13 31  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
 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 20  1  0  0  0  0
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 17 40  1  0  0  0  0
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 18 42  1  0  0  0  0
 18 43  1  0  0  0  0
 19 21  1  0  0  0  0
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 20 21  1  0  0  0  0
 20 44  1  0  0  0  0
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 21 23  2  0  0  0  0
 22 24  1  0  0  0  0
 22 46  1  0  0  0  0
 23 25  1  0  0  0  0
 23 47  1  0  0  0  0
 24 25  2  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
M  END

$$$$
D04GDY
  -OEChem-10101305032D

 53 55  0     1  0  0  0  0  0999 V2000
    8.9942   -2.1016    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2458    0.9330    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    9.8602   -1.6016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7702   -0.0948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.1282   -0.6016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8762    1.4676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1282   -1.6016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3602   -2.4676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8602   -1.6016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7783    0.9468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2342   -2.1363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8723    2.4676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3282   -1.6224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0000   -2.1391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5931   -1.0323    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   10.6702   -3.0046    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   10.4923    2.4700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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 23 52  1  0  0  0  0
 23 53  1  0  0  0  0
M  END

$$$$
D04GFX
  -OEChem-10191522262D

 27 29  0     0  0  0  0  0  0999 V2000
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 18 27  1  0  0  0  0
M  END

$$$$
D04GGK
  -OEChem-04152122262D

102102  0     1  0  0  0  0  0999 V2000
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 26 27  1  0  0  0  0
 26 75  1  0  0  0  0
 26 76  1  0  0  0  0
 27 28  1  0  0  0  0
 27 77  1  0  0  0  0
 28 78  1  0  0  0  0
 28 79  1  0  0  0  0
 29 30  1  0  0  0  0
 29 31  1  0  0  0  0
 29 80  1  0  0  0  0
 29 81  1  0  0  0  0
 30 32  1  0  0  0  0
 30 82  1  0  0  0  0
 30 83  1  0  0  0  0
 31 84  1  0  0  0  0
 31 85  1  0  0  0  0
 32 86  1  0  0  0  0
 32 87  1  0  0  0  0
 33 39  1  0  0  0  0
 33 88  1  0  0  0  0
 33 89  1  0  0  0  0
 34 37  1  0  0  0  0
 34 90  1  0  0  0  0
 35 38  2  0  0  0  0
 35 91  1  0  0  0  0
 36 37  2  0  0  0  0
 36 38  1  0  0  0  0
 37 92  1  0  0  0  0
 38 93  1  0  0  0  0
 39 94  1  0  0  0  0
 39 95  1  0  0  0  0
 39 96  1  0  0  0  0
 40 97  1  0  0  0  0
 40 98  1  0  0  0  0
 40 99  1  0  0  0  0
 41100  1  0  0  0  0
 41101  1  0  0  0  0
 41102  1  0  0  0  0
M  CHG  2   6  -1   8   1
M  END

$$$$
D04GGW
  -OEChem-10101305022D

 38 38  0     0  0  0  0  0  0999 V2000
    4.5981   -2.4050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    4.0950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    5.0950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.4050    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    4.0950    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -5.4050    0.0000 N   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
    5.4641    1.0950    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
    5.4641    2.0950    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
    6.3301    2.5950    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
    6.3301    3.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -4.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -4.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3860    1.1776    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9875    0.4873    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6762    0.5124    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0747    1.2027    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8101   -0.9876    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2087   -0.2973    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2520    2.6776    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8535    1.9873    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5200   -0.3224    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1215   -1.0127    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5422    2.0124    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9407    2.7027    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -2.0950    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    3.7850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -3.5950    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -3.5950    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -5.2150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -5.2150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    5.4050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  2  0  0  0  0
  2 14  2  0  0  0  0
  3  5  1  0  0  0  0
  3 38  1  0  0  0  0
  4 13  1  0  0  0  0
  4 15  1  0  0  0  0
  4 32  1  0  0  0  0
  5 14  1  0  0  0  0
  5 33  1  0  0  0  0
  6 18  2  0  0  0  0
  6 19  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 11  1  0  0  0  0
  9 24  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 14  1  0  0  0  0
 12 30  1  0  0  0  0
 12 31  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
 16 34  1  0  0  0  0
 17 19  2  0  0  0  0
 17 35  1  0  0  0  0
 18 36  1  0  0  0  0
 19 37  1  0  0  0  0
M  END

$$$$
D04GHK
  -OEChem-10101305022D

 31 31  0     1  0  0  0  0  0999 V2000
    2.8660   -3.0600    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.9400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.4400    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.4400    0.0000 C   0  0  3  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
    4.5981    0.9400    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
    5.4641    1.4400    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
    3.7320   -0.5600    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
    3.7320   -1.5600    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   -3.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4682    1.8650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6540    1.5226    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2554    0.8323    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1996    0.4651    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9966    0.4651    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951    2.7500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7741    0.9031    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    1.7500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1541    1.9769    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
    4.2690   -0.2500    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
    4.2690   -1.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    3.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -3.0231    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -3.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   -4.0969    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  3  1  0  0  0  0
  2 28  1  0  0  0  0
  3  4  1  0  0  0  0
  3 20  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4 15  1  0  0  0  0
  5  7  1  0  0  0  0
  5 16  1  0  0  0  0
  5 17  1  0  0  0  0
  6  8  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
  7 10  1  0  0  0  0
  8 21  1  0  0  0  0
  8 22  1  0  0  0  0
  8 23  1  0  0  0  0
  9 11  1  0  0  0  0
  9 24  1  0  0  0  0
 10 12  2  0  0  0  0
 10 25  1  0  0  0  0
 11 13  2  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
 14 29  1  0  0  0  0
 14 30  1  0  0  0  0
 14 31  1  0  0  0  0
M  END

$$$$
D04GOO
  -OEChem-10101305022D

 54 56  0     0  0  0  0  0  0999 V2000
   10.6603    4.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -5.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    3.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    3.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.5000    0.0000 N   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
    3.7320   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.0000    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
    6.3301    2.5000    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
    7.1962    1.0000    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
    8.9282    4.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.5000    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
    4.5981   -3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942    4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    6.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942    5.5000    0.0000 C   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
   11.5263    4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -6.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9841    4.5826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5856    3.8923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5200   -1.4174    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1215   -2.1077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9272    1.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    2.6900    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
    7.7331    1.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -1.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    3.3800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -3.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5252    5.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -3.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331   -0.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    6.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -4.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3312    5.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -5.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8363    3.9631    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.0632    4.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2163    5.0369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3800   -6.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -6.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6200   -6.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 23  1  0  0  0  0
  1 29  1  0  0  0  0
  2 24  1  0  0  0  0
  2 30  1  0  0  0  0
  3 14  2  0  0  0  0
  4 15  2  0  0  0  0
  5  7  1  0  0  0  0
  5 14  1  0  0  0  0
  5 36  1  0  0  0  0
  6  8  1  0  0  0  0
  6 15  1  0  0  0  0
  6 37  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 18  2  0  0  0  0
  9 20  1  0  0  0  0
 10 19  2  0  0  0  0
 10 21  1  0  0  0  0
 11 13  2  0  0  0  0
 11 14  1  0  0  0  0
 11 16  1  0  0  0  0
 12 13  1  0  0  0  0
 12 15  1  0  0  0  0
 12 17  2  0  0  0  0
 13 35  1  0  0  0  0
 16 22  2  0  0  0  0
 16 38  1  0  0  0  0
 17 22  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
 19 24  1  0  0  0  0
 19 41  1  0  0  0  0
 20 25  2  0  0  0  0
 20 42  1  0  0  0  0
 21 26  2  0  0  0  0
 21 43  1  0  0  0  0
 22 44  1  0  0  0  0
 23 27  2  0  0  0  0
 24 28  2  0  0  0  0
 25 27  1  0  0  0  0
 25 45  1  0  0  0  0
 26 28  1  0  0  0  0
 26 46  1  0  0  0  0
 27 47  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 52  1  0  0  0  0
 30 53  1  0  0  0  0
 30 54  1  0  0  0  0
M  END

$$$$
D04GPT
  -OEChem-10101305032D

 33 34  0     0  0  0  0  0  0999 V2000
    7.1962    4.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -4.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.5000    0.0000 N   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
    3.7320   -1.0000    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
    5.4641    2.0000    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
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M  END

$$$$
D04GRS
  -OEChem-10101305022D

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M  END

$$$$
D04GSN
  -OEChem-10121500022D

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 43 44  1  0  0  0  0
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 44 90  1  0  0  0  0
 45 47  1  0  0  0  0
 45 91  1  0  0  0  0
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 46 94  1  0  0  0  0
 46 95  1  0  0  0  0
 47 48  1  0  0  0  0
 47 96  1  0  0  0  0
 47 97  1  0  0  0  0
 48 49  1  0  0  0  0
 48 98  1  0  0  0  0
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 49 50  2  0  0  0  0
 49 51  1  0  0  0  0
 50 52  1  0  0  0  0
 50100  1  0  0  0  0
 51 53  2  0  0  0  0
 51101  1  0  0  0  0
 52 54  2  0  0  0  0
 52102  1  0  0  0  0
 53 54  1  0  0  0  0
 53103  1  0  0  0  0
 54104  1  0  0  0  0
M  END

$$$$
D04GTP
  -OEChem-10101305032D

 54 56  0     1  0  0  0  0  0999 V2000
    4.8916    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   10.6435    3.7672    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    4.5766    4.9890    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2100    6.6818    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6930    4.0779    0.0000 N   0  3  3  0  0  0  0  0  0  0  0  0
    8.5813    5.6154    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9273    5.5179    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0813    4.0765    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.8903    4.6643    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.3909    3.1319    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3850    3.1327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2723    4.6643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2723    3.4887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5813    5.6154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2822    4.8859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2569    4.4320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8963    6.4001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.5380    7.4224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8886    7.9513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6060    6.7874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9113    7.7396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8433    8.3747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3924    5.0281    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7848    3.0018    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4566    2.5154    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3204    2.5161    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9914    3.0037    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9457    6.1169    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9078    3.9903    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   10.7832    4.5206    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6475    5.3869    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0721    3.8402    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0947    6.9875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4627    6.6537    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7380    4.9275    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    3.2529    8.5640    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8916    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 54  1  0  0  0  0
  2  5  1  0  0  0  0
  3 18  1  0  0  0  0
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  4 20  2  0  0  0  0
  5  9  1  0  0  0  0
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  5 15  1  0  0  0  0
  6  9  1  0  0  0  0
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  7 20  1  0  0  0  0
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  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
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  9 29  1  0  0  0  0
 10 11  1  0  0  0  0
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 11 32  1  0  0  0  0
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 12 14  2  0  0  0  0
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 13 35  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
 15 39  1  0  0  0  0
 15 40  1  0  0  0  0
 16 18  2  0  0  0  0
 16 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
 19 43  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  2  0  0  0  0
 22 24  1  0  0  0  0
 22 25  2  0  0  0  0
 23 26  1  0  0  0  0
 23 45  1  0  0  0  0
 24 28  1  0  0  0  0
 24 46  1  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 27  2  0  0  0  0
 26 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
M  CHG  2   2  -1   5   1
M  END

$$$$
D04GVX
  -OEChem-10101305022D

 23 25  0     0  0  0  0  0  0999 V2000
    7.3991   -1.7403    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.5274    1.1203    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.0039    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0274   -0.4185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0274   -0.4185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3424   -1.2033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7183    0.5325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3364    0.5325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3219   -0.9946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7029    0.7648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7123   -1.2033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3518    0.7648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.0547   -0.0039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1 13  1  0  0  0  0
  2  7  1  0  0  0  0
  2  8  1  0  0  0  0
  2 17  1  0  0  0  0
  3  9  1  0  0  0  0
  3 10  2  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4  7  2  0  0  0  0
  5  8  2  0  0  0  0
  5 11  1  0  0  0  0
  6  9  1  0  0  0  0
  6 15  1  0  0  0  0
  6 16  1  0  0  0  0
  7 10  1  0  0  0  0
  8 12  1  0  0  0  0
  9 18  1  0  0  0  0
  9 19  1  0  0  0  0
 10 20  1  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 22  1  0  0  0  0
 13 14  1  0  0  0  0
 14 23  1  0  0  0  0
M  END

$$$$
D04GWD
  -OEChem-10191522162D

 48 51  0     0  0  0  0  0  0999 V2000
    2.8660   -2.8170    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.5981    0.1830    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.3170    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    4.5981   -3.8170    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
    5.4641    1.6830    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
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    3.5200    0.1004    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1 16  2  0  0  0  0
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 16 18  1  0  0  0  0
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 17 42  1  0  0  0  0
 18 22  1  0  0  0  0
 19 43  1  0  0  0  0
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 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

$$$$
D04GWR
  -OEChem-10101305032D

 40 43  0     0  0  0  0  0  0999 V2000
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   11.6486   -0.2340    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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   10.1097   -0.7340    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.3698   -1.9941    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.6570   -3.1531    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.0171   -1.4589    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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 21 34  1  0  0  0  0
 22 35  1  0  0  0  0
 23 36  1  0  0  0  0
M  END

$$$$
D04GXL
  -OEChem-10101305022D

164166  0     1  0  0  0  0  0999 V2000
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 78 79  1  0  0  0  0
 78163  1  0  0  0  0
 79164  1  0  0  0  0
M  CHG  2   2   1  11  -1
M  END

$$$$
D04GXW
  -OEChem-04152108592D

 33 34  0     1  0  0  0  0  0999 V2000
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 13  4  1  1  0  0  0
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M  END

$$$$
D04GYD
  -OEChem-10101305022D

 41 44  0     0  0  0  0  0  0999 V2000
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 23 39  1  0  0  0  0
 24 25  1  0  0  0  0
 25 40  1  0  0  0  0
M  END

$$$$
D04GYT
  -OEChem-10101305022D

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 40 73  1  0  0  0  0
M  END

$$$$
D04GZD
  -OEChem-10101305022D

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M  END

$$$$
D04HAA
          08210901222D 1   1.00000     0.00000     0

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 19 20  2  0     0  0
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 29 30  2  0     0  0
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 14  3  1  0     0  0
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 33 22  1  0     0  0
 15 16  2  0     0  0
 22 35  1  0     0  0
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 35 36  2  0     0  0
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 17 18  2  0     0  0
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 39 40  2  0     0  0
 40 35  1  0     0  0
 18 19  1  0     0  0
 38 41  1  0     0  0
 24  6  1  6     0  0
  2  4  1  0     0  0
M  END

$$$$
D04HDO
  -OEChem-10101305032D

 43 46  0     0  0  0  0  0  0999 V2000
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 23 41  1  0  0  0  0
 24 42  1  0  0  0  0
 25 43  1  0  0  0  0
M  END

$$$$
D04HFC
  -OEChem-10101305022D

 49 53  0     1  0  0  0  0  0999 V2000
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 26 47  1  0  0  0  0
 26 48  1  0  0  0  0
 26 49  1  0  0  0  0
M  END

$$$$
D04HGN
  -OEChem-10101305022D

 44 47  0     0  0  0  0  0  0999 V2000
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  7 27  1  0  0  0  0
  8 13  1  0  0  0  0
  8 24  1  0  0  0  0
  9 14  1  0  0  0  0
  9 18  1  0  0  0  0
  9 22  1  0  0  0  0
 10 12  1  0  0  0  0
 10 18  2  0  0  0  0
 11 24  2  0  0  0  0
 11 26  1  0  0  0  0
 12 22  2  0  0  0  0
 13 26  2  0  0  0  0
 14 16  2  0  0  0  0
 14 17  1  0  0  0  0
 15 19  2  0  0  0  0
 15 20  1  0  0  0  0
 15 23  1  0  0  0  0
 16 19  1  0  0  0  0
 16 33  1  0  0  0  0
 17 20  2  0  0  0  0
 17 34  1  0  0  0  0
 19 35  1  0  0  0  0
 20 36  1  0  0  0  0
 21 24  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
 25 26  1  0  0  0  0
 25 40  1  0  0  0  0
 25 41  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 42  1  0  0  0  0
 31 32  1  0  0  0  0
 31 43  1  0  0  0  0
 32 44  1  0  0  0  0
M  END

$$$$
D04HHR
  -OEChem-10101305022D

 47 49  0     1  0  0  0  0  0999 V2000
    2.5369   -0.0427    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -1.0427    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    1.9573    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651   -1.0427    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    6.8671    0.4573    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    1.9573    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651   -0.0427    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.3591   -1.5774    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.5991    0.4573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3591    0.4920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331   -0.0427    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.5991   -1.5427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2651   -1.0635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331   -1.0427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2651   -0.0219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3475   -2.5773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -0.0427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    0.4573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    1.4573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -0.0427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    1.9573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    0.4573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    1.4573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4586    0.8073    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8180   -1.8801    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9976    0.9322    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2006    0.9322    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7527    0.9710    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9545    0.9617    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    0.5773    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2006   -2.0176    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9976   -2.0176    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4742   -1.6472    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8760   -0.9574    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1225   -0.9350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5210   -1.6253    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8760   -0.1280    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4742    0.5618    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7276   -2.5701    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3403   -3.1973    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9675   -2.5845    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    1.0773    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -0.6627    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    2.5773    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    2.5773    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    2.5773    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.6473    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 22  1  0  0  0  0
  2 17  2  0  0  0  0
  3 19  1  0  0  0  0
  3 45  1  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
 11  5  1  6  0  0  0
  5 17  1  0  0  0  0
  5 42  1  0  0  0  0
  6 23  1  0  0  0  0
  6 46  1  0  0  0  0
  6 47  1  0  0  0  0
  7  9  1  0  0  0  0
  7 10  1  0  0  0  0
  7 24  1  6  0  0  0
  8 13  1  0  0  0  0
  8 16  1  1  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 15  1  0  0  0  0
 10 28  1  0  0  0  0
 10 29  1  0  0  0  0
 11 14  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 15  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 39  1  0  0  0  0
 16 40  1  0  0  0  0
 16 41  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
 20 22  1  0  0  0  0
 20 43  1  0  0  0  0
 21 23  1  0  0  0  0
 21 44  1  0  0  0  0
 22 23  2  0  0  0  0
M  END

$$$$
D04HMD
  -OEChem-10101305022D

 18 17  0     0  0  0  0  0  0999 V2000
    3.4030   -0.2015    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -0.7015    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9030    0.6645    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9030   -1.0675    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    0.2985    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -1.2015    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -0.2015    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.2985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    0.2985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -0.2015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6675    0.7735    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8705    0.7735    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -0.8215    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3996    0.7735    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6025    0.7735    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.3915    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2130    1.2015    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2700   -0.0115    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  8  1  0  0  0  0
  2 16  1  0  0  0  0
  3 17  1  0  0  0  0
  5 10  1  0  0  0  0
  5 18  1  0  0  0  0
  6 10  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
  8 11  1  0  0  0  0
  8 12  1  0  0  0  0
  9 10  1  0  0  0  0
  9 14  1  0  0  0  0
  9 15  1  0  0  0  0
M  END

$$$$
D04HNO
  -OEChem-10101305022D

 36 37  0     0  0  0  0  0  0999 V2000
    9.0622    2.1550    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -2.3450    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.1962    1.6550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -1.3450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8660    2.1550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5622    1.2890    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5622    3.0210    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.3450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0000   -2.3450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -3.3450    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.9282    2.6550    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7320    0.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5981    2.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7320    1.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8660    0.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4641    1.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8660   -0.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3301    2.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5981    3.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5981    0.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3301    3.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7320   -1.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4641    3.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5981   -0.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3291    0.4650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4641    1.0350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1350    0.4650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0611    3.4650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7320   -1.9650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8671    3.4650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1350   -1.1550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4641    4.2750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4631   -3.6550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5369   -3.6550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4651    2.3450    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9282    3.2750    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 11  1  0  0  0  0
  2  4  1  0  0  0  0
  2  8  2  0  0  0  0
  2  9  2  0  0  0  0
  2 10  1  0  0  0  0
  3 18  1  0  0  0  0
  4 17  1  0  0  0  0
  5 14  2  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 14  1  0  0  0  0
 12 15  2  0  0  0  0
 12 20  1  0  0  0  0
 13 14  1  0  0  0  0
 13 16  2  0  0  0  0
 13 19  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 22  2  0  0  0  0
 18 21  2  0  0  0  0
 19 23  2  0  0  0  0
 19 28  1  0  0  0  0
 20 24  2  0  0  0  0
 20 27  1  0  0  0  0
 21 23  1  0  0  0  0
 21 30  1  0  0  0  0
 22 24  1  0  0  0  0
 22 29  1  0  0  0  0
 23 32  1  0  0  0  0
 24 31  1  0  0  0  0
M  END

$$$$
D04HPP
  -OEChem-10101305022D

208213  0     1  0  0  0  0  0999 V2000
    2.0000    2.7500    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   14.9904   -1.7500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   16.7224    1.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.8244    2.0506    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.2583    0.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.8459    5.0362    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.1244   -3.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603   -4.2500    0.0000 O   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
   10.6603   -0.2500    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
    5.4641    2.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    6.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.9904   -7.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    7.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -7.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.8564    2.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   18.3596    3.6979    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.9904    0.2500    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
   13.2583   -1.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   18.6869    6.3233    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.5263   -2.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942   -1.7500    0.0000 N   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
    7.1962    2.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    4.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.8564   -6.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    7.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282   -7.2500    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
   16.6654    3.3378    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   16.3564    4.2888    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3564    4.2888    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0474    3.3378    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
   14.9904    1.2500    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   17.6165    3.0288    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1244    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1244    2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END

$$$$
D04HPX
  -OEChem-10101305022D

 51 54  0     1  0  0  0  0  0999 V2000
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    3.7319    1.7499    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.7700    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 26 51  1  0  0  0  0
M  END

$$$$
D04HQK
  -OEChem-10101305022D

 26 27  0     0  0  0  0  0  0999 V2000
    4.8198    2.7362    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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 10 13  1  0  0  0  0
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 17 23  1  0  0  0  0
 18 24  1  0  0  0  0
M  END

$$$$
D04HQL
  -OEChem-10101305022D

 78 78  0     1  0  0  0  0  0999 V2000
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    5.1350   -2.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1215   -1.4523    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5200   -2.1426    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3426   -0.6677    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9441    0.0226    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7932    0.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9272   -0.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331   -0.8700    0.0000 H   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
    7.7331    1.1300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    3.8200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2573    3.6300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5762   -1.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    7.8162   -1.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5252    4.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    5.7932    3.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9703    3.9031    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   10.4142    2.9400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291    1.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1 22  2  0  0  0  0
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  7 36  1  0  0  0  0
  7 78  1  0  0  0  0
  8 36  2  0  0  0  0
  9 19  1  0  0  0  0
 20  9  1  1  0  0  0
  9 50  1  0  0  0  0
 10 22  1  0  0  0  0
 24 10  1  6  0  0  0
 10 57  1  0  0  0  0
 11 26  1  0  0  0  0
 28 11  1  1  0  0  0
 11 60  1  0  0  0  0
 29 12  1  6  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 19  1  0  0  0  0
 13 37  1  0  0  0  0
 14 17  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
 15 38  1  0  0  0  0
 15 39  1  0  0  0  0
 16 18  1  0  0  0  0
 16 44  1  0  0  0  0
 16 45  1  0  0  0  0
 17 18  1  0  0  0  0
 17 42  1  0  0  0  0
 17 43  1  0  0  0  0
 18 46  1  0  0  0  0
 18 47  1  0  0  0  0
 19 48  1  0  0  0  0
 19 49  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
 20 51  1  0  0  0  0
 21 23  1  0  0  0  0
 21 52  1  0  0  0  0
 21 53  1  0  0  0  0
 23 27  1  0  0  0  0
 23 54  1  0  0  0  0
 23 55  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  1  0  0  0  0
 24 56  1  0  0  0  0
 25 30  1  0  0  0  0
 25 58  1  0  0  0  0
 28 32  1  0  0  0  0
 28 33  1  0  0  0  0
 28 59  1  0  0  0  0
 29 31  1  0  0  0  0
 29 36  1  0  0  0  0
 29 61  1  0  0  0  0
 30 63  1  0  0  0  0
 30 64  1  0  0  0  0
 30 65  1  0  0  0  0
 31 34  1  0  0  0  0
 31 35  1  0  0  0  0
 31 62  1  0  0  0  0
 33 68  1  0  0  0  0
 33 69  1  0  0  0  0
 33 70  1  0  0  0  0
 34 71  1  0  0  0  0
 34 72  1  0  0  0  0
 34 73  1  0  0  0  0
 35 74  1  0  0  0  0
 35 75  1  0  0  0  0
 35 76  1  0  0  0  0
M  END

$$$$
D04HQP
  -OEChem-10101305022D

 27 27  0     0  0  0  0  0  0999 V2000
    2.8660    1.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -2.7500    0.0000 N   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
    3.7320    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.2500    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   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -0.7500    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
    8.0622   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3426    1.1423    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9441    1.8326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1215    0.3577    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5200   -0.3326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4860    2.7500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900    1.7869    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    0.9400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100    0.7131    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    3.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2460    2.7500    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
    5.7932   -2.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991   -0.9400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991   -2.5600    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  6  1  0  0  0  0
  2 11  1  0  0  0  0
  2 13  2  0  0  0  0
  3  4  1  0  0  0  0
  3 14  1  0  0  0  0
  3 15  1  0  0  0  0
  4  7  1  0  0  0  0
  4 16  1  0  0  0  0
  4 17  1  0  0  0  0
  5 18  1  0  0  0  0
  5 22  1  0  0  0  0
  5 23  1  0  0  0  0
  6 19  1  0  0  0  0
  6 20  1  0  0  0  0
  6 21  1  0  0  0  0
  7  9  3  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 11  2  0  0  0  0
 10 12  2  0  0  0  0
 10 24  1  0  0  0  0
 11 25  1  0  0  0  0
 12 13  1  0  0  0  0
 12 26  1  0  0  0  0
 13 27  1  0  0  0  0
M  END

$$$$
D04HRS
  -OEChem-04152109212D

 30 31  0     0  0  0  0  0  0999 V2000
    3.7320    3.7500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.7320    3.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7320    3.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -4.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    4.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.2500    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
    3.7320    2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    2.2500    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
    3.7320    0.7500    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
    4.5981    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.7500    0.0000 C   0  0  0  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
    2.0000   -2.2500    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   -3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291    2.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    2.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291    0.9400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    0.9400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    5.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951    5.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -1.9400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -1.9400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -3.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -3.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -5.0600    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  5  1  0  0  0  0
  1  8  1  0  0  0  0
  4 17  1  0  0  0  0
  4 30  1  0  0  0  0
  5 24  1  0  0  0  0
  5 25  1  0  0  0  0
  6  7  2  0  0  0  0
  6 11  1  0  0  0  0
  7 14  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 20  1  0  0  0  0
 10 13  2  0  0  0  0
 10 21  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 12 22  1  0  0  0  0
 13 23  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
 15 26  1  0  0  0  0
 16 19  2  0  0  0  0
 16 27  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 18 28  1  0  0  0  0
 19 29  1  0  0  0  0
M  END

$$$$
D04HSS
  -OEChem-10101305022D

 35 35  0     0  0  0  0  0  0999 V2000
    6.3301    4.3450    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.1550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.1550    0.0000 N   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    1.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.3450    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
    3.7320   -0.1550    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
    2.8660   -1.6550    0.0000 C   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
    2.0000   -3.1550    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   -4.1550    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
    2.8660   -4.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3860    1.9276    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9875    1.2373    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6762    1.2624    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0747    1.9527    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8101   -0.2376    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2087    0.4527    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.2690   -4.4650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -5.2750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  1 30  1  0  0  0  0
  2 10  2  0  0  0  0
  3  8  1  0  0  0  0
  3 10  1  0  0  0  0
  3 29  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  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 19  1  0  0  0  0
  5 20  1  0  0  0  0
  6  8  1  0  0  0  0
  6 21  1  0  0  0  0
  6 22  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 27  1  0  0  0  0
  9 28  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 12 14  1  0  0  0  0
 12 31  1  0  0  0  0
 13 15  2  0  0  0  0
 13 32  1  0  0  0  0
 14 16  2  0  0  0  0
 14 33  1  0  0  0  0
 15 16  1  0  0  0  0
 15 34  1  0  0  0  0
 16 35  1  0  0  0  0
M  END

$$$$
D04HVL
  -OEChem-10101305022D

 42 43  0     0  0  0  0  0  0999 V2000
    2.8660    3.1550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    3.1550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    4.1550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -4.3450    0.0000 N   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   -0.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END

$$$$
D04HWF
  -OEChem-10121501462D

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M  END

$$$$
D04HWJ
  -OEChem-10101305032D

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 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
 15 39  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
M  END

$$$$
D04HXF
  -OEChem-10101305022D

 45 46  0     1  0  0  0  0  0999 V2000
    2.0000    1.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    0.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.2500    0.0000 N   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    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.2500    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.0000    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.7500    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
    8.9282    1.2500    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
    8.0622   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    1.7500    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
    8.0622   -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
    8.9282   -1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1996   -0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9966   -0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3426    1.1423    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9441    1.8326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4675   -0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2646   -0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    0.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2646    2.2250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4675    2.2250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3894    0.3577    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7880   -0.3326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9316   -0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   10.1042    1.2131    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3312    2.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4842    2.2869    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3312    0.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5252   -1.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3312   -1.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282   -2.3700    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 11  1  0  0  0  0
  2 14  1  0  0  0  0
  3  8  1  0  0  0  0
  3 35  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4  7  1  0  0  0  0
  5  8  1  0  0  0  0
  5 21  1  0  0  0  0
  5 22  1  0  0  0  0
  6 10  1  0  0  0  0
  6 23  1  0  0  0  0
  6 24  1  0  0  0  0
  7  9  1  0  0  0  0
  7 25  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 30  1  0  0  0  0
  9 31  1  0  0  0  0
 10 28  1  0  0  0  0
 10 29  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 15  1  0  0  0  0
 12 16  1  0  0  0  0
 12 34  1  0  0  0  0
 13 14  1  0  0  0  0
 13 17  2  0  0  0  0
 14 18  2  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 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 42  1  0  0  0  0
 18 20  1  0  0  0  0
 18 43  1  0  0  0  0
 19 20  2  0  0  0  0
 19 44  1  0  0  0  0
 20 45  1  0  0  0  0
M  END

$$$$
D04HXU
  -OEChem-10191521322D

 37 41  0     1  0  0  0  0  0999 V2000
    4.0142   -0.2341    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9407   -1.4413    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1890   -0.4391    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2120    0.4008    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1026    1.5592    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0629   -2.9526    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4289   -0.2916    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9910    1.0852    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5774    1.1728    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    4.2230    2.9346    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1969   -0.4256    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.0629   -0.9256    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.1851   -1.4413    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.9289   -0.4256    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.1969    0.5744    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.0629    1.0744    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.9289    0.5744    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.4742   -0.3484    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.0629   -1.9526    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.9289    0.5744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2569    1.9352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0209   -1.5441    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0000   -0.1818    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    3.5260   -3.2626    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6759    3.2263    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    7.0489   -0.2916    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
  2 14  1  0  0  0  0
  2 19  1  0  0  0  0
  3 16  1  0  0  0  0
  3 19  1  0  0  0  0
  4 15  1  0  0  0  0
  4 32  1  0  0  0  0
  5 17  1  0  0  0  0
  5 33  1  0  0  0  0
  6 19  1  0  0  0  0
  6 34  1  0  0  0  0
  7 20  1  0  0  0  0
  7 37  1  0  0  0  0
  8 11  1  0  0  0  0
  8 21  1  0  0  0  0
  8 28  1  0  0  0  0
  9 18  1  0  0  0  0
  9 21  2  0  0  0  0
  9 29  1  0  0  0  0
 10 21  1  0  0  0  0
 10 35  1  0  0  0  0
 10 36  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 11 15  1  0  0  0  0
 12 14  1  0  0  0  0
 12 18  1  0  0  0  0
 12 22  1  0  0  0  0
 13 19  1  0  0  0  0
 13 23  1  0  0  0  0
 14 17  1  0  0  0  0
 14 24  1  0  0  0  0
 15 16  1  0  0  0  0
 15 25  1  0  0  0  0
 16 17  1  0  0  0  0
 16 26  1  0  0  0  0
 17 20  1  0  0  0  0
 18 27  1  0  0  0  0
 20 30  1  0  0  0  0
 20 31  1  0  0  0  0
M  CHG  1   9   1
M  END

$$$$
D04HYR
          11100900062D 1   1.00000     0.00000     0

 31 33  0     0  0            999 V2000
    2.7625   -4.7801    0.0000 N   0  0  3  0  0  0           0  0  0
    3.4708   -4.7801    0.0000 C   0  0  0  0  0  0           0  0  0
    2.4083   -4.1667    0.0000 C   0  0  0  0  0  0           0  0  0
    2.0541   -3.0708    0.0000 C   0  0  0  0  0  0           0  0  0
    1.4766   -3.4867    0.0000 N   0  0  0  0  0  0           0  0  0
    1.6958   -4.1667    0.0000 O   0  0  0  0  0  0           0  0  0
    2.6276   -3.4867    0.0000 C   0  0  0  0  0  0           0  0  0
    3.2375   -3.1250    0.0000 C   0  0  0  0  0  0           0  0  0
    3.8554   -3.4749    0.0000 C   0  0  0  0  0  0           0  0  0
    4.4648   -3.1137    0.0000 C   0  0  0  0  0  0           0  0  0
    4.4569   -2.4039    0.0000 C   0  0  0  0  0  0           0  0  0
    3.8344   -2.0568    0.0000 C   0  0  0  0  0  0           0  0  0
    3.2274   -2.4199    0.0000 C   0  0  0  0  0  0           0  0  0
    5.0657   -2.0418    0.0000 O   0  0  0  0  0  0           0  0  0
    2.4083   -5.3936    0.0000 C   0  0  0  0  0  0           0  0  0
    1.7000   -5.3936    0.0000 O   0  0  0  0  0  0           0  0  0
    2.7625   -6.0070    0.0000 C   0  0  0  0  0  0           0  0  0
    3.8250   -5.3936    0.0000 C   0  0  0  0  0  0           0  0  0
    3.8250   -4.1667    0.0000 O   0  0  0  0  0  0           0  0  0
    2.0564   -2.3644    0.0000 C   0  0  0  0  0  0           0  0  0
    2.6718   -2.0118    0.0000 C   0  0  0  0  0  0           0  0  0
    2.6733   -1.3042    0.0000 C   0  0  0  0  0  0           0  0  0
    2.0600   -0.9483    0.0000 C   0  0  0  0  0  0           0  0  0
    1.4439   -1.3052    0.0000 C   0  0  0  0  0  0           0  0  0
    1.4455   -2.0117    0.0000 C   0  0  0  0  0  0           0  0  0
    3.2875   -0.9513    0.0000 O   0  0  0  0  0  0           0  0  0
    3.9002   -1.3068    0.0000 C   0  0  0  0  0  0           0  0  0
    2.0603   -0.2399    0.0000 O   0  0  0  0  0  0           0  0  0
    2.6738    0.1140    0.0000 C   0  0  0  0  0  0           0  0  0
    0.8299   -0.9522    0.0000 O   0  0  0  0  0  0           0  0  0
    0.2171   -1.3075    0.0000 C   0  0  0  0  0  0           0  0  0
  1 15  1  0     0  0
  1  2  1  0     0  0
 15 16  2  0     0  0
  7  8  1  0     0  0
 15 17  1  0     0  0
  2 18  1  0     0  0
  8  9  2  0     0  0
  2 19  2  0     0  0
  1  3  1  0     0  0
  9 10  1  0     0  0
 20 21  2  0     0  0
  5  6  1  0     0  0
 21 22  1  0     0  0
 10 11  2  0     0  0
 22 23  2  0     0  0
  4  5  2  0     0  0
 23 24  1  0     0  0
 11 12  1  0     0  0
 24 25  2  0     0  0
 25 20  1  0     0  0
  4 20  1  0     0  0
  6  3  1  0     0  0
 22 26  1  0     0  0
 12 13  2  0     0  0
 26 27  1  0     0  0
 13  8  1  0     0  0
 23 28  1  0     0  0
  3  7  2  0     0  0
 28 29  1  0     0  0
 11 14  1  0     0  0
 24 30  1  0     0  0
  7  4  1  0     0  0
 30 31  1  0     0  0
M  END

$$$$
D04HZA
  -OEChem-10101305022D

 35 37  0     0  0  0  0  0  0999 V2000
   10.7263    1.4642    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.5600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    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
    4.5981   -0.0600    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    8.0622    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
    7.1962   -0.5600    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
    6.3301    0.9400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9561   -0.5947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.9561    1.4747    0.0000 C   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
    2.8660   -0.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.8622    0.9608    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
    2.0000   -0.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.7932    1.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   10.3979   -0.3929    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0000    2.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 18  1  0  0  0  0
  2 13  2  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 13  1  0  0  0  0
  5 15  1  0  0  0  0
  5 29  1  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 10  1  0  0  0  0
  7 14  1  0  0  0  0
  8  9  2  0  0  0  0
  8 11  1  0  0  0  0
  8 13  1  0  0  0  0
  9 24  1  0  0  0  0
 10 11  2  0  0  0  0
 10 25  1  0  0  0  0
 11 26  1  0  0  0  0
 12 17  2  0  0  0  0
 12 27  1  0  0  0  0
 14 18  2  0  0  0  0
 14 28  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
 16 23  1  0  0  0  0
 17 18  1  0  0  0  0
 17 30  1  0  0  0  0
 19 21  1  0  0  0  0
 19 31  1  0  0  0  0
 20 22  1  0  0  0  0
 20 32  1  0  0  0  0
 21 22  2  0  0  0  0
 21 33  1  0  0  0  0
 22 34  1  0  0  0  0
M  END

$$$$
D04HZW
  -OEChem-10101305022D

 22 23  0     0  0  0  0  0  0999 V2000
    3.0000   -1.0001    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -2.0001    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.0001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0000   -1.0001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7484   -1.0347    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    4.7368   -2.0346    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8660    0.4999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8660    1.4999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -0.0001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7600   -0.0347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    1.9999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1340    0.4999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7600    2.0346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1340    1.4999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6660    0.4791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6660    1.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5970    0.1899    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    2.6199    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7528    2.6546    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5970    1.8099    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2018    0.1670    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2018    1.8328    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  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
  5  6  3  0  0  0  0
  5 10  1  0  0  0  0
  7  8  2  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 13  1  0  0  0  0
  9 12  2  0  0  0  0
 10 15  2  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 17  1  0  0  0  0
 13 16  2  0  0  0  0
 13 19  1  0  0  0  0
 14 20  1  0  0  0  0
 15 16  1  0  0  0  0
 15 21  1  0  0  0  0
 16 22  1  0  0  0  0
M  CHG  2   2  -1   5   1
M  END

$$$$
D04IBH
  -OEChem-10101305022D

 31 33  0     0  0  0  0  0  0999 V2000
    7.2125   -2.2673    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    8.9942   -1.2568    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.7673    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.2673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.7327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.2673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.7673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.2327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.7327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2241   -1.2674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2241    0.8020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.7673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1301   -0.7535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1301    0.2881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.7673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.2673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    2.2673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.7673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8622   -0.7602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.3873    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.8527    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0611   -1.0427    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2169    1.4219    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6659    0.6002    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    2.0773    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.3527    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    2.8873    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    2.0773    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1701   -1.2983    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4003   -0.4523    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5542   -0.2221    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
  2 13  1  0  0  0  0
  2 19  1  0  0  0  0
  3 16  1  0  0  0  0
  3 18  2  0  0  0  0
  4  5  2  0  0  0  0
  4  7  1  0  0  0  0
  4 11  1  0  0  0  0
  5  8  1  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 12  1  0  0  0  0
  7 20  1  0  0  0  0
  8  9  2  0  0  0  0
  8 21  1  0  0  0  0
  9 22  1  0  0  0  0
 10 13  2  0  0  0  0
 11 14  2  0  0  0  0
 11 23  1  0  0  0  0
 12 15  1  0  0  0  0
 12 16  2  0  0  0  0
 13 14  1  0  0  0  0
 14 24  1  0  0  0  0
 15 17  2  0  0  0  0
 15 25  1  0  0  0  0
 16 26  1  0  0  0  0
 17 18  1  0  0  0  0
 17 27  1  0  0  0  0
 18 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
M  END

$$$$
D04ICJ
  -OEChem-10101305022D

 59 62  0     0  0  0  0  0  0999 V2000
    3.7320    1.7500    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
    4.5981    0.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.7500    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
    6.3301    3.2500    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
    6.3301    4.2500    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
    5.4641    4.7500    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
    5.4641   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.2500    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
    4.5981   -2.7500    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
    3.7320   -3.2500    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
    2.8660   -2.7500    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
    3.7320   -4.2500    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
    2.0000   -3.2500    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
    2.8660   -4.7500    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   -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
    6.0010    2.4400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5422    2.6674    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9407    3.3577    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
    4.3860    4.8326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9875    4.1423    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9407    4.1423    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5422    4.8326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8626    5.2250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0656    5.2250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1215   -1.1423    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5200   -1.8326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6762   -1.8326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0747   -1.1423    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5200    0.3326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1215   -0.3577    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0747   -0.3577    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6762    0.3326    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
    6.0010    1.4400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.1300    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
    4.2690   -4.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -2.1300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -2.9400    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
    2.8660   -5.3700    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
    1.4631   -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
  1 16  2  0  0  0  0
  2 11  1  0  0  0  0
  2 12  1  0  0  0  0
  2 15  1  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  5  1  0  0  0  0
  4 16  1  0  0  0  0
  4 49  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 29  1  0  0  0  0
  6  8  1  0  0  0  0
  6 30  1  0  0  0  0
  6 31  1  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 36  1  0  0  0  0
  8 37  1  0  0  0  0
  9 10  1  0  0  0  0
  9 34  1  0  0  0  0
  9 35  1  0  0  0  0
 10 38  1  0  0  0  0
 10 39  1  0  0  0  0
 11 13  1  0  0  0  0
 11 40  1  0  0  0  0
 11 41  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 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 17  1  0  0  0  0
 15 18  1  0  0  0  0
 15 48  1  0  0  0  0
 17 19  2  0  0  0  0
 17 21  1  0  0  0  0
 18 20  2  0  0  0  0
 18 22  1  0  0  0  0
 19 23  1  0  0  0  0
 19 50  1  0  0  0  0
 20 24  1  0  0  0  0
 20 51  1  0  0  0  0
 21 25  2  0  0  0  0
 21 52  1  0  0  0  0
 22 26  2  0  0  0  0
 22 53  1  0  0  0  0
 23 27  2  0  0  0  0
 23 54  1  0  0  0  0
 24 28  2  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
 26 28  1  0  0  0  0
 26 57  1  0  0  0  0
 27 58  1  0  0  0  0
 28 59  1  0  0  0  0
M  END

$$$$
D04ICS
  -OEChem-10191522372D

 79 79  0     1  0  0  0  0  0999 V2000
    4.2690   -5.0950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -5.0950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -8.0950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -7.0950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -7.0950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -4.0950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -2.0950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331   -4.0950    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -7.0950    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.4030   -6.5950    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.1350   -6.5950    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.4030   -5.5950    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.1350   -5.5950    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.5369   -5.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -4.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -3.5950    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.3312    3.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3312    2.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1972    3.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651    1.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -2.5950    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.1972    4.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651    0.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0632    5.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991    0.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0632    6.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991   -0.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331   -2.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END

$$$$
D04IEK
  -OEChem-10101305032D

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M  END

$$$$
D04IEW
  -OEChem-04152109042D

 53 58  0     1  0  0  0  0  0999 V2000
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 29 52  1  0  0  0  0
M  END

$$$$
D04IFV
  -OEChem-10101305022D

 25 26  0     0  0  0  0  0  0999 V2000
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 13 21  1  0  0  0  0
 14 22  1  0  0  0  0
 14 23  1  0  0  0  0
 14 24  1  0  0  0  0
M  END

$$$$
D04IHL
  -OEChem-10101305022D

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 38 39  1  0  0  0  0
 38 75  1  0  0  0  0
M  END

$$$$
D04IIB
  -OEChem-10101305022D

 78 81  0     1  0  0  0  0  0999 V2000
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M  END

$$$$
D04IIK
  -OEChem-04152110122D

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M  END

$$$$
D04IJB
  -OEChem-10191521202D

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 35 37  2  0  0  0  0
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 36 39  2  0  0  0  0
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 38 40  1  0  0  0  0
 39 78  1  0  0  0  0
 40 41  1  0  0  0  0
 40 79  1  0  0  0  0
 40 80  1  0  0  0  0
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 41 43  1  0  0  0  0
 42 44  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
 44 46  2  0  0  0  0
 45 46  1  0  0  0  0
 47 84  1  0  0  0  0
 47 85  1  0  0  0  0
 47 86  1  0  0  0  0
M  ISO  1   1 125
M  END

$$$$
D04IJE
  -OEChem-10101305022D

 33 36  0     0  0  0  0  0  0999 V2000
    7.1254    2.1618    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0274   -1.8770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0274   -1.8770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7183   -0.9260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3364   -0.9260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5274   -0.3382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3518   -0.6937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7029   -0.6937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3424   -2.6618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7123   -2.6618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5274    0.6618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.4624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.3219   -2.4531    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7328   -2.4531    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3934    1.1618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3934    2.1618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2594    0.6618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2594    2.6618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1254    1.1618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.5139   -3.2492    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5408   -3.2492    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9904    0.9718    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6607   -1.3312    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3940   -1.3312    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    1.9088   -2.9154    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8564    2.4718    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    6.2594    3.2818    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6624    0.8518    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 19  2  0  0  0  0
  1 20  1  0  0  0  0
  2  3  1  0  0  0  0
  2  5  1  0  0  0  0
  2 10  2  0  0  0  0
  3  4  1  0  0  0  0
  3  9  2  0  0  0  0
  4  6  1  0  0  0  0
  4  8  2  0  0  0  0
  5  6  1  0  0  0  0
  5  7  2  0  0  0  0
  6 11  2  0  0  0  0
  7 13  1  0  0  0  0
  7 21  1  0  0  0  0
  8 12  1  0  0  0  0
  8 22  1  0  0  0  0
  9 14  1  0  0  0  0
  9 24  1  0  0  0  0
 10 15  1  0  0  0  0
 10 23  1  0  0  0  0
 11 16  1  0  0  0  0
 11 25  1  0  0  0  0
 12 14  2  0  0  0  0
 12 27  1  0  0  0  0
 13 15  2  0  0  0  0
 13 26  1  0  0  0  0
 14 29  1  0  0  0  0
 15 28  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 30  1  0  0  0  0
 18 20  2  0  0  0  0
 18 31  1  0  0  0  0
 19 32  1  0  0  0  0
 20 33  1  0  0  0  0
M  END

$$$$
D04IKS
  -OEChem-10101305022D

 33 35  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
    6.3301    1.2327    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.9561   -0.3020    0.0000 N   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
    6.3301    0.2327    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
    5.4641   -0.2673    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
    8.9561    1.7673    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
    9.8622    0.2119    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
    9.8622    1.2535    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
   10.7263   -0.2915    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
    8.9490    2.3873    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
   10.3979    1.5656    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
   10.4142   -0.8272    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2620   -0.6035    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0383    0.2443    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  5  2  0  0  0  0
  2 10  1  0  0  0  0
  3  4  1  0  0  0  0
  3 11  2  0  0  0  0
  4  6  1  0  0  0  0
  4  8  2  0  0  0  0
  5  7  1  0  0  0  0
  5  8  1  0  0  0  0
  6  9  1  0  0  0  0
  6 10  2  0  0  0  0
  7 12  2  0  0  0  0
  7 13  1  0  0  0  0
  8 20  1  0  0  0  0
  9 14  2  0  0  0  0
  9 21  1  0  0  0  0
 10 22  1  0  0  0  0
 11 14  1  0  0  0  0
 11 18  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
 14 25  1  0  0  0  0
 15 17  2  0  0  0  0
 16 17  1  0  0  0  0
 16 26  1  0  0  0  0
 17 27  1  0  0  0  0
 18 28  1  0  0  0  0
 18 29  1  0  0  0  0
 18 30  1  0  0  0  0
 19 31  1  0  0  0  0
 19 32  1  0  0  0  0
 19 33  1  0  0  0  0
M  END

$$$$
D04ILS
  -OEChem-10101305022D

 26 27  0     0  0  0  0  0  0999 V2000
    2.0000   -0.7500    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    9.7942   -1.2500    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -1.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -1.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    2.7500    0.0000 N   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
    5.4641   -0.7500    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
    4.5981   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -0.7500    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
    3.7320   -2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    0.7500    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
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    2.3291   -2.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6592    0.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651    0.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  0  0  0  0
  2 17  1  0  0  0  0
  3  7  1  0  0  0  0
  3 10  1  0  0  0  0
  4 10  2  0  0  0  0
  4 17  1  0  0  0  0
  5 18  3  0  0  0  0
  6  7  1  0  0  0  0
  6  8  2  0  0  0  0
  6  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 12  2  0  0  0  0
  9 22  1  0  0  0  0
 10 14  1  0  0  0  0
 11 13  2  0  0  0  0
 12 13  1  0  0  0  0
 12 23  1  0  0  0  0
 13 24  1  0  0  0  0
 14 15  2  0  0  0  0
 14 25  1  0  0  0  0
 15 16  1  0  0  0  0
 15 18  1  0  0  0  0
 16 17  2  0  0  0  0
 16 26  1  0  0  0  0
M  END

$$$$
D04IMY
  -OEChem-04152110152D

 36 39  0     0  0  0  0  0  0999 V2000
   10.8833    1.2316    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8833   -0.3779    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3515    2.3117    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8903    0.5904    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9836   -1.1891    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3684   -0.0677    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.2050    0.9268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9371    0.9268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9371   -0.0732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0710    1.4268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3390    1.4268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4730    0.9268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.3903   -0.2756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4669    0.4268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5594    1.3336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9890   -1.2937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4013   -0.4846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5823   -2.2072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4067   -0.5892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5878   -2.3117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.5027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0710    2.0468    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   11.9278    0.0121    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1  8  1  0  0  0  0
  1 16  1  0  0  0  0
  2  9  1  0  0  0  0
  2 16  1  0  0  0  0
  3 17  2  0  0  0  0
  4 15  1  0  0  0  0
  4 17  1  0  0  0  0
  4 30  1  0  0  0  0
  5 15  1  0  0  0  0
  5 18  1  0  0  0  0
  5 31  1  0  0  0  0
  6 12  1  0  0  0  0
  6 15  2  0  0  0  0
  7 10  2  0  0  0  0
  7 11  1  0  0  0  0
  7 13  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
  9 14  1  0  0  0  0
 10 24  1  0  0  0  0
 11 12  2  0  0  0  0
 11 25  1  0  0  0  0
 12 17  1  0  0  0  0
 13 14  2  0  0  0  0
 13 26  1  0  0  0  0
 14 27  1  0  0  0  0
 16 28  1  0  0  0  0
 16 29  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 32  1  0  0  0  0
 20 22  2  0  0  0  0
 20 33  1  0  0  0  0
 21 23  2  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
M  END

$$$$
D04IRR
  -OEChem-04152109062D

100102  0     1  0  0  0  0  0999 V2000
    8.1205    4.4361    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4347    3.1537    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6989    6.7496    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1385    6.4628    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 46 85  1  0  0  0  0
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 50 53  1  0  0  0  0
 50 87  1  0  0  0  0
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 52 90  1  0  0  0  0
 53 91  1  0  0  0  0
 54 92  1  0  0  0  0
M  END

$$$$
D04ISG
  -OEChem-10101305022D

 31 33  0     0  0  0  0  0  0999 V2000
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  2 19  1  0  0  0  0
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  4  5  2  0  0  0  0
  4  7  1  0  0  0  0
  4 10  1  0  0  0  0
  5  8  1  0  0  0  0
  5 12  1  0  0  0  0
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 10 13  2  0  0  0  0
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 18 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
M  END

$$$$
D04IUW
  -OEChem-10101305022D

269280  0     1  0  0  0  0  0999 V2000
   11.3502   -4.3175    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   10.6031   -4.1378    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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   18.8357    2.8087    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END

$$$$
D04IWB
  -OEChem-10191521312D

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  5 24  1  0  0  0  0
 21  6  1  1  0  0  0
  6 36  1  0  0  0  0
 22  7  1  1  0  0  0
  7 37  1  0  0  0  0
  8 25  1  0  0  0  0
 10 41  1  0  0  0  0
 12 29  2  0  0  0  0
 14 42  1  0  0  0  0
 16 43  1  0  0  0  0
 17 44  1  0  0  0  0
 24 19  1  6  0  0  0
 19 26  1  0  0  0  0
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 20 39  1  0  0  0  0
 21 22  1  0  0  0  0
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 21 30  1  0  0  0  0
 22 24  1  0  0  0  0
 22 31  1  0  0  0  0
 23 25  1  6  0  0  0
 23 32  1  0  0  0  0
 24 33  1  0  0  0  0
 25 34  1  0  0  0  0
 25 35  1  0  0  0  0
 27 28  2  0  0  0  0
 27 38  1  0  0  0  0
 28 29  1  0  0  0  0
 28 40  1  0  0  0  0
M  END

$$$$
D04IXN
  -OEChem-10101305022D

 36 39  0     0  0  0  0  0  0999 V2000
    5.5321    3.7673    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.6660   -3.7327    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321   -0.2327    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000   -0.2327    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660   -1.7327    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000   -2.2327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.5321   -3.2327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000   -3.2327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4260   -1.6980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9061   -1.6980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  5 14  1  0  0  0  0
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  6 11  2  0  0  0  0
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  7 10  2  0  0  0  0
  8 12  2  0  0  0  0
  9 13  2  0  0  0  0
 10 15  1  0  0  0  0
 10 26  1  0  0  0  0
 11 16  1  0  0  0  0
 11 25  1  0  0  0  0
 12 18  1  0  0  0  0
 12 28  1  0  0  0  0
 13 17  1  0  0  0  0
 13 27  1  0  0  0  0
 15 18  2  0  0  0  0
 15 30  1  0  0  0  0
 16 17  2  0  0  0  0
 16 29  1  0  0  0  0
 17 31  1  0  0  0  0
 18 32  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
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 20 33  1  0  0  0  0
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 21 34  1  0  0  0  0
 22 24  2  0  0  0  0
 22 35  1  0  0  0  0
 23 24  1  0  0  0  0
 23 36  1  0  0  0  0
M  END

$$$$
D04IZU
  -OEChem-10101305022D

 35 36  0     0  0  0  0  0  0999 V2000
    5.4641    0.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942    2.7500    0.0000 N   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
    4.5981   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.7500    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
    6.3301   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.2500    0.0000 C   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
    6.3301   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    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
    8.0622    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  6  1  0  0  0  0
  1 13  1  0  0  0  0
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  2 10  1  0  0  0  0
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  4 20  1  0  0  0  0
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  5  6  1  0  0  0  0
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  6  8  2  0  0  0  0
  7 11  1  0  0  0  0
  7 22  1  0  0  0  0
  8 12  1  0  0  0  0
  8 23  1  0  0  0  0
  9 24  1  0  0  0  0
  9 28  1  0  0  0  0
  9 29  1  0  0  0  0
 10 25  1  0  0  0  0
 10 26  1  0  0  0  0
 10 27  1  0  0  0  0
 11 12  2  0  0  0  0
 11 30  1  0  0  0  0
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 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
 14 32  1  0  0  0  0
 15 17  2  0  0  0  0
 15 33  1  0  0  0  0
 16 18  2  0  0  0  0
 16 34  1  0  0  0  0
 17 18  1  0  0  0  0
 17 35  1  0  0  0  0
 18 19  1  0  0  0  0
M  END

$$$$
D04JAX
  -OEChem-10101305022D

 47 50  0     0  0  0  0  0  0999 V2000
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    3.7320    1.9827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1 15  1  0  0  0  0
  1 18  1  0  0  0  0
  2 18  2  0  0  0  0
  3  5  1  0  0  0  0
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 10 12  1  0  0  0  0
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 11 15  2  0  0  0  0
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 13 34  1  0  0  0  0
 14 21  1  0  0  0  0
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 15 22  1  0  0  0  0
 16 20  2  0  0  0  0
 16 36  1  0  0  0  0
 17 23  1  0  0  0  0
 17 37  1  0  0  0  0
 19 38  1  0  0  0  0
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 20 24  1  0  0  0  0
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 21 23  2  0  0  0  0
 21 41  1  0  0  0  0
 22 24  2  0  0  0  0
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 23 43  1  0  0  0  0
 24 44  1  0  0  0  0
 25 45  1  0  0  0  0
 25 46  1  0  0  0  0
 25 47  1  0  0  0  0
M  END

$$$$
D04JCJ
  -OEChem-10101305022D

 47 49  0     0  0  0  0  0  0999 V2000
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   10.3312    0.7500    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
    9.4651    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9292    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7953    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END

$$$$
D04JCK
  -OEChem-04152109082D

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M  END

$$$$
D04JCW
  -OEChem-10101305022D

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 24 49  1  0  0  0  0
 25 26  1  0  0  0  0
 25 50  1  0  0  0  0
 26 51  1  0  0  0  0
M  END

$$$$
D04JDQ
  -OEChem-10101305022D

 38 41  0     0  0  0  0  0  0999 V2000
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 22 23  2  0  0  0  0
 22 35  1  0  0  0  0
 23 36  1  0  0  0  0
M  END

$$$$
D04JFB
  -OEChem-02061503572D

 58 57  0     1  0  0  0  0  0999 V2000
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 25 55  1  0  0  0  0
 25 56  1  0  0  0  0
 25 57  1  0  0  0  0
M  END

$$$$
D04JFL
  -OEChem-10101305022D

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  5 14  1  0  0  0  0
  5 18  1  0  0  0  0
  6  7  1  0  0  0  0
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  7 12  1  0  0  0  0
  8 13  1  0  0  0  0
  8 26  1  6  0  0  0
  9 15  1  0  0  0  0
  9 27  1  1  0  0  0
 10 14  1  0  0  0  0
 10 28  1  0  0  0  0
 10 29  1  0  0  0  0
 11 17  2  0  0  0  0
 11 19  1  0  0  0  0
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 12 30  1  0  0  0  0
 12 31  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
 15 16  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 23  1  0  0  0  0
 18 20  1  0  0  0  0
 18 39  1  0  0  0  0
 18 40  1  0  0  0  0
 19 24  2  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
 20 41  1  0  0  0  0
 21 22  1  0  0  0  0
 21 45  1  0  0  0  0
 21 46  1  0  0  0  0
 22 43  1  0  0  0  0
 22 44  1  0  0  0  0
 23 25  2  0  0  0  0
 23 47  1  0  0  0  0
 24 25  1  0  0  0  0
 25 49  1  0  0  0  0
M  END

$$$$
D04JGC
  -OEChem-10101305032D

 43 44  0     1  0  0  0  0  0999 V2000
    2.8660   -0.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -4.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -4.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    4.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.0000    0.0000 C   0  0  1  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
    4.5981   -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  1  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
    3.7320   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    3.5000    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
    4.5981   -2.5000    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
    2.8660   -3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    2.5000    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    3.5000    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
    5.4641    0.3800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2520    2.5826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8535    1.8923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8101   -1.0826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2087   -0.3923    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
    3.7320   -0.3800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0201   -0.0369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    0.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6401    1.0369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    1.3800    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
    2.3291   -2.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -2.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991    2.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    4.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -4.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -4.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -4.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    4.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  9  1  1  1  0  0  0
  1 37  1  0  0  0  0
  2 17  1  0  0  0  0
  2 41  1  0  0  0  0
  3 18  1  0  0  0  0
  3 42  1  0  0  0  0
  4 21  1  0  0  0  0
  4 43  1  0  0  0  0
  6  5  1  1  0  0  0
  5  8  1  0  0  0  0
  5 28  1  0  0  0  0
  6  7  1  0  0  0  0
  6 10  1  0  0  0  0
  6 23  1  0  0  0  0
  7 11  1  0  0  0  0
  7 24  1  0  0  0  0
  7 25  1  0  0  0  0
  8  9  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 29  1  0  0  0  0
 10 30  1  0  0  0  0
 10 31  1  0  0  0  0
 10 32  1  0  0  0  0
 11 13  2  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 19  1  0  0  0  0
 13 33  1  0  0  0  0
 14 20  2  0  0  0  0
 14 34  1  0  0  0  0
 15 18  1  0  0  0  0
 15 35  1  0  0  0  0
 16 17  2  0  0  0  0
 16 36  1  0  0  0  0
 17 22  1  0  0  0  0
 18 22  2  0  0  0  0
 19 21  2  0  0  0  0
 19 38  1  0  0  0  0
 20 21  1  0  0  0  0
 20 39  1  0  0  0  0
 22 40  1  0  0  0  0
M  END

$$$$
D04JGZ
  -OEChem-10101305022D

 44 47  0     0  0  0  0  0  0999 V2000
    2.0000   -0.2278    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.7722    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    3.7722    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.7722    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.2722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.2278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.7278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.7722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.2722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    1.2722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.2722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    2.2722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    2.7722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2241    0.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2241    2.8068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1301    1.2514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1301    2.2930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2125   -0.2624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0727   -0.7724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0611   -1.7723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1894   -2.2623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9213   -2.2823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1778   -3.2622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.0380   -3.7722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9441   -0.8104    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3426   -0.1202    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2646    1.7471    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4675    1.7471    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    1.7880    1.3548    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    8.6132   -0.4686    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6561   -1.9461    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4618   -1.9785    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6373   -3.5660    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4431   -3.5984    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0308   -4.3922    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  9  1  0  0  0  0
  2 10  1  0  0  0  0
  3 13  2  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4  9  1  0  0  0  0
  5  8  1  0  0  0  0
  5 28  1  0  0  0  0
  5 29  1  0  0  0  0
  6  7  1  0  0  0  0
  6 26  1  0  0  0  0
  6 27  1  0  0  0  0
  7 30  1  0  0  0  0
  7 31  1  0  0  0  0
  8 32  1  0  0  0  0
  8 33  1  0  0  0  0
  9 11  2  0  0  0  0
 10 12  1  0  0  0  0
 10 14  2  0  0  0  0
 11 13  1  0  0  0  0
 11 34  1  0  0  0  0
 12 13  1  0  0  0  0
 12 15  2  0  0  0  0
 14 16  1  0  0  0  0
 14 18  1  0  0  0  0
 15 17  1  0  0  0  0
 15 35  1  0  0  0  0
 16 17  2  0  0  0  0
 16 36  1  0  0  0  0
 17 37  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
 19 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 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
 25 44  1  0  0  0  0
M  END

$$$$
D04JIN
  -OEChem-10101305022D

 20 20  0     0  0  0  0  0  0999 V2000
    2.0000   -0.6550    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.3450    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.7320    0.3450    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.7320    0.3450    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.7320    1.3450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7320    1.3450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.3450    0.0000 N   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
    3.7320   -0.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.1550    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
    3.7320   -2.6550    0.0000 C   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
    2.3291   -2.4650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -2.4650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    2.6550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951    2.6550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.2750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  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  8  1  0  0  0  0
  3  8  1  0  0  0  0
  4  8  1  0  0  0  0
  7 18  1  0  0  0  0
  7 19  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  2  0  0  0  0
 10 12  2  0  0  0  0
 11 13  1  0  0  0  0
 11 15  1  0  0  0  0
 12 14  1  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 20  1  0  0  0  0
M  END

$$$$
D04JIR
  -OEChem-10101305032D

 18 19  0     0  0  0  0  0  0999 V2000
    4.6783   -1.0821    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783    0.5274    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.2774    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.2226    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.7226    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.7774    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.2226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2619   -0.2774    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.7226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9889   -2.0326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.7774    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8819   -0.2774    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3996   -2.2252    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1815   -2.6220    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5783   -1.8400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -1.0874    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291    2.0326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    2.0326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  8  1  0  0  0  0
  1 10  1  0  0  0  0
  2  7  1  0  0  0  0
  2  8  2  0  0  0  0
  3  6  2  0  0  0  0
  3 11  1  0  0  0  0
  4  9  1  0  0  0  0
  4 11  2  0  0  0  0
  5  9  1  0  0  0  0
  5 17  1  0  0  0  0
  5 18  1  0  0  0  0
  6  7  1  0  0  0  0
  7  9  2  0  0  0  0
  8 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 16  1  0  0  0  0
M  END

$$$$
D04JJL
  -OEChem-10101305022D

 41 42  0     0  0  0  0  0  0999 V2000
    2.8660    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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 10 12  2  0  0  0  0
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 12 28  1  0  0  0  0
 13 16  2  0  0  0  0
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 16 32  1  0  0  0  0
 17 33  1  0  0  0  0
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 18 35  1  0  0  0  0
 18 36  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
M  END

$$$$
D04JKL
  -OEChem-10191521372D

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 10 13  1  0  0  0  0
 11 15  2  0  0  0  0
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 13 22  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 25  1  0  0  0  0
M  END

$$$$
D04JNZ
  -OEChem-04152110192D

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 11  2  1  1  0  0  0
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 18  3  1  6  0  0  0
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 28 55  1  0  0  0  0
 28 56  1  0  0  0  0
 28 57  1  0  0  0  0
M  END

$$$$
D04JOG
  -OEChem-10191522472D

 61 64  0     1  0  0  0  0  0999 V2000
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   14.9695   -3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0254    2.8326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.6269    2.1423    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.3155    2.1674    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.7141    2.8577    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1719    1.7250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3748    1.7250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   10.2408    0.2751    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0379    0.2751    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  2 10  1  0  0  0  0
  2 14  1  0  0  0  0
  3 16  1  0  0  0  0
  3 19  1  0  0  0  0
  4 21  1  0  0  0  0
  4 29  1  0  0  0  0
  5 24  2  0  0  0  0
  6 28  2  0  0  0  0
  7 24  1  0  0  0  0
  7 28  1  0  0  0  0
  7 56  1  0  0  0  0
  8  9  1  0  0  0  0
  8 11  1  0  0  0  0
  8 35  1  0  0  0  0
  8 36  1  0  0  0  0
  9 10  2  0  0  0  0
  9 17  1  0  0  0  0
 10 18  1  0  0  0  0
 11 22  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 16  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
 13 24  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 20  2  0  0  0  0
 15 25  1  0  0  0  0
 16 44  1  0  0  0  0
 16 45  1  0  0  0  0
 17 21  2  0  0  0  0
 17 46  1  0  0  0  0
 18 23  2  0  0  0  0
 18 47  1  0  0  0  0
 19 20  1  0  0  0  0
 19 26  2  0  0  0  0
 20 48  1  0  0  0  0
 21 23  1  0  0  0  0
 22 49  1  0  0  0  0
 22 50  1  0  0  0  0
 22 51  1  0  0  0  0
 23 52  1  0  0  0  0
 25 27  2  0  0  0  0
 25 53  1  0  0  0  0
 26 27  1  0  0  0  0
 26 54  1  0  0  0  0
 27 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 57  1  0  0  0  0
 31 33  2  0  0  0  0
 31 58  1  0  0  0  0
 32 34  2  0  0  0  0
 32 59  1  0  0  0  0
 33 34  1  0  0  0  0
 33 60  1  0  0  0  0
 34 61  1  0  0  0  0
M  END

$$$$
D04JOV
  -OEChem-04152110352D

 37 39  0     1  0  0  0  0  0999 V2000
    5.8917    3.0576    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.2855   -0.5358    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2892    1.6398    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -4.0092    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9395    0.5561    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    5.2152   -2.8140    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -1.0092    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -2.5092    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    6.1743    4.1998    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0000   -2.8192    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 14  1  0  0  0  0
  1 20  1  0  0  0  0
 11  2  1  1  0  0  0
  2 30  1  0  0  0  0
 12  3  1  6  0  0  0
  3 32  1  0  0  0  0
  4 18  2  0  0  0  0
  5  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 23  1  0  0  0  0
  5 24  1  0  0  0  0
  6 16  1  0  0  0  0
  6 17  2  0  0  0  0
  7 15  1  0  0  0  0
  7 19  2  0  0  0  0
  8 18  1  0  0  0  0
  8 19  1  0  0  0  0
  8 37  1  0  0  0  0
  9 11  1  0  0  0  0
  9 13  1  6  0  0  0
  9 21  1  0  0  0  0
 10 12  1  0  0  0  0
 10 14  1  1  0  0  0
 10 22  1  0  0  0  0
 11 12  1  0  0  0  0
 11 25  1  0  0  0  0
 12 26  1  0  0  0  0
 13 15  1  0  0  0  0
 13 16  2  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
 15 29  1  0  0  0  0
 16 31  1  0  0  0  0
 17 18  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  CHG  1   5   1
M  END

$$$$
D04JPQ
  -OEChem-10101305022D

136139  0     1  0  0  0  0  0999 V2000
    5.0755    0.5016    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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M  END

$$$$
D04JSE
  -OEChem-10191522582D

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M  END

$$$$
D04JSS
  -OEChem-04152122262D

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    5.9589   -0.0725    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.2839    2.0153    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    5.0929    0.4275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4230    1.9275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5929    2.9664    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9019    2.0153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9589   -1.0725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6910   -0.0725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2890    1.4275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2890    0.4275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3328    1.7063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0929   -1.5725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1793   -1.1658    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0102   -2.7749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7580   -3.3413    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 16  2  0  0  0  0
  3 21  2  0  0  0  0
  4 23  2  0  0  0  0
  5 24  2  0  0  0  0
  6 14  1  0  0  0  0
  6 16  1  0  0  0  0
  6 19  1  0  0  0  0
 13  7  1  1  0  0  0
  7 21  1  0  0  0  0
  7 41  1  0  0  0  0
  8 12  1  0  0  0  0
  8 23  1  0  0  0  0
  8 44  1  0  0  0  0
  9 25  1  0  0  0  0
  9 27  1  0  0  0  0
  9 45  1  0  0  0  0
 10 24  1  0  0  0  0
 10 47  1  0  0  0  0
 10 48  1  0  0  0  0
 11 26  1  0  0  0  0
 11 27  2  0  0  0  0
 12 15  1  0  0  0  0
 12 21  1  6  0  0  0
 12 29  1  0  0  0  0
 13 16  1  0  0  0  0
 13 20  1  0  0  0  0
 13 28  1  0  0  0  0
 14 18  1  0  0  0  0
 14 24  1  1  0  0  0
 14 30  1  0  0  0  0
 15 17  1  0  0  0  0
 15 31  1  0  0  0  0
 15 32  1  0  0  0  0
 17 22  1  0  0  0  0
 17 33  1  0  0  0  0
 17 34  1  0  0  0  0
 18 35  1  0  0  0  0
 18 36  1  0  0  0  0
 19 37  1  0  0  0  0
 19 38  1  0  0  0  0
 20 25  1  0  0  0  0
 20 39  1  0  0  0  0
 20 40  1  0  0  0  0
 22 23  1  0  0  0  0
 22 42  1  0  0  0  0
 22 43  1  0  0  0  0
 25 26  2  0  0  0  0
 26 46  1  0  0  0  0
 27 49  1  0  0  0  0
M  END

$$$$
D04JTK
  -OEChem-10101305032D

 40 43  0     0  0  0  0  0  0999 V2000
    2.4131   -0.4176    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2638    2.2389    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.1355   -0.6217    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7364    1.1146    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7638    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7638    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0728    1.6511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4548    1.6511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4487   -0.0847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4692    0.1240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0882    1.8833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0788   -0.0847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7911    1.1146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4393    1.8833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0583    0.1240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1144   -0.4176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7807   -1.1633    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3920   -0.6217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4680   -2.1132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7596   -0.9592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1343   -2.8589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4259   -1.7049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1132   -2.6547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2638    2.8589    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2503   -0.6721    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2730    2.4752    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2772   -0.6721    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3971    1.2459    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2546    2.4752    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9416   -1.2106    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6415   -0.0911    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8844    0.1582    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1620   -1.1975    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9191   -0.9482    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8611   -2.2397    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9535   -0.3702    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9404   -3.4478    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.0329   -1.5783    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.5263   -3.1171    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.8799    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 18  1  0  0  0  0
  1 40  1  0  0  0  0
  2  7  1  0  0  0  0
  2  8  1  0  0  0  0
  2 24  1  0  0  0  0
  3 10  1  0  0  0  0
  3 16  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  6  1  0  0  0  0
  5  7  2  0  0  0  0
  5  9  1  0  0  0  0
  6  8  2  0  0  0  0
  6 12  1  0  0  0  0
  7 11  1  0  0  0  0
  8 14  1  0  0  0  0
  9 10  2  0  0  0  0
  9 25  1  0  0  0  0
 10 13  1  0  0  0  0
 11 13  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 28  1  0  0  0  0
 14 29  1  0  0  0  0
 15 18  1  0  0  0  0
 16 17  1  0  0  0  0
 16 31  1  0  0  0  0
 16 32  1  0  0  0  0
 17 19  2  0  0  0  0
 17 20  1  0  0  0  0
 18 33  1  0  0  0  0
 18 34  1  0  0  0  0
 19 21  1  0  0  0  0
 19 35  1  0  0  0  0
 20 22  2  0  0  0  0
 20 36  1  0  0  0  0
 21 23  2  0  0  0  0
 21 37  1  0  0  0  0
 22 23  1  0  0  0  0
 22 38  1  0  0  0  0
 23 39  1  0  0  0  0
M  END

$$$$
D04JTY
  -OEChem-10101305022D

 28 28  0     1  0  0  0  0  0999 V2000
    4.5691   -0.1706    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.1384    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8479   -1.9307    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7601    0.4172    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.9511   -0.1706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1723    1.2262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2601   -1.1217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3479    1.2262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2601   -1.1217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3424    1.1217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6723   -1.9307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7491    0.2081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9302    1.9307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9247    1.8262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6739    1.5906    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8079    1.7278    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6707    0.8618    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0957    1.7926    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1707   -1.5663    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3079   -2.4323    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1739   -2.2951    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1827   -0.0441    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0013   -0.3583    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3155    0.4603    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6780    2.4971    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4645   -1.8659    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1769    1.2598    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2891    2.3277    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  1  9  1  0  0  0  0
  2  5  2  0  0  0  0
  3  9  1  0  0  0  0
  3 26  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  6  0  0  0
  4  8  1  0  0  0  0
  5  7  1  0  0  0  0
  6 15  1  0  0  0  0
  6 16  1  0  0  0  0
  6 17  1  0  0  0  0
  7  9  2  0  0  0  0
  7 11  1  0  0  0  0
  8 10  2  0  0  0  0
  8 18  1  0  0  0  0
 10 12  1  0  0  0  0
 10 13  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 22  1  0  0  0  0
 12 23  1  0  0  0  0
 12 24  1  0  0  0  0
 13 14  2  0  0  0  0
 13 25  1  0  0  0  0
 14 27  1  0  0  0  0
 14 28  1  0  0  0  0
M  END

$$$$
D04JUH
  -OEChem-10101305022D

 29 31  0     0  0  0  0  0  0999 V2000
    5.4641    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -3.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    3.0000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.7320    3.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    2.5000    0.0000 N   0  3  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   -1.5000    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
    6.3301   -0.5000    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
    5.4641   -2.0000    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
    7.2241   -2.0347    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
    7.2241    0.0347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1301   -1.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8660   -1.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2169   -2.6546    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    1.4631   -0.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    1.4631    1.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  9  1  0  0  0  0
  2 11  2  0  0  0  0
  3  5  1  0  0  0  0
  4  5  2  0  0  0  0
  5 16  1  0  0  0  0
  6  8  1  0  0  0  0
  6 10  2  0  0  0  0
  7  9  1  0  0  0  0
  7 11  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 15  2  0  0  0  0
 10 11  1  0  0  0  0
 10 21  1  0  0  0  0
 12 16  1  0  0  0  0
 12 22  1  0  0  0  0
 13 17  1  0  0  0  0
 13 24  1  0  0  0  0
 14 18  2  0  0  0  0
 14 23  1  0  0  0  0
 15 19  1  0  0  0  0
 15 25  1  0  0  0  0
 16 20  2  0  0  0  0
 17 19  2  0  0  0  0
 17 26  1  0  0  0  0
 18 20  1  0  0  0  0
 18 27  1  0  0  0  0
 19 28  1  0  0  0  0
 20 29  1  0  0  0  0
M  CHG  2   3  -1   5   1
M  END

$$$$
D04JUJ
  -OEChem-10101305032D

 26 27  0     1  0  0  0  0  0999 V2000
    2.0000   -0.7927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.2073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1 25  1  0  0  0  0
  2 13  1  0  0  0  0
  2 26  1  0  0  0  0
  3  4  1  0  0  0  0
  3  8  1  0  0  0  0
  3 19  1  0  0  0  0
  4  5  1  0  0  0  0
  4  9  1  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  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6 15  1  0  0  0  0
  6 16  1  0  0  0  0
  7 11  2  0  0  0  0
  8 17  1  0  0  0  0
  8 18  1  0  0  0  0
  9 20  1  0  0  0  0
  9 21  1  0  0  0  0
  9 22  1  0  0  0  0
 10 12  1  0  0  0  0
 10 23  1  0  0  0  0
 11 13  1  0  0  0  0
 11 24  1  0  0  0  0
 12 13  2  0  0  0  0
M  END

$$$$
D04JVA
  -OEChem-10101305022D

 31 30  0     0  0  0  0  0  0999 V2000
    7.1962   -0.1830    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603    0.8170    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   10.2942   -0.5490    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    9.2942    1.1830    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.6962    0.6830    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6962   -1.0490    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282   -1.1830    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.1830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.6830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.6830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.1830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    0.3170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.6830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282   -0.1830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.1830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942    0.3170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8626    0.2919    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    5.9316   -1.1580    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    1.6900   -0.7199    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  9  1  0  0  0  0
  1 12  1  0  0  0  0
  2 16  1  0  0  0  0
  3 16  1  0  0  0  0
  4 16  1  0  0  0  0
  7 14  2  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 17  1  0  0  0  0
  8 18  1  0  0  0  0
  9 19  1  0  0  0  0
  9 20  1  0  0  0  0
 10 11  1  0  0  0  0
 10 21  1  0  0  0  0
 10 22  1  0  0  0  0
 11 13  1  0  0  0  0
 11 23  1  0  0  0  0
 11 24  1  0  0  0  0
 12 14  1  0  0  0  0
 12 25  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
 13 28  1  0  0  0  0
 14 16  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
M  END

$$$$
D04JWS
  -OEChem-10101305022D

 46 49  0     0  0  0  0  0  0999 V2000
    4.6660   -4.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321    4.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000    0.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981   -0.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981   -4.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9340    2.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641   -2.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000    4.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000   -1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981    2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000   -2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321   -1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321    3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.6660    2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321   -2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9061   -1.2153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.9061   -3.2847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.3981   -3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000    3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1 20  1  0  0  0  0
  1 44  1  0  0  0  0
  2 19  1  0  0  0  0
  2 43  1  0  0  0  0
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 10 12  1  0  0  0  0
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 11 15  1  0  0  0  0
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 13 19  1  0  0  0  0
 13 26  2  0  0  0  0
 14 20  1  0  0  0  0
 14 25  2  0  0  0  0
 15 16  1  0  0  0  0
 17 22  1  0  0  0  0
 17 34  1  0  0  0  0
 18 21  1  0  0  0  0
 18 33  1  0  0  0  0
 19 21  2  0  0  0  0
 20 22  2  0  0  0  0
 21 32  1  0  0  0  0
 22 31  1  0  0  0  0
 23 27  1  0  0  0  0
 23 36  1  0  0  0  0
 24 28  1  0  0  0  0
 24 35  1  0  0  0  0
 25 29  1  0  0  0  0
 25 38  1  0  0  0  0
 26 30  1  0  0  0  0
 26 37  1  0  0  0  0
 27 29  2  0  0  0  0
 27 40  1  0  0  0  0
 28 30  2  0  0  0  0
 28 39  1  0  0  0  0
 29 42  1  0  0  0  0
 30 41  1  0  0  0  0
M  END

$$$$
D04JWW
  -OEChem-10101305022D

 38 39  0     0  0  0  0  0  0999 V2000
    8.9073    3.6307    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    3.3988    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4347    4.3933    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2437    2.9920    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.1012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.3988    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
    4.5981    1.3988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.6012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.8988    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
    5.4641    2.8988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1 19  1  0  0  0  0
  2 12  2  0  0  0  0
  3 15  1  0  0  0  0
  3 20  1  0  0  0  0
  4 15  2  0  0  0  0
  4 19  1  0  0  0  0
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  5 21  1  0  0  0  0
  5 22  1  0  0  0  0
  6  8  1  0  0  0  0
  6 23  1  0  0  0  0
  6 24  1  0  0  0  0
  7  9  1  0  0  0  0
  7 25  1  0  0  0  0
  7 26  1  0  0  0  0
  8 10  1  0  0  0  0
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 10 12  1  0  0  0  0
 10 31  1  0  0  0  0
 10 32  1  0  0  0  0
 11 13  2  0  0  0  0
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 13 16  1  0  0  0  0
 13 33  1  0  0  0  0
 14 17  2  0  0  0  0
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 16 18  2  0  0  0  0
 16 35  1  0  0  0  0
 17 18  1  0  0  0  0
 17 36  1  0  0  0  0
 18 37  1  0  0  0  0
 19 20  2  0  0  0  0
 20 38  1  0  0  0  0
M  END

$$$$
D04JXA
  -OEChem-10191522502D

 70 73  0     1  0  0  0  0  0999 V2000
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M  END

$$$$
D04JXX
  -OEChem-10191522032D

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 77147  1  0  0  0  0
M  END

$$$$
D04JYI
  -OEChem-10101305022D

 36 38  0     0  0  0  0  0  0999 V2000
    4.6783    2.4698    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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M  END

$$$$
D04JYW
  -OEChem-10101305022D

 56 56  0     1  0  0  0  0  0999 V2000
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  2 18  1  0  0  0  0
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  4 23  1  0  0  0  0
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 14 15  1  0  0  0  0
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 16 20  1  0  0  0  0
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 16 47  1  0  0  0  0
 17 21  1  0  0  0  0
 17 48  1  0  0  0  0
 17 49  1  0  0  0  0
 19 20  2  0  0  0  0
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 20 51  1  0  0  0  0
 21 22  1  0  0  0  0
 21 52  1  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
 22 56  1  0  0  0  0
M  END

$$$$
D04JZJ
  -OEChem-10101305022D

 48 51  0     0  0  0  0  0  0999 V2000
    9.7942    1.4827    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942   -1.5173    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -0.0173    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.9827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.0173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    1.4827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    0.9827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.5173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.4827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -0.5173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.9827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.6603   -0.0173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.6603    0.9827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.5542   -0.5520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1 16  1  0  0  0  0
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 10 12  1  0  0  0  0
 10 37  1  0  0  0  0
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 11 13  2  0  0  0  0
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 12 16  2  0  0  0  0
 13 18  1  0  0  0  0
 13 39  1  0  0  0  0
 14 19  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
 17 20  1  0  0  0  0
 17 22  2  0  0  0  0
 18 21  2  0  0  0  0
 18 42  1  0  0  0  0
 19 21  1  0  0  0  0
 19 43  1  0  0  0  0
 20 23  2  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
 23 25  1  0  0  0  0
 23 46  1  0  0  0  0
 24 25  2  0  0  0  0
 24 47  1  0  0  0  0
 25 48  1  0  0  0  0
M  END

$$$$
D04JZV
  -OEChem-04152108372D

 32 33  0     1  0  0  0  0  0999 V2000
    4.2690   -1.6671    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -0.6671    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7494   -1.7017    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -0.6671    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    1.3329    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.7610    1.3676    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.6671   -0.1879    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.5312    1.3571    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -0.1671    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    5.1350    0.8329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -0.1671    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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   10.0693    1.0492    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
 10  1  1  1  0  0  0
  1 28  1  0  0  0  0
 12  2  1  6  0  0  0
  2 29  1  0  0  0  0
  3 16  2  0  0  0  0
  4  9  1  0  0  0  0
  4 13  1  0  0  0  0
  4 22  1  0  0  0  0
  5 11  1  0  0  0  0
  5 14  1  0  0  0  0
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  6 14  1  0  0  0  0
  6 17  2  0  0  0  0
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  7 17  1  0  0  0  0
  7 30  1  0  0  0  0
  8 17  1  0  0  0  0
  8 31  1  0  0  0  0
  8 32  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 18  1  6  0  0  0
 10 12  1  0  0  0  0
 10 19  1  0  0  0  0
 11 20  1  0  0  0  0
 11 21  1  0  0  0  0
 12 15  1  0  0  0  0
 12 23  1  0  0  0  0
 13 14  2  0  0  0  0
 13 16  1  0  0  0  0
 15 25  1  0  0  0  0
 15 26  1  0  0  0  0
 15 27  1  0  0  0  0
M  END

$$$$
D04JZY
  -OEChem-10101305032D

 33 33  0     0  0  0  0  0  0999 V2000
    6.3301    5.0600    0.0000 K   0  3  0  0  0  0  0  0  0  0  0  0
    5.4641    3.5600    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    3.0600    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
    2.0000   -4.4400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  2  3  1  0  0  0  0
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  2  7  2  0  0  0  0
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  3 15  1  0  0  0  0
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  5 33  1  0  0  0  0
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 10 12  1  0  0  0  0
 10 16  2  0  0  0  0
 10 17  1  0  0  0  0
 11 12  2  0  0  0  0
 11 23  1  0  0  0  0
 12 24  1  0  0  0  0
 13 18  1  0  0  0  0
 13 25  1  0  0  0  0
 14 19  2  0  0  0  0
 14 26  1  0  0  0  0
 15 18  2  0  0  0  0
 15 19  1  0  0  0  0
 16 21  1  0  0  0  0
 16 27  1  0  0  0  0
 17 20  2  0  0  0  0
 17 28  1  0  0  0  0
 18 29  1  0  0  0  0
 19 30  1  0  0  0  0
 20 22  1  0  0  0  0
 21 22  2  0  0  0  0
 22 31  1  0  0  0  0
M  CHG  2   1   1   6  -1
M  END

$$$$
D04KAM
  -OEChem-10101305022D

 37 37  0     0  0  0  0  0  0999 V2000
    7.1962   -0.2500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603    0.7500    0.0000 O   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   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 16 17  1  0  0  0  0
 17 35  1  0  0  0  0
 17 36  1  0  0  0  0
 17 37  1  0  0  0  0
M  END

$$$$
D04KAS
  -OEChem-10101305022D

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 16  7  1  1  0  0  0
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 25 26  1  0  0  0  0
 25 28  2  0  0  0  0
 26 29  2  0  0  0  0
 27 53  1  0  0  0  0
 27 54  1  0  0  0  0
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 28 30  1  0  0  0  0
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 29 31  1  0  0  0  0
 29 57  1  0  0  0  0
 30 31  2  0  0  0  0
 30 58  1  0  0  0  0
 31 59  1  0  0  0  0
M  END

$$$$
D04KAZ
  -OEChem-10101305022D

 33 34  0     0  0  0  0  0  0999 V2000
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 18 32  1  0  0  0  0
 19 33  1  0  0  0  0
M  END

$$$$
D04KCX
  -OEChem-04152109192D

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  9 15  1  0  0  0  0
 10 12  2  0  0  0  0
 10 16  1  0  0  0  0
 11 12  1  0  0  0  0
 11 17  1  0  0  0  0
M  END

$$$$
D04KDB
  -OEChem-10101305022D

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  2 22  1  0  0  0  0
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  5  6  1  0  0  0  0
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  5  9  1  0  0  0  0
  6  8  1  0  0  0  0
  6 17  1  0  0  0  0
  6 18  1  0  0  0  0
  7 12  1  0  0  0  0
  8 11  1  0  0  0  0
  8 19  1  0  0  0  0
  8 20  1  0  0  0  0
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 10 13  1  0  0  0  0
 12 13  2  0  0  0  0
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 13 24  1  0  0  0  0
 14 16  2  0  0  0  0
 14 25  1  0  0  0  0
 15 26  1  0  0  0  0
 16 27  1  0  0  0  0
M  END

$$$$
D04KDW
  -OEChem-10101305022D

 68 72  0     0  0  0  0  0  0999 V2000
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M  END

$$$$
D04KFR
  -OEChem-10191523012D

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 40 44  2  0  0  0  0
 40 85  1  0  0  0  0
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 45 47  1  0  0  0  0
 45 90  1  0  0  0  0
 46 91  1  0  0  0  0
 47 92  1  0  0  0  0
M  END

$$$$
D04KGK
  -OEChem-10101305022D

 28 30  0     0  0  0  0  0  0999 V2000
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  1  6  1  0  0  0  0
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  1 20  1  0  0  0  0
  2  3  1  0  0  0  0
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  3  5  1  0  0  0  0
  3 18  1  0  0  0  0
  3 19  1  0  0  0  0
  4  7  1  0  0  0  0
  4  8  2  0  0  0  0
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  5  9  2  0  0  0  0
  6 11  2  0  0  0  0
  7 10  2  0  0  0  0
  8 13  1  0  0  0  0
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 10 14  1  0  0  0  0
 10 23  1  0  0  0  0
 11 15  1  0  0  0  0
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 13 14  2  0  0  0  0
 13 25  1  0  0  0  0
 14 27  1  0  0  0  0
 15 28  1  0  0  0  0
M  END

$$$$
D04KGP
  -OEChem-10101305022D

 42 45  0     1  0  0  0  0  0999 V2000
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    4.6660    1.4670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 10 12  2  0  0  0  0
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 21 39  1  0  0  0  0
 21 40  1  0  0  0  0
 21 41  1  0  0  0  0
M  END

$$$$
D04KHE
  -OEChem-10101305022D

135141  0     1  0  0  0  0  0999 V2000
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 71134  1  0  0  0  0
M  END

$$$$
D04KOZ
  -OEChem-10101305022D

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M  END

$$$$
D04KPW
  -OEChem-10101305022D

 31 32  0     0  0  0  0  0  0999 V2000
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M  END

$$$$
D04KQF
  -OEChem-10121501312D

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M  END

$$$$
D04KQT
  -OEChem-10191522062D

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  1  2  2  0  0  0  0
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  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3 16  1  0  0  0  0
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 13 15  1  0  0  0  0
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 15 36  1  0  0  0  0
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 16 39  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
M  END

$$$$
D04KSU
  -OEChem-10101305022D

 59 61  0     1  0  0  0  0  0999 V2000
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   10.2424    0.9952    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1  7  1  0  0  0  0
  1 12  1  0  0  0  0
  2  9  1  0  0  0  0
  2 13  1  0  0  0  0
  3  8  1  0  0  0  0
  3 41  1  0  0  0  0
  4 18  2  0  0  0  0
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  5 53  1  0  0  0  0
  6 28  2  0  0  0  0
  7  8  1  0  0  0  0
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  7 32  1  0  0  0  0
  8 10  1  0  0  0  0
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 10 35  1  0  0  0  0
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 13 15  2  0  0  0  0
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 15 17  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 21  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 22  1  0  0  0  0
 20 23  1  0  0  0  0
 20 24  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 25  2  0  0  0  0
 22 28  1  0  0  0  0
 23 27  1  0  0  0  0
 23 47  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 26  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 52  1  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
 30 55  1  0  0  0  0
 30 56  1  0  0  0  0
 31 57  1  0  0  0  0
 31 58  1  0  0  0  0
 31 59  1  0  0  0  0
M  END

$$$$
D04KTJ
  -OEChem-10101305022D

 44 47  0     0  0  0  0  0  0999 V2000
    6.3290    0.8456    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3290   -2.1544    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5806    0.8802    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9702   -3.0983    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8718    2.9001    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    7.1950   -1.6544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5690   -2.1891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5690   -0.1198    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1950   -0.6544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9638   -3.0787    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3290   -0.1544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6629   -1.6752    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7204    1.3902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0889   -2.1891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1 13  2  0  0  0  0
  2  6  1  0  0  0  0
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  3 10  1  0  0  0  0
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 10 15  1  0  0  0  0
 11 13  1  0  0  0  0
 11 18  2  0  0  0  0
 12 20  1  0  0  0  0
 14 15  2  0  0  0  0
 14 25  1  0  0  0  0
 15 26  1  0  0  0  0
 16 19  1  0  0  0  0
 16 28  1  0  0  0  0
 16 29  1  0  0  0  0
 17 21  1  0  0  0  0
 17 30  1  0  0  0  0
 18 22  1  0  0  0  0
 18 33  1  0  0  0  0
 19 31  1  0  0  0  0
 19 32  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
 21 22  2  0  0  0  0
 21 37  1  0  0  0  0
 22 38  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
 24 43  1  0  0  0  0
 24 44  1  0  0  0  0
M  END

$$$$
D04KUP
  -OEChem-10101305022D

 15 16  0     0  0  0  0  0  0999 V2000
    2.0000    0.8030    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    5.5443    0.6077    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    4.5981   -0.6970    0.0000 C   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
    3.7320   -1.1970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5443   -1.0018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.3030    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
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    3.7320   -1.8170    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7369    1.1970    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7369   -1.5911    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -1.0070    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2 13  1  0  0  0  0
  3  8  2  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5  8  1  0  0  0  0
  6  9  2  0  0  0  0
  6 11  1  0  0  0  0
  7 10  2  0  0  0  0
  7 12  1  0  0  0  0
  8 14  1  0  0  0  0
  9 10  1  0  0  0  0
 10 15  1  0  0  0  0
M  END

$$$$
D04KWA
  BIDD-NUS20110812001D

 56 63  0     1  0            999 V2000
   -5.1333    0.5333    0.0000 C   0  0  2  0  0  0           0  0  0
    4.3375    0.0708    0.0000 C   0  0  2  0  0  0           0  0  0
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   -3.6333    0.8708    0.0000 N   0  0  0  0  0  0           0  0  0
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 29 15  1  0     0  0
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 48 37  1  0     0  0
 49 38  1  0     0  0
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 51 54  1  0     0  0
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 21  5  1  0     0  0
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 41 17  1  0     0  0
 19 14  1  0     0  0
 22  6  1  0     0  0
 24 12  1  0     0  0
M  ENDM  END

$$$$
D04KWH
  -OEChem-10101305022D

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 24 45  1  0  0  0  0
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 25 46  1  0  0  0  0
M  END

$$$$
D04KZX
  -OEChem-10101305022D

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 17 37  1  0  0  0  0
M  END

$$$$
D04LBJ
          11280715352D 1   1.00000     0.00000     0

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 22 21  1  0     0  0
  2 10  1  0     0  0
 13  9  2  0     0  0
M  END

$$$$
D04LBT
  -OEChem-10101305022D

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 39 79  1  0  0  0  0
M  END

$$$$
D04LBV
  -OEChem-10191521412D

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 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 44  1  0  0  0  0
 18 45  1  0  0  0  0
 19 20  1  0  0  0  0
 19 46  1  0  0  0  0
 19 47  1  0  0  0  0
 20 48  1  0  0  0  0
 20 49  1  0  0  0  0
 22 23  2  0  0  0  0
 22 25  1  0  0  0  0
 23 26  1  0  0  0  0
 23 51  1  0  0  0  0
 24 26  2  0  0  0  0
 24 27  1  0  0  0  0
 25 27  2  0  0  0  0
 25 52  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 55  1  0  0  0  0
 30 31  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
 32 59  1  0  0  0  0
 32 60  1  0  0  0  0
 32 61  1  0  0  0  0
M  END

$$$$
D04LDH
  -OEChem-04152110122D

 43 46  0     0  0  0  0  0  0999 V2000
    4.6701   -3.7852    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1701    1.7536    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1733    1.1627    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8611    0.8026    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.6515    1.8208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4791    0.8026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302    0.4936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6701    0.2148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1701    1.7536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6701   -0.7852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5823    2.5626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5361   -1.2852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8041   -1.2852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0688    2.1572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1515    0.9548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9890    3.4762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5878    2.4581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5361   -2.2852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8041   -2.2852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6701   -2.7852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9823    2.5640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4013    4.2852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    3.2671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4067    4.1807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8041   -4.2852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1391   -0.0539    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9187    0.1118    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5345    2.2552    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0730   -0.9752    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2671   -0.9752    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5319    2.4672    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4036    0.3884    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6056    3.5410    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3356    1.8917    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0730   -2.5952    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2671   -2.5952    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1112    3.1704    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6534    4.8516    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3834    3.2023    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0423    4.6823    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4941   -3.7483    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2671   -4.5952    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1141   -4.8222    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  4  1  0  0  0  0
  2  9  1  0  0  0  0
  2 11  1  0  0  0  0
  3  7  1  0  0  0  0
  3 14  1  0  0  0  0
  3 15  1  0  0  0  0
  4  8  2  0  0  0  0
  5 15  2  0  0  0  0
  5 21  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6  9  2  0  0  0  0
  7 26  1  0  0  0  0
  7 27  1  0  0  0  0
  8 10  1  0  0  0  0
  9 28  1  0  0  0  0
 10 12  2  0  0  0  0
 10 13  1  0  0  0  0
 11 16  2  0  0  0  0
 11 17  1  0  0  0  0
 12 18  1  0  0  0  0
 12 29  1  0  0  0  0
 13 19  2  0  0  0  0
 13 30  1  0  0  0  0
 14 21  2  0  0  0  0
 14 31  1  0  0  0  0
 15 32  1  0  0  0  0
 16 22  1  0  0  0  0
 16 33  1  0  0  0  0
 17 23  2  0  0  0  0
 17 34  1  0  0  0  0
 18 20  2  0  0  0  0
 18 35  1  0  0  0  0
 19 20  1  0  0  0  0
 19 36  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 24  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

$$$$
D04LDP
  -OEChem-10101305032D

 22 21  0     1  0  0  0  0  0999 V2000
    7.1962    0.2500    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    0.7500    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    7.6962   -0.6160    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    6.6962    1.1160    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.2500    0.0000 O   0  5  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
    5.4641    0.2500    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.5981   -0.2500    0.0000 C   0  0  3  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
    3.7320    0.2500    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.8660   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    0.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -0.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9316   -0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7287   -0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    1.5600    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
    3.1951    1.5600    0.0000 H   0  0  0  0  0  0  0  0  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
  1 12  1  0  0  0  0
  2 10  1  0  0  0  0
  2 20  1  0  0  0  0
  3 11  1  0  0  0  0
  3 21  1  0  0  0  0
  4 13  1  0  0  0  0
  4 22  1  0  0  0  0
  8 14  1  0  0  0  0
  9 14  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 16  1  0  0  0  0
 12 17  1  0  0  0  0
 12 18  1  0  0  0  0
 13 14  1  0  0  0  0
 13 19  1  0  0  0  0
M  CHG  3   5  -1   6  -1   8  -1
M  END

$$$$
D04LEF
  -OEChem-10191522162D

119120  0     1  0  0  0  0  0999 V2000
   10.1725    0.3045    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282   -0.2496    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    0.2504    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.2504    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    4.7504    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    4.7504    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -5.7496    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7078   -1.3428    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.0747    0.9225    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -1.7496    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.2504    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.1847    2.5187    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    2.7504    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.9983   -1.4450    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.8084    5.4531    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942   -1.7496    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.8988   -2.7441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8769   -2.9520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3769   -2.0860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8667   -0.0557    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.9157   -0.3647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282   -1.2496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6099   -0.7248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5609   -0.4158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -1.2496    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   13.0257    1.2315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2336    2.2096    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   14.3041   -1.0849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -1.7496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4905    2.8788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    1.2504    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.1962   -0.2496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    1.7504    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.6984    3.8569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2551   -0.7759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    2.7504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -2.7496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.7504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    1.2504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6494    4.1659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    3.2504    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.7320    2.7504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    3.2504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    3.2504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -3.2496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -3.2496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8574    5.1441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    4.2504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    4.2504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.7504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -4.2496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -4.2496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -4.7496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8267   -1.1304    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2788   -2.7441    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8340   -3.3607    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6853   -3.5416    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4433   -3.2042    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8785   -2.4504    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7918   -1.6252    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.4564    0.1359    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.1213   -1.1065    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.9010   -1.2722    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.6139    1.3374    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -2.3696    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.0495   -0.0341    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.2699    0.1317    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331   -0.9396    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.1120    0.6175    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.6453    1.2099    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.6944    1.7948    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.8155   -1.4666    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.5952   -1.6323    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1181   -1.1670    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7196   -1.8572    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9156    3.1110    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.1619    2.3530    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    0.9404    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    2.0604    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7932   -0.0596    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.6121    4.4709    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.0788    3.8786    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.7437   -0.3942    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.9641   -0.2285    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9841    3.3330    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5856    2.6428    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.3136    3.1251    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.6454    2.1038    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7522    0.7135    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    8.3722    1.7874    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.7357    3.5520    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.2691    4.1443    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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 50111  1  0  0  0  0
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 50113  1  0  0  0  0
 51 53  2  0  0  0  0
 51114  1  0  0  0  0
 52 53  1  0  0  0  0
 52115  1  0  0  0  0
M  END

$$$$
D04LFK
  -OEChem-10101305022D

 34 36  0     0  0  0  0  0  0999 V2000
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  4  6  1  0  0  0  0
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  8 27  1  0  0  0  0
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 10 12  1  0  0  0  0
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 15 33  1  0  0  0  0
 16 34  1  0  0  0  0
M  END

$$$$
D04LGK
          08280901002D 1   1.00000     0.00000     0

 23 25  0     0  0            999 V2000
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  1  3  1  0     0  0
  9 10  1  0     0  0
 12  4  1  0     0  0
  1  2  1  0     0  0
 10 11  2  0     0  0
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 11 12  1  0     0  0
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 16 17  2  0     0  0
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 13  8  1  0     0  0
 18 19  2  0     0  0
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 20 21  2  0     0  0
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 20 22  1  0     0  0
  8  9  2  0     0  0
 18 23  1  0     0  0
M  END

$$$$
D04LGV
  -OEChem-10101305022D

 50 52  0     1  0  0  0  0  0999 V2000
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  5 11  1  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 26  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 30  1  0  0  0  0
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 10 11  1  0  0  0  0
 10 32  1  0  0  0  0
 10 33  1  0  0  0  0
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 11 35  1  0  0  0  0
 12 14  2  0  0  0  0
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 13 18  2  0  0  0  0
 13 19  1  0  0  0  0
 14 16  1  0  0  0  0
 14 37  1  0  0  0  0
 15 17  2  0  0  0  0
 15 38  1  0  0  0  0
 16 20  2  0  0  0  0
 16 39  1  0  0  0  0
 17 20  1  0  0  0  0
 17 40  1  0  0  0  0
 18 22  1  0  0  0  0
 18 41  1  0  0  0  0
 19 23  2  0  0  0  0
 19 42  1  0  0  0  0
 20 43  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 21 24  1  0  0  0  0
 22 44  1  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
 24 47  1  0  0  0  0
 25 48  1  0  0  0  0
 25 49  1  0  0  0  0
 25 50  1  0  0  0  0
M  END

$$$$
D04LJH
  -OEChem-04152122302D

 42 45  0     1  0  0  0  0  0999 V2000
    8.1398    2.4978    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    5.1093    1.4486    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
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    3.2678   -0.4511    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    7.8809    1.5318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7673    2.3883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1343    2.3932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5465    3.4113    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6867    0.5423    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.9924   -2.9957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4749    1.3541    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.3116   -4.5511    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1  8  1  0  0  0  0
  1 10  1  0  0  0  0
  1 11  1  0  0  0  0
  2  6  1  0  0  0  0
  2  9  1  0  0  0  0
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  3  4  1  0  0  0  0
  3 12  2  0  0  0  0
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  5  7  1  0  0  0  0
  5  9  1  0  0  0  0
  5 22  1  0  0  0  0
  6  7  1  0  0  0  0
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  6 23  1  0  0  0  0
  7 24  1  0  0  0  0
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  8 26  1  0  0  0  0
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  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
 10 32  1  0  0  0  0
 11 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
 13 14  2  0  0  0  0
 13 36  1  0  0  0  0
 14 15  1  0  0  0  0
 14 37  1  0  0  0  0
 15 16  1  0  0  0  0
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 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
 17 38  1  0  0  0  0
 18 20  2  0  0  0  0
 18 39  1  0  0  0  0
 19 21  2  0  0  0  0
 19 40  1  0  0  0  0
 20 21  1  0  0  0  0
 20 41  1  0  0  0  0
 21 42  1  0  0  0  0
M  CHG  1   1   1
M  END

$$$$
D04LLD
  -OEChem-10101305022D

 46 47  0     0  0  0  0  0  0999 V2000
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 21 43  1  0  0  0  0
 22 23  1  0  0  0  0
 22 44  1  0  0  0  0
 23 45  1  0  0  0  0
M  END

$$$$
D04LMF
  -OEChem-10191521192D

194199  0     1  0  0  0  0  0999 V2000
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 88 91  2  0  0  0  0
 88181  1  0  0  0  0
 89 90  1  0  0  0  0
 89 97  2  0  0  0  0
 90 91  1  0  0  0  0
 90 99  2  0  0  0  0
 91183  1  0  0  0  0
 92100  1  0  0  0  0
 93 98  1  0  0  0  0
 93184  1  0  0  0  0
 94 96  2  0  0  0  0
 94185  1  0  0  0  0
 95 96  1  0  0  0  0
 95186  1  0  0  0  0
 97101  1  0  0  0  0
 97187  1  0  0  0  0
 98188  1  0  0  0  0
 99102  1  0  0  0  0
 99189  1  0  0  0  0
100190  1  0  0  0  0
100191  1  0  0  0  0
100192  1  0  0  0  0
101102  2  0  0  0  0
101193  1  0  0  0  0
102194  1  0  0  0  0
M  ISO  1   1 125
M  END

$$$$
D04LMJ
  -OEChem-04152109232D

 35 34  0     0  0  0  0  0  0999 V2000
    2.5000    4.7150    0.0000 Br  0  5  0  0  0  0  0  0  0  0  0  0
    0.0000    4.7150    0.0000 Br  0  5  0  0  0  0  0  0  0  0  0  0
   10.1962    9.6200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    0.6200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3301    5.1200    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    8.4641    3.6200    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   10.1962    8.6200    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8660    1.1200    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.3301    4.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4641    5.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5981    4.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1962    5.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4641    2.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3301    7.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7320    2.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4641    6.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7320    3.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1962    6.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5981    2.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3301    8.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8660    2.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5422    3.5374    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9407    4.2277    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9272    5.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5981    4.7400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7331    5.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0010    2.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9272    6.9300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1951    3.9300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7331    6.9300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5981    1.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7932    8.4300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3291    2.4300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7331    9.9300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  3  7  1  0  0  0  0
  3 34  1  0  0  0  0
  4  8  1  0  0  0  0
  4 35  1  0  0  0  0
  5  9  1  0  0  0  0
  5 10  2  0  0  0  0
  5 12  1  0  0  0  0
  6  9  1  0  0  0  0
  6 11  2  0  0  0  0
  6 13  1  0  0  0  0
  7 20  2  0  0  0  0
  8 21  2  0  0  0  0
  9 22  1  0  0  0  0
  9 23  1  0  0  0  0
 10 16  1  0  0  0  0
 10 24  1  0  0  0  0
 11 17  1  0  0  0  0
 11 25  1  0  0  0  0
 12 18  2  0  0  0  0
 12 26  1  0  0  0  0
 13 19  2  0  0  0  0
 13 27  1  0  0  0  0
 14 16  2  0  0  0  0
 14 18  1  0  0  0  0
 14 20  1  0  0  0  0
 15 17  2  0  0  0  0
 15 19  1  0  0  0  0
 15 21  1  0  0  0  0
 16 28  1  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
 21 33  1  0  0  0  0
M  CHG  4   1  -1   2  -1   5   1   6   1
M  END

$$$$
D04LNI
  -OEChem-10101305022D

 39 36  0     1  0  0  0  0  0999 V2000
    5.2619   -0.3640    0.0000 Pt  0  0  0  0  0  0  0  0  0  0  0  0
    7.0654   -1.0563    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.4776    1.1373    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.0709   -0.9518    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    6.0709    0.2238    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    6.9609   -2.0509    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1700   -0.0618    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3912    0.7306    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5641    1.5440    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783   -1.1688    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783    0.4407    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.1360    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.7320   -0.8640    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.8660    0.6360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.3640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.1360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.8640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0599   -1.1609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8844    2.0509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7977   -1.4805    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7977    0.7525    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4877   -1.7587    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1805   -1.5323    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2182    0.8564    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1805    0.8043    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4675   -1.8390    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2646   -1.8390    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2646    1.1109    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4675    1.1109    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7880    0.7186    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3894    0.0283    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3894   -0.7564    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7880   -1.4466    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4508    1.7987    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1366    2.6172    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3180    2.3030    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9951   -1.7775    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6765   -1.2257    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1248   -0.5443    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  4  1  0  0  0  0
  2  6  2  0  0  0  0
  2  7  2  0  0  0  0
  2 18  1  0  0  0  0
  3  5  1  0  0  0  0
  3  8  2  0  0  0  0
  3  9  2  0  0  0  0
  3 19  1  0  0  0  0
 10 13  1  0  0  0  0
 10 22  1  0  0  0  0
 10 23  1  0  0  0  0
 11 12  1  0  0  0  0
 11 24  1  0  0  0  0
 11 25  1  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
 13 15  1  0  0  0  0
 13 20  1  0  0  0  0
 14 16  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 26  1  0  0  0  0
 15 27  1  0  0  0  0
 16 17  1  0  0  0  0
 16 30  1  0  0  0  0
 16 31  1  0  0  0  0
 17 32  1  0  0  0  0
 17 33  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 34  1  0  0  0  0
 19 35  1  0  0  0  0
 19 36  1  0  0  0  0
M  CHG  3   1   4   4  -1   5  -1
M  END

$$$$
D04LPX
  -OEChem-10101305032D

 32 34  0     0  0  0  0  0  0999 V2000
    3.8041   -4.7852    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    5.4791    1.3026    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.9380   -0.2852    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6701   -0.2852    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8611    1.3026    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5823    3.0626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1701    2.2536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8041   -1.7852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6701    0.7148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9890    3.9762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5878    2.9581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1701    2.2536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8041   -0.7852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9380   -2.2852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6701   -2.2852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4013    4.7852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    3.7671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4067    4.6807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9380   -3.2852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6701   -3.2852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8041   -3.7852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6056    4.0410    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3356    2.3917    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5345    2.7552    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2070   -0.5952    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4011   -1.9752    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2070   -1.9752    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6534    5.3516    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3834    3.7023    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0423    5.1823    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4011   -3.5952    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2070   -3.5952    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 21  1  0  0  0  0
  2  9  1  0  0  0  0
  2 12  1  0  0  0  0
  3 13  2  0  0  0  0
  4  9  1  0  0  0  0
  4 13  1  0  0  0  0
  4 25  1  0  0  0  0
  5  7  1  0  0  0  0
  5  9  2  0  0  0  0
  6  7  1  0  0  0  0
  6 10  2  0  0  0  0
  6 11  1  0  0  0  0
  7 12  2  0  0  0  0
  8 13  1  0  0  0  0
  8 14  2  0  0  0  0
  8 15  1  0  0  0  0
 10 16  1  0  0  0  0
 10 22  1  0  0  0  0
 11 17  2  0  0  0  0
 11 23  1  0  0  0  0
 12 24  1  0  0  0  0
 14 19  1  0  0  0  0
 14 26  1  0  0  0  0
 15 20  2  0  0  0  0
 15 27  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
 19 21  2  0  0  0  0
 19 31  1  0  0  0  0
 20 21  1  0  0  0  0
 20 32  1  0  0  0  0
M  END

$$$$
D04LPY
  -OEChem-10101305032D

 38 40  0     0  0  0  0  0  0999 V2000
   10.6279   -2.2990    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.1279    0.2990    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.2990    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.7010    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5443    1.1038    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.7010    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.7990    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5443   -0.5057    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.7990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.2010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1279    0.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.2010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8550    2.0543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.7010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6279   -0.5670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6279   -0.5670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1279   -1.4330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1279    0.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1279   -1.4330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1279    0.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6279   -0.5670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4443    1.8617    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0476    2.6436    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2656    2.2469    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1120   -1.7010    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.3210    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3520   -1.7010    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100    1.8360    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    1.6090    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900    0.7621    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0453   -0.7790    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7356   -1.1776    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8179   -1.9700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8179    0.8360    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4379    0.8360    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2479   -0.5670    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 21  1  0  0  0  0
  2 12  1  0  0  0  0
  2 17  1  0  0  0  0
  3 11  2  0  0  0  0
  4 13  2  0  0  0  0
  5  9  1  0  0  0  0
  5 12  1  0  0  0  0
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 14 24  1  0  0  0  0
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 16 32  1  0  0  0  0
 17 18  1  0  0  0  0
 17 33  1  0  0  0  0
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 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
 19 35  1  0  0  0  0
 20 22  2  0  0  0  0
 20 36  1  0  0  0  0
 21 23  2  0  0  0  0
 22 23  1  0  0  0  0
 22 37  1  0  0  0  0
 23 38  1  0  0  0  0
M  END

$$$$
D04LRN
  -OEChem-10101305022D

 39 42  0     0  0  0  0  0  0999 V2000
    3.5827    1.2990    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4782   -1.6955    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0000   -1.0374    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1808   -0.2010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.1270   -0.5057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.2106   -2.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.3306   -1.4330    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9006   -2.8360    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5206   -2.8360    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  2 15  1  0  0  0  0
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  3  6  1  0  0  0  0
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  3 25  1  0  0  0  0
  4 18  1  0  0  0  0
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  7 12  2  0  0  0  0
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 10 11  1  0  0  0  0
 10 28  1  0  0  0  0
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 16 30  1  0  0  0  0
 17 20  2  0  0  0  0
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 18 32  1  0  0  0  0
 19 21  2  0  0  0  0
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 20 21  1  0  0  0  0
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 21 35  1  0  0  0  0
 22 36  1  0  0  0  0
 22 37  1  0  0  0  0
 22 38  1  0  0  0  0
 23 39  1  0  0  0  0
M  END

$$$$
D04LSR
  -OEChem-10191522452D

 51 53  0     0  0  0  0  0  0999 V2000
    2.0000   -3.7500    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.7500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8660   -1.2500    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
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 10 33  1  0  0  0  0
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 23 24  1  0  0  0  0
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 25 26  1  0  0  0  0
 25 50  1  0  0  0  0
 26 51  1  0  0  0  0
M  END

$$$$
D04LSW
  -OEChem-04152110282D

472478  0     1  0  0  0  0  0999 V2000
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M  END

$$$$
D04LTV
  -OEChem-10101305022D

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M  END

$$$$
D04LUF
  -OEChem-10101305032D

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M  END

$$$$
D04LUI
  -OEChem-10101305022D

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 13  3  1  1  0  0  0
 10  4  1  1  0  0  0
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 11  5  1  1  0  0  0
  5 22  1  0  0  0  0
  6 14  1  0  0  0  0
  6 23  1  0  0  0  0
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  8 25  1  0  0  0  0
 10 11  1  0  0  0  0
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 10 15  1  0  0  0  0
 11 13  1  0  0  0  0
 11 16  1  0  0  0  0
 12 14  1  6  0  0  0
 12 17  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
M  END

$$$$
D04LWD
  -OEChem-10101305022D

 50 53  0     0  0  0  0  0  0999 V2000
    6.7619    0.7990    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2619    1.6651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7619   -0.9330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.2619   -1.7990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 20 22  2  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 23  1  0  0  0  0
 22 49  1  0  0  0  0
 23 50  1  0  0  0  0
M  END

$$$$
D04LWL
  -OEChem-10101305032D

 24 25  0     0  0  0  0  0  0999 V2000
    2.0000   -1.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.0000    0.0000 N   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
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    3.7320    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7320   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  6  2  0  0  0  0
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  2  6  1  0  0  0  0
  2 10  1  0  0  0  0
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 10 17  1  0  0  0  0
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 11 20  1  0  0  0  0
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 11 22  1  0  0  0  0
 12 13  2  0  0  0  0
 12 23  1  0  0  0  0
 13 24  1  0  0  0  0
M  END

$$$$
D04LXG
  -OEChem-10101305022D

 53 55  0     0  0  0  0  0  0999 V2000
    2.8660    1.2872    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 27 51  1  0  0  0  0
 27 52  1  0  0  0  0
 27 53  1  0  0  0  0
M  END

$$$$
D04LXR
  -OEChem-10101305022D

 44 46  0     0  0  0  0  0  0999 V2000
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 25 26  1  0  0  0  0
 25 42  1  0  0  0  0
 26 43  1  0  0  0  0
M  END

$$$$
D04LZA
  -OEChem-10101305022D

 56 59  0     0  0  0  0  0  0999 V2000
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 25 26  2  0  0  0  0
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 26 53  1  0  0  0  0
 27 29  1  0  0  0  0
 27 54  1  0  0  0  0
 28 29  2  0  0  0  0
 28 55  1  0  0  0  0
 29 56  1  0  0  0  0
M  END

$$$$
D04LZJ
  -OEChem-10101305032D

 18 17  0     0  0  0  0  0  0999 V2000
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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  6  1  0  0  0  0
  2 18  1  0  0  0  0
  3 17  1  0  0  0  0
  5  8  1  0  0  0  0
  5 15  1  0  0  0  0
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  7 11  1  0  0  0  0
  7 12  1  0  0  0  0
  8 13  1  0  0  0  0
  8 14  1  0  0  0  0
M  END

$$$$
D04LZN
  -OEChem-10101305022D

 25 27  0     0  0  0  0  0  0999 V2000
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    2.3291   -2.7048    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -2.7048    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 11  1  0  0  0  0
  2 12  1  0  0  0  0
  3 12  2  0  0  0  0
  3 13  1  0  0  0  0
  4 11  2  0  0  0  0
  4 15  1  0  0  0  0
  5 14  1  0  0  0  0
  5 15  2  0  0  0  0
  6 14  1  0  0  0  0
  6 24  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 16  1  0  0  0  0
  8 10  1  0  0  0  0
  8 17  1  0  0  0  0
  8 18  1  0  0  0  0
  9 10  1  0  0  0  0
  9 19  1  0  0  0  0
  9 20  1  0  0  0  0
 10 21  1  0  0  0  0
 10 22  1  0  0  0  0
 11 13  1  0  0  0  0
 13 14  2  0  0  0  0
 15 23  1  0  0  0  0
M  END

$$$$
D04MAM
  -OEChem-10101305022D

 29 30  0     1  0  0  0  0  0999 V2000
    3.4030   -0.4573    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -0.4573    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.0427    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9030    0.4087    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9030   -1.3234    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -0.9573    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    0.0427    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.0010    1.0427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    1.5427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    1.0427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -0.4573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    0.0427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6270    1.5773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6270   -0.4920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5331    1.0635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5331    0.0219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -0.5773    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7890    1.6253    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3905    0.9350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2656    2.0176    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4685    2.0176    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7365   -0.9323    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5335   -0.9323    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6199    2.1973    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6199   -1.1120    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0688    1.3756    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0688   -0.2902    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.6473    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -1.5773    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  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
  2  7  1  0  0  0  0
  2 12  1  0  0  0  0
  3 11  1  0  0  0  0
  6 28  1  0  0  0  0
  6 29  1  0  0  0  0
  7  8  1  0  0  0  0
  7 11  1  0  0  0  0
  7 17  1  0  0  0  0
  8  9  1  0  0  0  0
  8 18  1  0  0  0  0
  8 19  1  0  0  0  0
  9 10  1  0  0  0  0
  9 20  1  0  0  0  0
  9 21  1  0  0  0  0
 10 12  1  0  0  0  0
 10 13  2  0  0  0  0
 11 22  1  0  0  0  0
 11 23  1  0  0  0  0
 12 14  2  0  0  0  0
 13 15  1  0  0  0  0
 13 24  1  0  0  0  0
 14 16  1  0  0  0  0
 14 25  1  0  0  0  0
 15 16  2  0  0  0  0
 15 26  1  0  0  0  0
 16 27  1  0  0  0  0
M  END

$$$$
D04MAP
  -OEChem-10191521472D

 51 55  0     1  0  0  0  0  0999 V2000
    7.3988   -3.2736    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4280    2.6839    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6200   -2.3795    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6200   -0.6475    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1200   -1.5135    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6051   -2.3182    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.1887   -1.5135    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.7078   -0.7045    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.6588   -1.0135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6588   -2.0135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7078   -2.3225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3988    0.2466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6051   -0.7088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1200   -1.5135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9157    0.2418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0679    0.9897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4206    0.4545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6200   -0.6475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6200   -2.3795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7589    1.9408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8942    0.4480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2479    0.9861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1116    1.4055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6200   -0.6475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6200   -2.3795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7807    2.1487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1200   -1.5135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2049    1.3985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5585    1.9366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5370    2.1428    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8477    3.0933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1200   -1.5135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0954   -0.6075    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7977   -2.9076    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6744    0.8608    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0058   -0.0063    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9300   -0.1105    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9300   -2.9165    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3083   -0.0135    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6412    0.8582    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5052    1.5345    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3100   -0.1105    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3100   -2.9165    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5891    2.7383    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8116    1.5264    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1445    2.3980    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4370    2.9007    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0403    3.6826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2584    3.2859    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2364    3.2736    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.3795    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  2  0  0  0  0
  2 20  1  0  0  0  0
  2 50  1  0  0  0  0
  3 32  1  0  0  0  0
  3 51  1  0  0  0  0
  4 32  2  0  0  0  0
  5  8  1  0  0  0  0
  5 11  1  0  0  0  0
  5 14  1  0  0  0  0
  6  7  1  0  0  0  0
  6 10  1  0  0  0  0
  6 34  1  0  0  0  0
  7 13  2  0  0  0  0
  8  9  1  0  0  0  0
  8 12  1  0  0  0  0
  8 33  1  0  0  0  0
  9 10  2  0  0  0  0
  9 13  1  0  0  0  0
 10 11  1  0  0  0  0
 12 16  2  0  0  0  0
 12 17  1  0  0  0  0
 13 15  1  0  0  0  0
 14 18  2  0  0  0  0
 14 19  1  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 35  1  0  0  0  0
 17 23  2  0  0  0  0
 17 36  1  0  0  0  0
 18 24  1  0  0  0  0
 18 37  1  0  0  0  0
 19 25  2  0  0  0  0
 19 38  1  0  0  0  0
 20 26  2  0  0  0  0
 21 28  1  0  0  0  0
 21 39  1  0  0  0  0
 22 29  2  0  0  0  0
 22 40  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 27  1  0  0  0  0
 25 43  1  0  0  0  0
 26 44  1  0  0  0  0
 27 32  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
 30 31  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
M  END

$$$$
D04MBD
  -OEChem-10101305022D

 25 27  0     0  0  0  0  0  0999 V2000
    2.9176    1.5346    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.4144    1.5346    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.6660    1.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4260   -1.5346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9061   -1.5346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4260    0.5347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9061    0.5347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3321   -1.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3321    0.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2675   -1.9749    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0646   -1.9749    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4188   -2.1546    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9132   -2.1546    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8678   -1.3328    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4643   -1.3328    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8678    0.3329    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4643    0.3329    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  1  0  0  0  0
  2 12  1  0  0  0  0
  3  9  2  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4 18  1  0  0  0  0
  4 19  1  0  0  0  0
  5  7  2  0  0  0  0
  5 10  1  0  0  0  0
  6  8  2  0  0  0  0
  6 11  1  0  0  0  0
  7  9  1  0  0  0  0
  7 12  1  0  0  0  0
  8  9  1  0  0  0  0
  8 13  1  0  0  0  0
 10 15  2  0  0  0  0
 10 20  1  0  0  0  0
 11 14  2  0  0  0  0
 11 21  1  0  0  0  0
 12 16  2  0  0  0  0
 13 17  2  0  0  0  0
 14 17  1  0  0  0  0
 14 23  1  0  0  0  0
 15 16  1  0  0  0  0
 15 22  1  0  0  0  0
 16 24  1  0  0  0  0
 17 25  1  0  0  0  0
M  END

$$$$
D04MCL
  -OEChem-04152110242D

259264  0     1  0  0  0  0  0999 V2000
   28.8637    4.6855    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.9521    5.6446    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   26.9532    1.6277    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.7059    4.0754    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   29.9352   -0.3990    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.0131    7.2588    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   29.6711   -3.9948    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4097    7.3845    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   31.9387   -2.6319    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0095    9.4917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   30.6496   -3.7886    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7204    8.3350    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   26.0677   -3.8692    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1456    3.7886    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   25.8036   -7.4650    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5422    3.9143    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.5574   -9.0342    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6317    0.8565    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   24.8716  -10.3166    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6067    3.2956    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.2252   -9.7785    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9639    1.6008    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.9556    3.4117    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   27.5280    6.1741    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   27.5745    3.5288    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.6629    4.4878    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   28.5995    1.0896    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.3487    5.7702    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   31.5350    1.7083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.2807    8.6218    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   28.6460   -1.5557    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.7239    6.1021    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   33.1814    1.1702    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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134251  1  0  0  0  0
134252  1  0  0  0  0
M  CHG  1  24   1
M  END

$$$$
D04MEE
  -OEChem-10101305022D

 32 33  0     1  0  0  0  0  0999 V2000
    2.1340    1.5000    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
    3.8660   -2.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7320    3.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    1.0000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.0000   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8660    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1340   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8660   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7320    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8660    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.5981    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    1.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1  5  1  0  0  0  0
  2 11  1  0  0  0  0
  2 16  2  0  0  0  0
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  4  6  1  0  0  0  0
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  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  5 18  1  0  0  0  0
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  7 23  1  0  0  0  0
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  9 13  2  0  0  0  0
 10 14  2  0  0  0  0
 10 25  1  0  0  0  0
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 14 16  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
 16 31  1  0  0  0  0
 17 32  1  0  0  0  0
M  END

$$$$
D04MFW
          04250800272D 1   1.00000     0.00000     0

 22 23  0     0  0            999 V2000
    5.3514   -5.6075    0.0000 C   0  0  3  0  0  0           0  0  0
    5.7038   -6.2214    0.0000 C   0  0  0  0  0  0           0  0  0
    4.9955   -6.2205    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.7819   -4.1789    0.0000 C   0  0  0  0  0  0           0  0  0
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   -0.1699   -3.1244    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.7850   -3.4750    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.1620   -2.4136    0.0000 O   0  0  0  0  0  0           0  0  0
   -1.4017   -4.5334    0.0000 N   0  0  0  0  0  0           0  0  0
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    2.2847   -4.5458    0.0000 C   0  0  0  0  0  0           0  0  0
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    3.5102   -5.2509    0.0000 C   0  0  0  0  0  0           0  0  0
    5.9653   -5.2541    0.0000 C   0  0  0  0  0  0           0  0  0
  2  1  1  0     0  0
  4 11  1  0     0  0
  1  3  1  0     0  0
  6 12  1  0     0  0
 12 13  1  0     0  0
 13 14  1  0     0  0
  4  5  1  0     0  0
 14 15  1  0     0  0
  4  9  2  0     0  0
 15 16  1  0     0  0
  5  6  1  0     0  0
 16 17  2  0     0  0
  6  7  2  0     0  0
 17 18  1  0     0  0
  7  8  1  0     0  0
 18 19  2  0     0  0
  8  9  1  0     0  0
 19 20  1  0     0  0
 20 21  2  0     0  0
 21 16  1  0     0  0
 19  1  1  0     0  0
  8 10  2  0     0  0
  1 22  1  0     0  0
M  END

$$$$
D04MHP
  -OEChem-04152111302D

 89 89  0     0  0  0  0  0  0999 V2000
    7.9594    0.8660    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.9594    4.5969    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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 40 41  2  0  0  0  0
 40 84  1  0  0  0  0
 41 85  1  0  0  0  0
M  END

$$$$
D04MIG
  -OEChem-10191522212D

 32 34  0     0  0  0  0  0  0999 V2000
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  1  9  1  0  0  0  0
  2 17  1  0  0  0  0
  2 21  1  0  0  0  0
  3 20  1  0  0  0  0
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  6  8  1  0  0  0  0
  6  9  2  0  0  0  0
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  7 10  1  0  0  0  0
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 10 12  1  0  0  0  0
 11 14  2  0  0  0  0
 11 15  1  0  0  0  0
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 18 30  1  0  0  0  0
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 19 31  1  0  0  0  0
 21 32  1  0  0  0  0
M  END

$$$$
D04MIN
  -OEChem-10191522082D

 59 63  0     1  0  0  0  0  0999 V2000
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 11 31  1  0  0  0  0
 11 56  1  0  0  0  0
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 17 19  1  6  0  0  0
 17 44  1  0  0  0  0
 20 24  1  0  0  0  0
 20 47  1  0  0  0  0
 20 48  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  2  0  0  0  0
 22 25  2  0  0  0  0
 22 26  1  0  0  0  0
 23 49  1  0  0  0  0
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 25 29  1  0  0  0  0
 26 30  2  0  0  0  0
 26 50  1  0  0  0  0
 27 33  1  0  0  0  0
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 29 32  2  0  0  0  0
 29 52  1  0  0  0  0
 30 32  1  0  0  0  0
 32 53  1  0  0  0  0
 33 35  2  0  0  0  0
 34 35  1  0  0  0  0
 34 54  1  0  0  0  0
 35 55  1  0  0  0  0
 36 37  1  0  0  0  0
 36 58  1  0  0  0  0
 36 59  1  0  0  0  0
M  END

$$$$
D04MIY
  -OEChem-10101305022D

 24 26  0     0  0  0  0  0  0999 V2000
    2.0000    0.8030    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.5443    0.6077    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5443   -1.0018    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.6279    0.6690    0.0000 N   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
    4.5981   -0.6970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1279   -0.1970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1279   -0.1970    0.0000 C   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
    3.7320   -1.1970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.3030    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
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    9.1279   -0.1970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7369    1.1970    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
  2  5  1  0  0  0  0
  2  7  1  0  0  0  0
  2 17  1  0  0  0  0
  3  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  1  0  0  0  0
  4 15  2  0  0  0  0
  5  6  2  0  0  0  0
  5  9  1  0  0  0  0
  6 10  1  0  0  0  0
  7  8  1  0  0  0  0
  8 13  2  0  0  0  0
  9 11  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 12  1  0  0  0  0
 12 20  1  0  0  0  0
 13 14  1  0  0  0  0
 13 21  1  0  0  0  0
 14 16  2  0  0  0  0
 14 22  1  0  0  0  0
 15 16  1  0  0  0  0
 15 23  1  0  0  0  0
 16 24  1  0  0  0  0
M  END

$$$$
D04MKB
  -OEChem-10101305032D

 53 56  0     0  0  0  0  0  0999 V2000
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  1 13  1  0  0  0  0
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 14 15  2  0  0  0  0
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 18 44  1  0  0  0  0
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 22 26  2  0  0  0  0
 22 48  1  0  0  0  0
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 25 27  1  0  0  0  0
 25 51  1  0  0  0  0
 26 52  1  0  0  0  0
 27 53  1  0  0  0  0
M  END

$$$$
D04MKK
  -OEChem-10101305032D

 35 36  0     1  0  0  0  0  0999 V2000
    3.7320    3.8770    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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 11 13  2  0  0  0  0
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 12 15  2  0  0  0  0
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 13 15  1  0  0  0  0
 13 26  1  0  0  0  0
 14 16  2  0  0  0  0
 14 27  1  0  0  0  0
 15 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
 18 20  2  0  0  0  0
 18 23  1  0  0  0  0
 18 24  1  0  0  0  0
 19 21  2  0  0  0  0
 20 21  1  0  0  0  0
 20 33  1  0  0  0  0
 23 34  1  0  0  0  0
M  END

$$$$
D04MKQ
  -OEChem-04152109262D

 19 19  0     0  0  0  0  0  0999 V2000
    3.7320    1.0950    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8660    0.5950    0.0000 C   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  8  1  0  0  0  0
  2 18  1  0  0  0  0
  3 19  1  0  0  0  0
  4  8  2  0  0  0  0
  4 17  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  9  1  0  0  0  0
  6 12  1  0  0  0  0
  7 10  2  0  0  0  0
  7 13  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
 10 15  1  0  0  0  0
 11 16  1  0  0  0  0
M  END

$$$$
D04MLE
          06060700082D 1   1.00000     0.00000     0

 33 35  0     1  0            999 V2000
    2.3751   -2.2293    0.0000 C   0  0  0  0  0  0           0  0  0
    3.2793   -2.2293    0.0000 C   0  0  0  0  0  0           0  0  0
    3.7293   -3.0125    0.0000 C   0  0  0  0  0  0           0  0  0
    3.2793   -3.7957    0.0000 C   0  0  0  0  0  0           0  0  0
    2.3751   -3.7957    0.0000 C   0  0  0  0  0  0           0  0  0
    1.9251   -3.0125    0.0000 N   0  0  0  0  0  0           0  0  0
    3.7293   -1.4541    0.0000 C   0  0  0  0  0  0           0  0  0
    4.6334   -1.4541    0.0000 O   0  0  0  0  0  0           0  0  0
    3.2793   -0.6706    0.0000 O   0  0  0  0  0  0           0  0  0
    1.9251   -4.5749    0.0000 N   0  0  0  0  0  0           0  0  0
    2.3751   -5.3581    0.0000 C   0  0  0  0  0  0           0  0  0
    3.2793   -5.3581    0.0000 O   0  0  0  0  0  0           0  0  0
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   -3.0334   -5.3581    0.0000 F   0  0  0  0  0  0           0  0  0
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    3.7293   -9.2662    0.0000 C   0  0  0  0  0  0           0  0  0
  2  1  1  0     0  0
  3  2  2  0     0  0
  4  3  1  0     0  0
  5  4  2  0     0  0
  6  5  1  0     0  0
  6  1  2  0     0  0
  7  8  2  0     0  0
  7  9  1  0     0  0
  2  7  1  0     0  0
 12 11  2  0     0  0
 14 13  1  0     0  0
 15 14  2  0     0  0
 16 15  1  0     0  0
 17 16  2  0     0  0
 18 17  1  0     0  0
 18 13  2  0     0  0
 11 13  1  0     0  0
 10 11  1  0     0  0
 21 20  1  0     0  0
 22 21  2  0     0  0
 23 22  1  0     0  0
 24 23  2  0     0  0
 25 24  1  0     0  0
 25 20  2  0     0  0
 19 20  1  0     0  0
 24 26  1  0     0  0
 22 27  1  0     0  0
 17 19  1  0     0  0
 30 29  1  0     0  0
 28 29  1  0     0  0
 31 32  1  0     0  0
 30 31  1  0     0  0
 29 33  1  6     0  0
 15 28  1  0     0  0
  5 10  1  0     0  0
M  END

$$$$
D04MLU
  -OEChem-10101305032D

 46 47  0     0  0  0  0  0  0999 V2000
    5.4641    4.9400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.4400    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    3.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    2.9400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.9400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.5981    0.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    4.4400    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
    3.7320   -1.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0000   -4.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  9  1  0  0  0  0
  1 39  1  0  0  0  0
  2  6  1  0  0  0  0
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  3  4  1  0  0  0  0
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  3 20  1  0  0  0  0
  4  7  1  0  0  0  0
  4 21  1  0  0  0  0
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  7 26  1  0  0  0  0
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  8 10  1  0  0  0  0
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 10 11  1  0  0  0  0
 10 33  1  0  0  0  0
 10 34  1  0  0  0  0
 11 12  1  0  0  0  0
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 12 13  1  0  0  0  0
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 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
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 14 40  1  0  0  0  0
 15 17  2  0  0  0  0
 15 41  1  0  0  0  0
 16 18  2  0  0  0  0
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 17 18  1  0  0  0  0
 17 43  1  0  0  0  0
 18 19  1  0  0  0  0
 19 44  1  0  0  0  0
 19 45  1  0  0  0  0
 19 46  1  0  0  0  0
M  END

$$$$
D04MMD
  -OEChem-10101305022D

142145  0     1  0  0  0  0  0999 V2000
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M  END

$$$$
D04MMG
  -OEChem-10101305022D

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 17 37  1  0  0  0  0
 18 21  2  0  0  0  0
 18 38  1  0  0  0  0
 19 24  2  0  0  0  0
 19 25  1  0  0  0  0
 20 26  2  0  0  0  0
 20 39  1  0  0  0  0
 21 26  1  0  0  0  0
 21 40  1  0  0  0  0
 22 30  1  0  0  0  0
 22 41  1  0  0  0  0
 23 31  2  0  0  0  0
 23 42  1  0  0  0  0
 24 27  1  0  0  0  0
 24 43  1  0  0  0  0
 25 28  2  0  0  0  0
 25 44  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 29  1  0  0  0  0
 28 47  1  0  0  0  0
 30 32  2  0  0  0  0
 30 48  1  0  0  0  0
 31 32  1  0  0  0  0
 31 49  1  0  0  0  0
 32 50  1  0  0  0  0
M  CHG  2   1  -1   8   1
M  END

$$$$
D04MSI
  -OEChem-10191522452D

 22 21  0     1  0  0  0  0  0999 V2000
    2.5369   -0.0950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331   -0.0950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    1.4050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    1.4050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -1.0950    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    0.4050    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.2690   -0.0950    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.0010   -0.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    1.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    0.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    0.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6720    0.7150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8059   -0.4050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6025   -0.5699    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3996   -0.5699    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7550    1.4050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    2.0250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5150    1.4050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.4050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8059   -1.4050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.2150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2700    0.2150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
  1 21  1  0  0  0  0
  2 11  1  0  0  0  0
  2 22  1  0  0  0  0
  3 10  2  0  0  0  0
  4 11  2  0  0  0  0
  5  7  1  0  0  0  0
  5 19  1  0  0  0  0
  5 20  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 12  1  0  0  0  0
  7 10  1  0  0  0  0
  7 13  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 16  1  0  0  0  0
  9 17  1  0  0  0  0
  9 18  1  0  0  0  0
M  END

$$$$
D04MVL
  -OEChem-10101305022D

 39 42  0     1  0  0  0  0  0999 V2000
    3.7817    1.7484    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2544   -1.2831    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    6.3961   -0.7862    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.3961    0.2138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5301   -1.2862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3062    0.7207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1198   -0.7989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5301    0.7138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1455    0.1924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6641   -0.7862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6641    0.2138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2470   -2.2831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3142    1.7623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5141    1.7553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7702    0.7485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7702   -1.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4121    2.2831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8641    0.2346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8641   -0.8070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.7380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3956   -1.6362    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1316   -1.7611    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9286   -1.7611    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3216   -1.3852    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7326   -0.7046    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7526    0.0665    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3772    0.7675    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6270   -2.2785    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2424   -2.9031    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8670   -2.2877    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8523    2.0702    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9736    2.0591    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7773   -1.9408    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4097    2.9031    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3284   -1.1191    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3121    1.2737    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4643    1.0500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6879    0.2022    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2484    2.0646    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  3  1  0  0  0  0
  2  7  1  0  0  0  0
  2 12  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3 21  1  1  0  0  0
  4  6  1  0  0  0  0
  4  8  2  0  0  0  0
  5 10  1  0  0  0  0
  5 22  1  0  0  0  0
  5 23  1  0  0  0  0
  6  9  1  0  0  0  0
  6 13  2  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 11  1  0  0  0  0
  8 14  1  0  0  0  0
  9 26  1  0  0  0  0
  9 27  1  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
 12 28  1  0  0  0  0
 12 29  1  0  0  0  0
 12 30  1  0  0  0  0
 13 17  1  0  0  0  0
 13 31  1  0  0  0  0
 14 17  2  0  0  0  0
 14 32  1  0  0  0  0
 15 18  2  0  0  0  0
 16 19  2  0  0  0  0
 16 33  1  0  0  0  0
 17 34  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 19 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
M  END

$$$$
D04MVR
  -OEChem-10191521352D

 43 46  0     0  0  0  0  0  0999 V2000
    9.1087    1.7114    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.9863    2.3104    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5814    0.5872    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.9737   -1.5596    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.9237   -0.6122    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9331    1.3559    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6087    0.1726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6087    0.1726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2997    1.1236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2937   -0.6122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9177    1.1236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2843    1.3559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6040    0.7989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9032   -0.4035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3142   -0.4035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6493    1.2222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2987    1.7511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9320    0.0583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6361    0.5872    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3213    1.9628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9547    0.2700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6720    1.4339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6342   -2.3104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9932   -1.7562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.6933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4902   -0.8658    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7273   -0.8658    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7153    2.2102    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1213   -0.5321    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.2420    0.7184    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1320    2.5532    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5380   -0.1892    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9065    2.0078    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1475    1.7645    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1687   -2.7199    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0437   -2.7760    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0997   -1.9009    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8713   -1.1483    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3853   -1.8781    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1151   -2.3641    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5408    1.1100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5834    0.2342    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4592    0.2767    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
  2 12  2  0  0  0  0
  3 12  1  0  0  0  0
  3 13  1  0  0  0  0
  3 14  1  0  0  0  0
  4 10  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 14  2  0  0  0  0
  6 11  2  0  0  0  0
  6 19  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
  9 12  1  0  0  0  0
 10 15  1  0  0  0  0
 13 17  2  0  0  0  0
 13 18  1  0  0  0  0
 14 26  1  0  0  0  0
 15 19  2  0  0  0  0
 15 27  1  0  0  0  0
 16 20  2  0  0  0  0
 16 21  1  0  0  0  0
 16 22  1  0  0  0  0
 17 20  1  0  0  0  0
 17 28  1  0  0  0  0
 18 21  2  0  0  0  0
 18 29  1  0  0  0  0
 19 30  1  0  0  0  0
 20 31  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
 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
 25 41  1  0  0  0  0
 25 42  1  0  0  0  0
 25 43  1  0  0  0  0
M  END

$$$$
D04MYC
  -OEChem-02041521332D

 30 33  0     1  0  0  0  0  0999 V2000
    5.8311   -0.3668    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.8476   -0.1620    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.6536   -2.1933    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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    5.0274    2.1158    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    5.3364    1.1648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7183    1.1648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1391    0.5784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2506   -1.1777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0274    2.1158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7029    0.9325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2559   -1.0749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6589   -2.0905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3424    2.9006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.7012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2 13  1  0  0  0  0
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 10 13  2  0  0  0  0
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 11 15  2  0  0  0  0
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 13 18  1  0  0  0  0
 14 19  2  0  0  0  0
 15 17  1  0  0  0  0
 15 25  1  0  0  0  0
 16 17  2  0  0  0  0
 16 26  1  0  0  0  0
 17 27  1  0  0  0  0
 18 20  2  0  0  0  0
 18 28  1  0  0  0  0
 19 20  1  0  0  0  0
 19 29  1  0  0  0  0
 20 30  1  0  0  0  0
M  END

$$$$
D04MYP
  -OEChem-10101305022D

 76 79  0     1  0  0  0  0  0999 V2000
    3.0084    0.5633    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.7913    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2774    3.4467    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -6.7913    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4853    4.4248    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1 15  2  0  0  0  0
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  3 21  2  0  0  0  0
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 18  7  1  6  0  0  0
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 17  8  1  1  0  0  0
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 24  9  1  1  0  0  0
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 10 32  1  0  0  0  0
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 18 51  1  0  0  0  0
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 20 23  1  0  0  0  0
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 22 25  2  0  0  0  0
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 25 30  1  0  0  0  0
 25 60  1  0  0  0  0
 26 31  2  0  0  0  0
 26 61  1  0  0  0  0
 27 34  1  0  0  0  0
 27 62  1  0  0  0  0
 28 35  2  0  0  0  0
 28 63  1  0  0  0  0
 29 37  2  0  0  0  0
 29 38  1  0  0  0  0
 30 33  2  0  0  0  0
 30 64  1  0  0  0  0
 31 33  1  0  0  0  0
 31 65  1  0  0  0  0
 34 36  2  0  0  0  0
 34 66  1  0  0  0  0
 35 36  1  0  0  0  0
 35 67  1  0  0  0  0
 36 68  1  0  0  0  0
 37 39  1  0  0  0  0
 37 69  1  0  0  0  0
 38 40  2  0  0  0  0
 38 70  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

$$$$
D04MYT
  -OEChem-10101305032D

 22 24  0     0  0  0  0  0  0999 V2000
    4.6783   -2.1279    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.3232    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3660    2.2156    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3660    2.2156    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.8232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.3232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.8232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.6768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783   -0.5185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.8232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2619   -1.3232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6750    1.2646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0570    1.2646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  7  1  0  0  0  0
  1 11  1  0  0  0  0
  1 17  1  0  0  0  0
  2  7  2  0  0  0  0
  2 13  1  0  0  0  0
  3  4  1  0  0  0  0
  3 12  1  0  0  0  0
  3 22  1  0  0  0  0
  4 14  2  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  5  9  1  0  0  0  0
  6  8  1  0  0  0  0
  6 10  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 15  1  0  0  0  0
 10 13  2  0  0  0  0
 10 16  1  0  0  0  0
 11 18  1  0  0  0  0
 12 19  1  0  0  0  0
 13 20  1  0  0  0  0
 14 21  1  0  0  0  0
M  END

$$$$
D04MZK
  -OEChem-10101305032D

 30 32  0     0  0  0  0  0  0999 V2000
    9.0327    2.1433    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    1.1488    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7320   -1.8512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.4641    1.1488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.5109    1.4852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  6  7  1  0  0  0  0
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  8 12  1  0  0  0  0
  8 21  1  0  0  0  0
  9 13  2  0  0  0  0
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 10 11  2  0  0  0  0
 10 23  1  0  0  0  0
 11 14  1  0  0  0  0
 11 24  1  0  0  0  0
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 12 25  1  0  0  0  0
 13 15  1  0  0  0  0
 13 26  1  0  0  0  0
 15 27  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  2  0  0  0  0
 18 19  1  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 30  1  0  0  0  0
M  END

$$$$
D04NAL
  -OEChem-04152109412D

 51 52  0     0  0  0  0  0  0999 V2000
    7.1962   -0.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5263    1.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.5263    0.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.3923   -1.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.2583    0.2500    0.0000 N   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
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    5.4641   -0.2500    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
    3.7320   -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
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    2.8660   -2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.6603    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3923   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2087    1.1423    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8101    1.8326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   13.2583    0.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  1  0  0  0  0
  1 19  1  0  0  0  0
  2 12  1  0  0  0  0
  2 39  1  0  0  0  0
  3 18  2  0  0  0  0
  4  5  1  0  0  0  0
  4 26  2  0  0  0  0
  5 27  2  0  0  0  0
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  9 28  1  0  0  0  0
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 10 13  1  0  0  0  0
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 13 32  1  0  0  0  0
 13 33  1  0  0  0  0
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 15 16  2  0  0  0  0
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 17 36  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
 19 21  2  0  0  0  0
 19 22  1  0  0  0  0
 20 40  1  0  0  0  0
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 20 42  1  0  0  0  0
 21 23  1  0  0  0  0
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 22 24  2  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 25  1  0  0  0  0
 24 46  1  0  0  0  0
 25 26  1  0  0  0  0
 26 47  1  0  0  0  0
M  END

$$$$
D04NBD
  -OEChem-10191522372D

 57 60  0     1  0  0  0  0  0999 V2000
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    3.7320   -2.0600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -0.5600    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
    8.0622    1.4400    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
    7.1962    0.9400    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    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
    9.7942    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
    8.9282    0.9400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6882    2.9747    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
    6.3301    2.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6882    0.9053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5942    2.4608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5942    1.4192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.3301    4.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    2.9400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.3301   -1.5600    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   -4.5600    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
    4.5981   -0.5600    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
    2.0000   -5.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    3.0600    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
    6.6592    1.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6810    3.5946    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    4.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    1.8200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6810    0.2854    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.1300    2.7729    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.1300    1.1071    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1 12  2  0  0  0  0
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  8 33  1  0  0  0  0
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 10 11  1  0  0  0  0
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 11 16  2  0  0  0  0
 13 17  1  0  0  0  0
 13 36  1  0  0  0  0
 14 20  1  0  0  0  0
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 15 21  2  0  0  0  0
 15 38  1  0  0  0  0
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 16 39  1  0  0  0  0
 17 18  2  0  0  0  0
 17 40  1  0  0  0  0
 18 41  1  0  0  0  0
 19 23  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 43  1  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 28  1  0  0  0  0
 24 44  1  0  0  0  0
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 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 46  1  0  0  0  0
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 28 32  1  0  0  0  0
 28 50  1  0  0  0  0
 28 51  1  0  0  0  0
 29 30  2  0  0  0  0
 29 31  1  0  0  0  0
 30 52  1  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
M  END

$$$$
D04NBE
  -OEChem-10101305022D

 14 13  0     0  0  0  0  0  0999 V2000
    5.4641    0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.5981    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1306    1.2250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3335    1.2250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.3100    1.2869    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    1.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900    0.2131    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    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 14  1  0  0  0  0
  2  5  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
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  1  0  0  0  0
  5  6  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

$$$$
D04NDO
  -OEChem-10101305032D

 41 43  0     0  0  0  0  0  0999 V2000
    4.5981    0.6900    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.8100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    2.1900    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    6.3301    0.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    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
    8.0622    1.6900    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   -1.3100    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
    6.3301   -2.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1 17  1  0  0  0  0
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 20 40  1  0  0  0  0
 21 41  1  0  0  0  0
M  END

$$$$
D04NGC
  -OEChem-10101305032D

 16 16  0     0  0  0  0  0  0999 V2000
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  1  5  1  0  0  0  0
  1  6  1  0  0  0  0
  2  6  1  0  0  0  0
  2 10  1  0  0  0  0
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 10 13  1  0  0  0  0
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 10 15  1  0  0  0  0
M  END

$$$$
D04NGL
  -OEChem-10191522512D

 48 49  0     1  0  0  0  0  0999 V2000
    3.7320   -0.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1 11  2  0  0  0  0
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 10 13  1  0  0  0  0
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 21 46  1  0  0  0  0
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 21 48  1  0  0  0  0
M  END

$$$$
D04NGS
  -OEChem-10191523052D

 39 41  0     0  0  0  0  0  0999 V2000
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    2.6387   -4.5243    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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    4.0281   -0.1745    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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 26 34  1  0  0  0  0
 27 37  1  0  0  0  0
M  END

$$$$
D04NJC
  -OEChem-10101305022D

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    3.1361   -0.2599    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0021    1.2401    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2711    0.3101    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8681    2.7401    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6740    1.1201    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2711    3.5501    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6231    3.9301    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0031    4.5501    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3831    3.9301    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 15  2  0  0  0  0
  2 21  1  0  0  0  0
  2 22  1  0  0  0  0
  3  5  1  0  0  0  0
  3 15  1  0  0  0  0
  3 38  1  0  0  0  0
  4 15  1  0  0  0  0
  4 16  1  0  0  0  0
  4 39  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
  6  9  1  0  0  0  0
  6 12  1  0  0  0  0
  6 13  1  0  0  0  0
  6 23  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 24  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 25  1  0  0  0  0
  9 26  1  0  0  0  0
  9 27  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 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
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
 17 40  1  0  0  0  0
 18 20  2  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 21  1  0  0  0  0
 20 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

$$$$
D04NKQ
  -OEChem-10101305022D

 38 40  0     0  0  0  0  0  0999 V2000
    2.0000   -2.8100    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.8100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    2.1900    0.0000 N   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    0.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    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
    8.0622    1.6900    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   -1.3100    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
    6.3301   -2.3100    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
    7.1962   -2.8100    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   -0.8100    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
    2.8660   -1.3100    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
    2.8660   -2.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6592   -0.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7196    0.7977    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1181    0.1074    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2742    0.1074    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6728    0.7977    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1181    2.2726    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7196    1.5823    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6728    1.5823    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2742    2.2726    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    2.8100    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
    5.7932   -2.6200    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
    7.1962   -3.4300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -2.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -1.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.4300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 20  1  0  0  0  0
  2 10  1  0  0  0  0
  2 15  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  3 30  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4  9  1  0  0  0  0
  4 21  1  0  0  0  0
  5  7  1  0  0  0  0
  5 22  1  0  0  0  0
  5 23  1  0  0  0  0
  6  8  1  0  0  0  0
  6 24  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 11  2  0  0  0  0
 10 12  2  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 14  2  0  0  0  0
 13 33  1  0  0  0  0
 14 34  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
 16 35  1  0  0  0  0
 17 19  2  0  0  0  0
 17 36  1  0  0  0  0
 18 20  2  0  0  0  0
 18 37  1  0  0  0  0
 19 20  1  0  0  0  0
 19 38  1  0  0  0  0
M  END

$$$$
D04NLG
  -OEChem-10101305032D

 49 51  0     1  0  0  0  0  0999 V2000
   10.9072    4.9297    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.8580    4.8441    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4510    9.0268    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5044    4.3060    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7988    2.3446    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2152    1.5398    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8224    7.5625    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.8719    7.8731    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.7666    5.5639    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2286    6.0666    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8150    5.2566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7022    8.1697    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9701    9.6126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8603    9.1571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9986    9.9186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5259    4.0998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2152    3.1493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2690    2.8446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2690    1.8446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    3.3446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    1.3446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5259    0.5893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5369    2.8446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5369    1.8446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9775    8.1628    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0339    8.4716    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8892    4.9562    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3844    5.6169    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6978    6.3868    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8090    5.6102    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2025    5.1606    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7981    7.5571    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3222    8.1686    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3244   10.1214    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5137   10.0322    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4589    8.9956    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0835    9.7355    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5515   10.1991    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7180   10.4715    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4456    9.6381    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9184    3.8446    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    3.9646    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    0.7246    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9366    0.3967    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7185    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1152    0.7819    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.1546    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.5346    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9072    4.9297    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 49  1  0  0  0  0
  2 16  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  3 15  1  0  0  0  0
  4 11  1  0  0  0  0
  4 16  1  0  0  0  0
  4 41  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 22  1  0  0  0  0
  7  9  1  0  0  0  0
  7 12  1  0  0  0  0
  7 25  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 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
 12 14  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 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
 15 40  1  0  0  0  0
 16 17  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
 20 23  1  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 44  1  0  0  0  0
 22 45  1  0  0  0  0
 22 46  1  0  0  0  0
 23 24  2  0  0  0  0
 23 47  1  0  0  0  0
 24 48  1  0  0  0  0
M  END

$$$$
D04NOT
  -OEChem-10191521442D

 10  9  0     0  0  0  0  0  0999 V2000
    4.5981    0.2500    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    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
    2.0000    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1306    1.2250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3335    1.2250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100    1.2869    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    1.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900    0.2131    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4  7  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
M  END

$$$$
D04NPE
  -OEChem-10191522472D

 46 49  0     1  0  0  0  0  0999 V2000
    4.2755    1.4744    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8716    0.9644    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5357   -0.5189    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0075    1.4677    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4075    0.9778    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9998   -0.5323    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2639   -1.5256    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1357   -0.0289    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.2678   -0.5256    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.9960   -1.5322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1280   -2.0289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8678   -0.0356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1396    0.9711    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4037   -0.0222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7318   -0.5389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5319   -0.5597    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6379   -0.0251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5319   -1.5597    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7318   -1.5806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3979   -0.0597    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6379   -2.0944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2639   -0.5597    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3979   -2.0597    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2639   -1.5597    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3818    0.9818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1739   -0.0529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2799    1.5095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1819    0.9887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6738    0.2790    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7296   -0.8335    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2058   -2.1157    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6070   -1.4269    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7277   -2.5023    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5247   -2.5054    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7258   -1.8335    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6451    0.5949    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1961   -1.8926    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6451   -2.7144    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3979   -2.6797    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2779    2.0944    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8008   -1.8697    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.2068    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8413    1.2855    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.7072   -0.3691    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2775    2.1295    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.7201    1.2966    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  1  0  0  0  0
  1 40  1  0  0  0  0
  2 12  2  0  0  0  0
  3 14  1  0  0  0  0
  3 42  1  0  0  0  0
  4 13  2  0  0  0  0
  5 14  2  0  0  0  0
  6  8  1  0  0  0  0
  6 10  1  0  0  0  0
  6 12  1  0  0  0  0
  7  9  1  0  0  0  0
  7 11  1  0  0  0  0
  7 35  1  0  0  0  0
  8  9  1  0  0  0  0
  8 13  1  6  0  0  0
  8 29  1  0  0  0  0
  9 14  1  6  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 15  1  0  0  0  0
 15 17  2  0  0  0  0
 15 19  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  2  0  0  0  0
 16 20  1  0  0  0  0
 17 36  1  0  0  0  0
 18 21  1  0  0  0  0
 18 23  1  0  0  0  0
 19 21  2  0  0  0  0
 19 37  1  0  0  0  0
 20 22  1  0  0  0  0
 20 25  2  0  0  0  0
 21 38  1  0  0  0  0
 22 24  1  0  0  0  0
 22 26  2  0  0  0  0
 23 24  2  0  0  0  0
 23 39  1  0  0  0  0
 24 41  1  0  0  0  0
 25 27  1  0  0  0  0
 25 43  1  0  0  0  0
 26 28  1  0  0  0  0
 26 44  1  0  0  0  0
 27 28  2  0  0  0  0
 27 45  1  0  0  0  0
 28 46  1  0  0  0  0
M  END

$$$$
D04NSN
  -OEChem-10101305022D

 25 25  0     0  0  0  0  0  0999 V2000
    3.4030    2.2500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.4030    2.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4030    2.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -3.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    3.2500    0.0000 N   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   -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   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -0.2500    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    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6150   -2.3326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0135   -1.6423    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8059   -0.5600    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
    2.3249   -1.6674    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9264   -2.3577    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8059    1.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.0600    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
    3.0739   -3.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9399    3.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    3.5600    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  5  1  0  0  0  0
  1  8  1  0  0  0  0
  4 11  1  0  0  0  0
  4 22  1  0  0  0  0
  4 23  1  0  0  0  0
  5 24  1  0  0  0  0
  5 25  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 11  1  0  0  0  0
  7 14  1  0  0  0  0
  7 15  1  0  0  0  0
  8 12  2  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
 10 13  2  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
 12 20  1  0  0  0  0
 13 21  1  0  0  0  0
M  END

$$$$
D04NSP
  -OEChem-10101305022D

 37 37  0     0  0  0  0  0  0999 V2000
    7.1962    3.0950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.9050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    5.0950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -5.4050    0.0000 O   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
    6.3301    4.5950    0.0000 N   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
    4.5981    0.5950    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
    3.7320    0.0950    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
    6.3301    3.5950    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   -2.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -4.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3860    2.1776    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9875    1.4873    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8101    0.0124    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2087    0.7027    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6762    1.5124    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0747    2.2027    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5200    0.6776    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1215   -0.0127    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2520    3.6776    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8535    2.9873    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   -2.5950    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -2.5950    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7932    4.9050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -4.2150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -4.2150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    5.7150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -5.7150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  2  0  0  0  0
  2 13  2  0  0  0  0
  3  6  1  0  0  0  0
  3 36  1  0  0  0  0
  4 19  1  0  0  0  0
  4 37  1  0  0  0  0
  5 10  1  0  0  0  0
  5 13  1  0  0  0  0
  5 30  1  0  0  0  0
  6 12  1  0  0  0  0
  6 33  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 11  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
 11 28  1  0  0  0  0
 11 29  1  0  0  0  0
 13 14  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 31  1  0  0  0  0
 16 18  2  0  0  0  0
 16 32  1  0  0  0  0
 17 19  2  0  0  0  0
 17 34  1  0  0  0  0
 18 19  1  0  0  0  0
 18 35  1  0  0  0  0
M  END

$$$$
D04NUZ
  -OEChem-04152110282D

467473  0     1  0  0  0  0  0999 V2000
   16.2399  -19.9016    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.4903  -18.8833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2139  -17.3782    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.5919  -14.0463    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.9766  -20.4648    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3155  -12.5412    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.7468  -17.8945    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.0440  -11.9974    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.4644  -14.1261    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6935   -9.2094    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.3853  -11.9331    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   25.1595  -15.0512    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   25.0300  -16.7784    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4172   -7.7042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.4008   -9.9565    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   25.7133    0.1752    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.8541    3.2645    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7952   -4.3724    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.5416   -6.8673    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.6979   -1.8014    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.5593    4.2200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.0200    6.5762    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   24.7156    9.2859    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   24.5570   -4.8906    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.7002    7.3093    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   27.6632   -0.2698    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   25.0104    8.3303    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   27.2777   -1.9584    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.8564   12.3752    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.6191    2.9110    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   26.1215   -7.0243    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5188   -2.8673    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.5617   13.3307    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.0474   15.9094    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.3325   16.7080    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   27.1415   13.1737    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.3576   16.9305    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   25.8719   14.3518    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.7526   16.8650    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.2383   19.4437    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.7777   17.0875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5581   18.7107    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8124   15.5559    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5928   17.1791    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0033   19.0902    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6584   19.6008    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8471   14.0244    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.0702  -18.3952    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   18.6930  -19.6583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.8575  -17.2710    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.2938  -16.0240    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.8792  -13.7882    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   21.3159  -18.3952    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.3955  -11.1870    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.2399  -19.0840    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   17.2375  -13.2810    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   21.9637  -15.5570    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   21.6550  -13.1112    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.9808   -8.9512    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2573  -10.4126    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   21.7457  -10.4670    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4971   -6.3501    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   23.4687    1.5758    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   24.0582   -0.3353    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   22.8113   -8.0454    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   21.9042    3.7095    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0825   -4.1143    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   22.9019   -5.4012    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   23.9675   -2.9795    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   22.9698    6.1312    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   24.1261   11.1971    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   23.0605    8.7754    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2899   -5.2103    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   24.2168   13.8413    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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M  END

$$$$
D04NWI
  -OEChem-10101305022D

 36 37  0     1  0  0  0  0  0999 V2000
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M  END

$$$$
D04NYQ
  -OEChem-10101305022D

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 58 65  2  0  0  0  0
 58112  1  0  0  0  0
 59 65  1  0  0  0  0
 59113  1  0  0  0  0
 60 70  1  0  0  0  0
 60114  1  0  0  0  0
 61 71  2  0  0  0  0
 61115  1  0  0  0  0
 62 66  2  0  0  0  0
 62116  1  0  0  0  0
 63 66  1  0  0  0  0
 63117  1  0  0  0  0
 64 72  1  0  0  0  0
 65118  1  0  0  0  0
 67 76  1  0  0  0  0
 67120  1  0  0  0  0
 67121  1  0  0  0  0
 68122  1  0  0  0  0
 69123  1  0  0  0  0
 69124  1  0  0  0  0
 69125  1  0  0  0  0
 70 74  2  0  0  0  0
 70126  1  0  0  0  0
 71 74  1  0  0  0  0
 71127  1  0  0  0  0
 72128  1  0  0  0  0
 75131  1  0  0  0  0
 76 77  3  0  0  0  0
 77138  1  0  0  0  0
M  CHG  2  26   1  27  -1
M  END

$$$$
D04NZF
  -OEChem-04152109142D

 47 49  0     0  0  0  0  0  0999 V2000
    5.0970    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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    6.9840    4.4148    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    3.9423    6.4834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.3243    6.4834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6333    5.5324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1333    8.0712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3183    4.7476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.3089    6.7157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.2744    3.3316    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9208    5.0272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5871    4.2815    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.4780    3.8841    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    7.8803    3.0933    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   10.6875    2.8692    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1147    5.6161    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1940    4.4080    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0970    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 47  1  0  0  0  0
  2  5  1  0  0  0  0
  2  7  1  0  0  0  0
  2  9  1  0  0  0  0
  3 16  1  0  0  0  0
  3 20  1  0  0  0  0
  3 40  1  0  0  0  0
  4 21  1  0  0  0  0
  4 24  2  0  0  0  0
  5  6  2  0  0  0  0
  5 12  1  0  0  0  0
  6  8  1  0  0  0  0
  6 10  1  0  0  0  0
  7  8  1  0  0  0  0
  7 14  2  0  0  0  0
  8 15  2  0  0  0  0
  9 17  1  0  0  0  0
  9 26  1  0  0  0  0
  9 27  1  0  0  0  0
 10 11  2  0  0  0  0
 10 28  1  0  0  0  0
 11 13  1  0  0  0  0
 11 16  1  0  0  0  0
 12 13  2  0  0  0  0
 12 29  1  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 19  1  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
 17 35  1  0  0  0  0
 17 36  1  0  0  0  0
 17 37  1  0  0  0  0
 18 19  2  0  0  0  0
 18 38  1  0  0  0  0
 19 39  1  0  0  0  0
 20 21  1  0  0  0  0
 20 41  1  0  0  0  0
 20 42  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  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 46  1  0  0  0  0
M  END

$$$$
D04ODG
  -OEChem-10101305022D

 37 38  0     0  0  0  0  0  0999 V2000
    2.0000    0.3099    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4142    0.3099    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7071   -0.3972    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7071    1.0170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4142    1.7241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    1.7241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4142    0.3099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    0.3099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1554    2.6901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0341    1.4653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8625    3.3972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1895    2.9489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7071   -1.3972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8411   -1.8972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8411   -2.8972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7071   -3.3972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7698    1.2163    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    3.5079    2.0798    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7380    2.2860    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.5906    3.1094    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1  8  2  0  0  0  0
  2  7  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  3 13  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  5 19  1  0  0  0  0
  5 20  1  0  0  0  0
  6 10  1  0  0  0  0
  6 21  1  0  0  0  0
  6 22  1  0  0  0  0
  9 11  1  0  0  0  0
  9 12  1  0  0  0  0
  9 23  1  0  0  0  0
 10 24  1  0  0  0  0
 10 25  1  0  0  0  0
 10 26  1  0  0  0  0
 11 27  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
 12 32  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 33  1  0  0  0  0
 15 17  2  0  0  0  0
 15 34  1  0  0  0  0
 16 18  2  0  0  0  0
 16 35  1  0  0  0  0
 17 18  1  0  0  0  0
 17 36  1  0  0  0  0
 18 37  1  0  0  0  0
M  END

$$$$
D04OGZ
          01210517102D 1   1.00000     0.00000     0

 44 49  0     0  0            999 V2000
    2.3792   -1.4292    0.0000 C   0  0  0  0  0  0           0  0  0
    7.6292   -2.4542    0.0000 C   0  0  0  0  0  0           0  0  0
    7.2167   -3.0292    0.0000 N   0  0  0  0  0  0           0  0  0
    2.7917   -0.8417    0.0000 N   0  0  0  0  0  0           0  0  0
    2.8042   -2.0000    0.0000 N   0  0  0  0  0  0           0  0  0
    7.2167   -1.8792    0.0000 N   0  0  0  0  0  0           0  0  0
    6.5417   -2.1000    0.0000 C   0  0  0  0  0  0           0  0  0
    3.4792   -1.7667    0.0000 C   0  0  0  0  0  0           0  0  0
    6.5417   -2.8042    0.0000 C   0  0  0  0  0  0           0  0  0
    3.4667   -1.0542    0.0000 C   0  0  0  0  0  0           0  0  0
    5.3167   -2.1000    0.0000 C   0  0  0  0  0  0           0  0  0
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    8.6875   -1.8375    0.0000 C   0  0  0  0  0  0           0  0  0
    0.6417   -3.2917    0.0000 N   0  0  3  0  0  0           0  0  0
    9.3917   -4.2792    0.0000 N   0  0  3  0  0  0           0  0  0
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    0.6292   -2.0667    0.0000 C   0  0  0  0  0  0           0  0  0
   10.4542   -3.6750    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.4333   -2.6917    0.0000 C   0  0  0  0  0  0           0  0  0
   10.4542   -2.4417    0.0000 O   0  0  0  0  0  0           0  0  0
   -0.4458   -1.4667    0.0000 O   0  0  0  0  0  0           0  0  0
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    0.2792   -2.6875    0.0000 C   0  0  0  0  0  0           0  0  0
   10.8125   -3.0625    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.7958   -2.0917    0.0000 C   0  0  0  0  0  0           0  0  0
    0.3000   -3.9125    0.0000 C   0  0  0  0  0  0           0  0  0
    1.3542   -3.2792    0.0000 C   0  0  0  0  0  0           0  0  0
    8.6792   -4.2792    0.0000 C   0  0  0  0  0  0           0  0  0
    9.7417   -4.9000    0.0000 C   0  0  0  0  0  0           0  0  0
  2  6  1  0     0  0
  3  9  1  0     0  0
  4  1  2  0     0  0
  5  1  1  0     0  0
  6  7  1  0     0  0
  7 13  2  0     0  0
  8  5  1  0     0  0
  9 18  2  0     0  0
 10  4  1  0     0  0
 11 12  1  0     0  0
 12 14  1  0     0  0
 13 11  1  0     0  0
 14  8  2  0     0  0
 15  1  1  0     0  0
 16  2  1  0     0  0
 17 10  2  0     0  0
 18 19  1  0     0  0
 19 11  2  0     0  0
 20 17  1  0     0  0
 21 15  1  0     0  0
 22 15  2  0     0  0
 23 16  2  0     0  0
 24 16  1  0     0  0
 25 38  1  0     0  0
 26 37  1  0     0  0
 27 29  1  0     0  0
 28 30  2  0     0  0
 29 24  2  0     0  0
 30 22  1  0     0  0
 31 23  1  0     0  0
 32 21  2  0     0  0
 33 39  1  0     0  0
 34 40  1  0     0  0
 35 27  1  0     0  0
 36 28  1  0     0  0
 37 33  1  0     0  0
 38 34  1  0     0  0
 39 35  1  0     0  0
 40 36  1  0     0  0
 41 25  1  0     0  0
 42 25  1  0     0  0
 43 26  1  0     0  0
 44 26  1  0     0  0
 10  8  1  0     0  0
 32 28  1  0     0  0
 20 12  2  0     0  0
  9  7  1  0     0  0
  2  3  2  0     0  0
 27 31  2  0     0  0
M  END

$$$$
D04OHM
  -OEChem-10101305022D

 38 40  0     0  0  0  0  0  0999 V2000
    7.9128    2.8450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4487   -3.1550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5827    1.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4782    2.3395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6691    0.9383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5000    2.5474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.6814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4487    0.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4487   -0.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3147    1.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1808    0.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5827   -0.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3147    2.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  4 21  1  0  0  0  0
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  6  7  1  0  0  0  0
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  7 27  1  0  0  0  0
  7 28  1  0  0  0  0
  8  9  1  0  0  0  0
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  9 14  1  0  0  0  0
 10 11  2  0  0  0  0
 10 13  1  0  0  0  0
 11 16  1  0  0  0  0
 11 29  1  0  0  0  0
 12 15  1  0  0  0  0
 12 30  1  0  0  0  0
 13 18  2  0  0  0  0
 13 31  1  0  0  0  0
 14 17  2  0  0  0  0
 14 32  1  0  0  0  0
 15 19  2  0  0  0  0
 15 33  1  0  0  0  0
 16 20  2  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  1  0  0  0  0
 18 36  1  0  0  0  0
M  END

$$$$
D04OMK
  -OEChem-10101305022D

 42 43  0     0  0  0  0  0  0999 V2000
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    2.0000   -5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -6.0000    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
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    8.0622    4.5000    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
    3.0781   -5.0826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1  9  1  0  0  0  0
  1 11  1  0  0  0  0
  2  5  1  0  0  0  0
  2 17  1  0  0  0  0
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  5 20  2  0  0  0  0
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  6 23  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 10  1  0  0  0  0
  8 26  1  0  0  0  0
  8 27  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
 10 32  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 33  1  0  0  0  0
 13 16  2  0  0  0  0
 13 34  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 15 35  1  0  0  0  0
 16 36  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 18 21  2  0  0  0  0
 19 22  2  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 23  1  0  0  0  0
 22 41  1  0  0  0  0
 23 42  1  0  0  0  0
M  END

$$$$
D04OOK
  -OEChem-10101305022D

 55 57  0     0  0  0  0  0  0999 V2000
    5.4641   -0.5000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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 10 13  1  0  0  0  0
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 11 15  2  0  0  0  0
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 14 37  1  0  0  0  0
 15 21  1  0  0  0  0
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 16 22  2  0  0  0  0
 16 39  1  0  0  0  0
 17 23  2  0  0  0  0
 17 40  1  0  0  0  0
 18 26  1  0  0  0  0
 18 41  1  0  0  0  0
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 19 42  1  0  0  0  0
 20 24  2  0  0  0  0
 20 43  1  0  0  0  0
 21 25  2  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
 23 25  1  0  0  0  0
 23 46  1  0  0  0  0
 24 29  1  0  0  0  0
 25 30  1  0  0  0  0
 26 28  2  0  0  0  0
 26 47  1  0  0  0  0
 27 28  1  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
 30 53  1  0  0  0  0
 30 54  1  0  0  0  0
 30 55  1  0  0  0  0
M  END

$$$$
D04OPE
  -OEChem-10191522422D

 44 47  0     0  0  0  0  0  0999 V2000
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 26 43  1  0  0  0  0
 27 28  1  0  0  0  0
 27 44  1  0  0  0  0
M  END

$$$$
D04OQZ
  -OEChem-04152109002D

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  1  5  1  0  0  0  0
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 10  2  1  1  0  0  0
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 11  3  1  6  0  0  0
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 12  4  1  1  0  0  0
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 14 20  1  0  0  0  0
 14 21  1  0  0  0  0
M  END

$$$$
D04ORV
  -OEChem-10101305022D

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M  END

$$$$
D04ORY
  -OEChem-10101305032D

 32 33  0     0  0  0  0  0  0999 V2000
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 18 30  1  0  0  0  0
M  END

$$$$
D04OSU
  -OEChem-10101305032D

143148  0     1  0  0  0  0  0999 V2000
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 67143  1  0  0  0  0
M  END

$$$$
D04OTF
  -OEChem-10101305022D

 27 27  0     0  0  0  0  0  0999 V2000
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 14 15  2  0  0  0  0
 14 22  1  0  0  0  0
 15 23  1  0  0  0  0
M  END

$$$$
D04OUJ
  -OEChem-10101305032D

 52 51  0     0  0  0  0  0  0999 V2000
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 16 37  1  0  0  0  0
 16 38  1  0  0  0  0
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 17 40  1  0  0  0  0
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 20 22  1  0  0  0  0
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 21 47  1  0  0  0  0
 21 48  1  0  0  0  0
 22 49  1  0  0  0  0
 22 50  1  0  0  0  0
M  END

$$$$
D04OWX
  -OEChem-10101305022D

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 15  2  1  1  0  0  0
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 14  7  1  6  0  0  0
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 29 35  1  0  0  0  0
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 30 34  1  0  0  0  0
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 31 39  2  0  0  0  0
 31 63  1  0  0  0  0
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 36 68  1  0  0  0  0
 37 40  1  0  0  0  0
 37 69  1  0  0  0  0
 38 41  1  0  0  0  0
 38 70  1  0  0  0  0
 39 42  1  0  0  0  0
 39 71  1  0  0  0  0
 40 72  1  0  0  0  0
 41 73  1  0  0  0  0
 42 74  1  0  0  0  0
M  END

$$$$
D04OXY
  -OEChem-10101305022D

 22 23  0     0  0  0  0  0  0999 V2000
    2.8660   -1.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.5981    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  8  1  0  0  0  0
  1 14  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  2  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
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  5 10  2  0  0  0  0
  6  8  1  0  0  0  0
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 10 13  1  0  0  0  0
 10 16  1  0  0  0  0
 11 17  1  0  0  0  0
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 13 19  1  0  0  0  0
 14 20  1  0  0  0  0
 14 21  1  0  0  0  0
 14 22  1  0  0  0  0
M  END

$$$$
D04PAW
  -OEChem-10101305022D

 77 80  0     1  0  0  0  0  0999 V2000
   13.8439   -1.3321    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 42 43  1  0  0  0  0
 42 44  1  0  0  0  0
M  END

$$$$
D04PBA
  -OEChem-10101305022D

 40 42  0     0  0  0  0  0  0999 V2000
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 19 38  1  0  0  0  0
 20 39  1  0  0  0  0
M  END

$$$$
D04PBD
  -OEChem-10191522252D

 44 47  0     0  0  0  0  0  0999 V2000
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 25 44  1  0  0  0  0
M  END

$$$$
D04PBI
  -OEChem-10101305022D

 30 29  0     1  0  0  0  0  0999 V2000
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 13 26  1  0  0  0  0
 13 27  1  0  0  0  0
M  END

$$$$
D04PBZ
  -OEChem-10101305022D

 27 28  0     0  0  0  0  0  0999 V2000
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 10 12  2  0  0  0  0
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 11 13  1  0  0  0  0
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 16 27  1  0  0  0  0
M  END

$$$$
D04PDF
  BIDD-NUS20110812001D

 54 57  0     0  0            999 V2000
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M  ENDM  END

$$$$
D04PEI
  -OEChem-10101305022D

 84 87  0     1  0  0  0  0  0999 V2000
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M  END

$$$$
D04PEM
  -OEChem-04152110262D

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140279  1  0  0  0  0
140280  1  0  0  0  0
141281  1  0  0  0  0
142282  1  0  0  0  0
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143144  1  0  0  0  0
143147  1  0  0  0  0
143285  1  0  0  0  0
145287  1  0  0  0  0
146154  1  0  0  0  0
146288  1  0  0  0  0
146289  1  0  0  0  0
147153  1  0  0  0  0
147292  1  0  0  0  0
148149  1  0  0  0  0
148152  1  0  0  0  0
148293  1  0  0  0  0
149151  1  0  0  0  0
149294  1  0  0  0  0
149295  1  0  0  0  0
151155  1  0  0  0  0
151156  1  0  0  0  0
151297  1  0  0  0  0
153298  1  0  0  0  0
153299  1  0  0  0  0
153300  1  0  0  0  0
155301  1  0  0  0  0
155302  1  0  0  0  0
155303  1  0  0  0  0
156304  1  0  0  0  0
156305  1  0  0  0  0
156306  1  0  0  0  0
M  END

$$$$
D04PFN
  -OEChem-10121500212D

 28 28  0     1  0  0  0  0  0999 V2000
    6.0503   -2.3148    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    6.5855   -0.6675    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1882    2.1337    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    4.4656    2.3148    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0823   -1.6154    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5823   -0.0766    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.5823   -0.0766    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8913   -1.0276    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.2733   -1.0276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1701    0.7325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9945    0.7325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8424   -1.3366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.6279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2746    1.7270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8900    1.7270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1947   -0.1735    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9699   -0.1735    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9883   -1.6400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7069   -0.7754    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9633   -1.5645    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0823   -2.2354    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5168    0.2185    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5913    0.9547    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9352    1.2445    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3834    0.5631    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0648    0.0113    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3916    2.0914    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3236    1.9792    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  1  0  0  0  0
  2 12  2  0  0  0  0
  3 14  1  0  0  0  0
  4 14  2  0  0  0  0
  5  8  1  0  0  0  0
  5  9  1  0  0  0  0
  5 21  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6 10  1  6  0  0  0
  6 16  1  0  0  0  0
  7  9  1  0  0  0  0
  7 11  1  6  0  0  0
  7 17  1  0  0  0  0
  8 12  1  1  0  0  0
  8 18  1  0  0  0  0
  9 19  1  0  0  0  0
  9 20  1  0  0  0  0
 10 14  1  0  0  0  0
 10 22  1  0  0  0  0
 10 23  1  0  0  0  0
 11 13  1  0  0  0  0
 11 15  2  0  0  0  0
 13 24  1  0  0  0  0
 13 25  1  0  0  0  0
 13 26  1  0  0  0  0
 15 27  1  0  0  0  0
 15 28  1  0  0  0  0
M  CHG  2   1  -1   3  -1
M  END

$$$$
D04PGW
  -OEChem-10101305032D

197197  0     1  0  0  0  0  0999 V2000
    9.4865   -5.6277    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1002   -4.9728    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.2354   -3.3565    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.9991   -0.3017    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5889   -4.6375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9840    4.2056    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.8313    3.2216    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0470    6.7383    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4941    4.3042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8162   -2.4571    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5106    7.4058    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6625    0.8763    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.7852    6.0949    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.7593   -3.2509    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.9155   -4.0859    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.7002   -1.0110    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.1220    1.9227    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0717   -3.2509    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4336    6.2211    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7090    1.9227    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9402    4.6187    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1308   -1.0110    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.8908    4.6187    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.3974    6.2211    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.8705   -3.7091    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   14.2002   -1.8770    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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M  END

$$$$
D04PHG
  -OEChem-04152109372D

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M  END

$$$$
D04PHR
  -OEChem-10101305032D

 40 43  0     0  0  0  0  0  0999 V2000
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 23 39  1  0  0  0  0
 23 40  1  0  0  0  0
M  END

$$$$
D04PJO
  -OEChem-10101305022D

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    1.4631    1.2924    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  8  1  0  0  0  0
  1 10  1  0  0  0  0
  2  7  2  0  0  0  0
  3  9  1  0  0  0  0
  3 11  2  0  0  0  0
  4 11  1  0  0  0  0
  4 31  1  0  0  0  0
  4 32  1  0  0  0  0
  5  6  1  0  0  0  0
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  5  8  2  0  0  0  0
  6  9  1  0  0  0  0
  6 12  2  0  0  0  0
  7 11  1  0  0  0  0
  8 22  1  0  0  0  0
  9 14  2  0  0  0  0
 10 13  1  0  0  0  0
 10 15  2  0  0  0  0
 12 17  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
 14 18  1  0  0  0  0
 14 25  1  0  0  0  0
 15 19  1  0  0  0  0
 15 26  1  0  0  0  0
 16 20  1  0  0  0  0
 16 21  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
 19 20  2  0  0  0  0
 19 29  1  0  0  0  0
 20 30  1  0  0  0  0
 21 33  1  0  0  0  0
 21 34  1  0  0  0  0
 21 35  1  0  0  0  0
M  END

$$$$
D04PKD
  -OEChem-10101305022D

 45 47  0     1  0  0  0  0  0999 V2000
    8.0678   -0.6262    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1705   -2.2400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3785   -3.1862    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8615    0.3291    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0248   -2.6481    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.5743    1.4881    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1216   -1.9310    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.1216   -0.9310    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.0678   -2.2357    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.1705   -0.6219    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.6514   -1.4310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5827   -1.4310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3570   -3.3924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8834    0.5370    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6676   -4.3430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5962    1.6960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6461   -4.5492    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2872    2.6470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3090    2.8550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9563    3.3902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    3.8060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6473    4.3413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6691    4.5492    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1227   -2.7810    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1227   -0.0810    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6803   -2.3319    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6089   -0.1835    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1123   -1.8457    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1123   -1.0162    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1220   -1.0161    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1220   -1.8458    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0538   -4.4303    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6470   -4.9626    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9892    1.9488    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   10.5183   -5.1558    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2528   -4.6770    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7740   -3.9425    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8942    2.3942    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5628    3.2613    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3936    3.9349    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0621    4.8020    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4775    5.1388    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  1 12  1  0  0  0  0
  2  8  1  0  0  0  0
  2 13  1  0  0  0  0
 10  3  1  1  0  0  0
  3 14  1  0  0  0  0
 11  4  1  6  0  0  0
  4 15  1  0  0  0  0
  5 14  2  0  0  0  0
  6 15  2  0  0  0  0
  7 15  1  0  0  0  0
  7 17  1  0  0  0  0
  7 35  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 25  1  6  0  0  0
  9 11  1  0  0  0  0
  9 26  1  6  0  0  0
 10 12  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
 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 16  1  0  0  0  0
 16 18  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 36  1  0  0  0  0
 17 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 20  2  0  0  0  0
 19 21  1  0  0  0  0
 20 22  1  0  0  0  0
 20 41  1  0  0  0  0
 21 23  2  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

$$$$
D04PKE
  -OEChem-04152110342D

 28 28  0     1  0  0  0  0  0999 V2000
    4.5981    3.0000    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
    2.8660   -3.0000    0.0000 N   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
    2.8660    2.0000    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
    2.8660    0.0000    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
    4.5981    0.0000    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   -1.5000    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
    3.7320   -2.5000    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
    3.7320    2.1200    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
    2.3291    0.3100    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
    4.2881   -0.5369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -0.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9081    0.5369    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
    1.4631   -1.1900    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   -2.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  4  1  0  0  0  0
  3 13  2  0  0  0  0
  3 14  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4 15  1  0  0  0  0
  5  8  1  0  0  0  0
  5 16  1  0  0  0  0
  5 17  1  0  0  0  0
  6  7  2  0  0  0  0
  6  9  1  0  0  0  0
  7 10  1  0  0  0  0
  7 18  1  0  0  0  0
  8 19  1  0  0  0  0
  8 20  1  0  0  0  0
  8 21  1  0  0  0  0
  9 22  1  0  0  0  0
  9 23  1  0  0  0  0
  9 24  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 11 13  1  0  0  0  0
 11 25  1  0  0  0  0
 12 14  2  0  0  0  0
 12 26  1  0  0  0  0
 13 27  1  0  0  0  0
 14 28  1  0  0  0  0
M  END

$$$$
D04PKP
  -OEChem-10101305022D

 31 34  0     0  0  0  0  0  0999 V2000
    5.5321   -2.4719    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000    1.5281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3009    2.9524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660    2.0281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3073    2.9719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9061    2.0627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000    0.5281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660    0.0281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321    1.5281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.5489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321    0.5281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9061   -0.0066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.5072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660   -0.9719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000   -1.4719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321   -1.4719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000   -2.4719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660   -2.9719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0690   -1.1619    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2631   -2.7819    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660   -3.5919    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 16  1  0  0  0  0
  1 18  2  0  0  0  0
  2  4  1  0  0  0  0
  2  6  2  0  0  0  0
  2  7  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3 19  1  0  0  0  0
  3 20  1  0  0  0  0
  4  9  2  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 10  1  0  0  0  0
  7  8  1  0  0  0  0
  7 12  2  0  0  0  0
  8 11  2  0  0  0  0
  8 14  1  0  0  0  0
  9 11  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 25  1  0  0  0  0
 12 13  1  0  0  0  0
 12 26  1  0  0  0  0
 13 27  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  2  0  0  0  0
 15 17  2  0  0  0  0
 15 28  1  0  0  0  0
 16 29  1  0  0  0  0
 17 18  1  0  0  0  0
 17 30  1  0  0  0  0
 18 31  1  0  0  0  0
M  END

$$$$
D04PLB
  -OEChem-10101305022D

 27 28  0     0  0  0  0  0  0999 V2000
    2.0000   -1.5000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.5000    0.0000 N   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    2.0000    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
    6.3301    2.0000    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
    5.4641    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    3.0000    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
    2.8660    0.0000    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
    2.8660   -1.0000    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
    3.7320   -1.5000    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
    6.8671    1.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0611    3.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0841    0.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    3.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    4.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291    0.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    5.1350   -1.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 14  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3 17  3  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  8  2  0  0  0  0
  6 12  2  0  0  0  0
  6 13  1  0  0  0  0
  7 10  1  0  0  0  0
  7 18  1  0  0  0  0
  8 11  1  0  0  0  0
  8 19  1  0  0  0  0
  9 20  1  0  0  0  0
  9 21  1  0  0  0  0
  9 22  1  0  0  0  0
 10 11  2  0  0  0  0
 10 23  1  0  0  0  0
 11 24  1  0  0  0  0
 12 14  1  0  0  0  0
 12 25  1  0  0  0  0
 13 15  2  0  0  0  0
 13 26  1  0  0  0  0
 14 16  2  0  0  0  0
 15 16  1  0  0  0  0
 15 27  1  0  0  0  0
 16 17  1  0  0  0  0
M  END

$$$$
D04PLH
  -OEChem-10121500272D

 40 43  0     0  0  0  0  0  0999 V2000
    3.7320   -0.5000    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
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    3.7320    3.5000    0.0000 N   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
    6.3301    2.0000    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    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
    7.2241    0.4653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2241    2.5347    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
    8.1301    0.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.4631    2.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    1.4631    3.8100    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
  1 15  2  0  0  0  0
  2  7  2  0  0  0  0
  2  9  1  0  0  0  0
  3  7  1  0  0  0  0
  3 15  1  0  0  0  0
  3 29  1  0  0  0  0
  4 12  1  0  0  0  0
  4 21  2  0  0  0  0
  5  6  1  0  0  0  0
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  5 10  2  0  0  0  0
  6  8  1  0  0  0  0
  6 11  2  0  0  0  0
  8  9  2  0  0  0  0
  8 26  1  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
 11 14  1  0  0  0  0
 11 28  1  0  0  0  0
 12 17  2  0  0  0  0
 13 14  2  0  0  0  0
 13 30  1  0  0  0  0
 14 31  1  0  0  0  0
 15 16  1  0  0  0  0
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 17 32  1  0  0  0  0
 18 22  1  0  0  0  0
 18 33  1  0  0  0  0
 19 23  2  0  0  0  0
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 20 24  2  0  0  0  0
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 21 36  1  0  0  0  0
 22 25  2  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 39  1  0  0  0  0
 25 40  1  0  0  0  0
M  END

$$$$
D04PMA
  -OEChem-10101305022D

 40 39  0     0  0  0  0  0  0999 V2000
    2.0000   -0.8170    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.3660    0.5490    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.3660   -1.1830    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.1830    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    0.1830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -0.3170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942   -0.3170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    0.1830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603    0.1830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.3170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5263   -0.3170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.1830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3923    0.1830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.3170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2583   -0.3170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.1830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.3170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6636   -0.7919    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   10.1928   -0.7919    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   11.9938    0.6580    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   13.5683    0.2199    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 17  1  0  0  0  0
  2 17  1  0  0  0  0
  3 17  1  0  0  0  0
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  5  6  1  0  0  0  0
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  5 20  1  0  0  0  0
  5 21  1  0  0  0  0
  6  8  1  0  0  0  0
  6 18  1  0  0  0  0
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  7 22  1  0  0  0  0
  7 23  1  0  0  0  0
  8 10  1  0  0  0  0
  8 24  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
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 10 12  1  0  0  0  0
 10 28  1  0  0  0  0
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 11 13  1  0  0  0  0
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 13 15  1  0  0  0  0
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 15 38  1  0  0  0  0
 15 39  1  0  0  0  0
 15 40  1  0  0  0  0
 16 17  1  0  0  0  0
M  END

$$$$
D04PMX
  -OEChem-10101305032D

 20 21  0     0  0  0  0  0  0999 V2000
    3.7320   -1.6550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.3450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  5  1  0  0  0  0
  1 19  1  0  0  0  0
  2  9  1  0  0  0  0
  2 20  1  0  0  0  0
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 10 16  1  0  0  0  0
 11 12  2  0  0  0  0
 11 17  1  0  0  0  0
 12 18  1  0  0  0  0
M  END

$$$$
D04PNC
  -OEChem-10101305022D

 41 42  0     0  0  0  0  0  0999 V2000
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 15 38  1  0  0  0  0
 16 18  2  0  0  0  0
 16 39  1  0  0  0  0
 17 18  1  0  0  0  0
 17 40  1  0  0  0  0
 18 41  1  0  0  0  0
M  END

$$$$
D04POA
  -OEChem-10101305022D

 73 76  0     1  0  0  0  0  0999 V2000
    3.0084    0.8083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2774    3.6917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1 20  2  0  0  0  0
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 19  8  1  6  0  0  0
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 10 25  1  0  0  0  0
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 19 53  1  0  0  0  0
 22 24  1  0  0  0  0
 23 27  1  0  0  0  0
 23 55  1  0  0  0  0
 23 56  1  0  0  0  0
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 26 28  1  0  0  0  0
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 31 36  1  0  0  0  0
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 35 70  1  0  0  0  0
 36 38  2  0  0  0  0
 36 71  1  0  0  0  0
 37 38  1  0  0  0  0
 37 72  1  0  0  0  0
M  END

$$$$
D04POB
  -OEChem-10101305032D

 24 24  0     0  0  0  0  0  0999 V2000
    3.7320    2.0950    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.7320    2.0950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7320    2.0950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.9050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7320   -0.9050    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
    4.5981    0.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  1  3  2  0  0  0  0
  1  6  1  0  0  0  0
  1  7  1  0  0  0  0
  4 13  2  0  0  0  0
  5  8  1  0  0  0  0
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 10 12  2  0  0  0  0
 10 16  1  0  0  0  0
 11 17  1  0  0  0  0
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 13 14  1  0  0  0  0
 14 22  1  0  0  0  0
 14 23  1  0  0  0  0
 14 24  1  0  0  0  0
M  END

$$$$
D04POR
  -OEChem-10191522472D

 74 78  0     1  0  0  0  0  0999 V2000
    2.8641   -4.8590    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END

$$$$
D04PPP
  -OEChem-10101305022D

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 52112  1  0  0  0  0
M  END

$$$$
D04PQN
  -OEChem-10101305022D

 40 42  0     0  0  0  0  0  0999 V2000
    6.0531   -0.2636    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3673   -1.5460    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.2631    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.7631    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4103   -3.5678    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0102    0.1489    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.7631    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    5.4641   -2.2631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -3.2631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4103   -1.9584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9939   -2.7631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.7631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -3.7631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7210   -1.0079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.2631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9887    0.3551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2993    1.3056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.2631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6995   -0.8016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2778    1.5118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6315    2.0499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9206    3.2066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5885    2.4623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9421    3.0004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2313    4.1572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6029   -4.1572    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6139   -2.7631    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.1431    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -4.3831    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0092   -0.2646    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6025    0.2677    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951   -3.5731    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5961    0.6103    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6919    1.0504    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0248    1.9221    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1952    2.5902    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5281    3.4619    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8206    3.9646    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4239    4.7465    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6420    4.3498    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 14  2  0  0  0  0
  2 19  2  0  0  0  0
  3  7  1  0  0  0  0
  4  7  2  0  0  0  0
  5  9  1  0  0  0  0
  5 11  1  0  0  0  0
  5 26  1  0  0  0  0
  6 16  1  0  0  0  0
  6 19  1  0  0  0  0
  6 33  1  0  0  0  0
  7 15  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
  8 12  1  0  0  0  0
  9 13  1  0  0  0  0
 10 11  2  0  0  0  0
 10 14  1  0  0  0  0
 11 27  1  0  0  0  0
 12 15  2  0  0  0  0
 12 28  1  0  0  0  0
 13 18  2  0  0  0  0
 13 29  1  0  0  0  0
 14 19  1  0  0  0  0
 15 18  1  0  0  0  0
 16 17  1  0  0  0  0
 16 30  1  0  0  0  0
 16 31  1  0  0  0  0
 17 20  2  0  0  0  0
 17 21  1  0  0  0  0
 18 32  1  0  0  0  0
 20 23  1  0  0  0  0
 20 34  1  0  0  0  0
 21 24  2  0  0  0  0
 21 35  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 36  1  0  0  0  0
 24 37  1  0  0  0  0
 25 38  1  0  0  0  0
 25 39  1  0  0  0  0
 25 40  1  0  0  0  0
M  CHG  2   3  -1   7   1
M  END

$$$$
D04PQX
  -OEChem-10101305022D

 30 32  0     0  0  0  0  0  0999 V2000
    8.9942   -0.2915    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.7327    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.2673    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
    4.5981    0.2327    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
    5.4641   -0.2673    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
    3.7320   -0.2673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2241    1.7673    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
    8.1301    0.2119    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
    3.7320   -1.2673    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
    2.8660   -1.7673    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
    9.8622    0.2052    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
    7.2169   -0.9220    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2169    2.3873    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
    8.6659    1.5656    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
    2.8660    0.8527    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    0.0427    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1701   -0.3329    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4003    0.5131    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5542    0.7433    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  1  0  0  0  0
  1 18  1  0  0  0  0
  2  6  2  0  0  0  0
  2 11  1  0  0  0  0
  3 16  2  0  0  0  0
  3 17  1  0  0  0  0
  4  6  1  0  0  0  0
  4  7  2  0  0  0  0
  4  8  1  0  0  0  0
  5  7  1  0  0  0  0
  5  9  1  0  0  0  0
  5 11  2  0  0  0  0
  6 10  1  0  0  0  0
  7 19  1  0  0  0  0
  8 12  2  0  0  0  0
  8 20  1  0  0  0  0
  9 14  2  0  0  0  0
  9 15  1  0  0  0  0
 10 13  2  0  0  0  0
 10 21  1  0  0  0  0
 11 22  1  0  0  0  0
 12 13  1  0  0  0  0
 13 23  1  0  0  0  0
 14 16  1  0  0  0  0
 14 24  1  0  0  0  0
 15 17  2  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
 18 28  1  0  0  0  0
 18 29  1  0  0  0  0
 18 30  1  0  0  0  0
M  END

$$$$
D04PSK
  -OEChem-10101305022D

 18 18  0     0  0  0  0  0  0999 V2000
    7.0064    0.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.5032   -0.9479    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.7431   -0.6691    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.6756   -0.7431    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3373    0.7431    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2633   -0.6691    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.7496    0.6691    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0032    0.5909    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0032    0.5909    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3122   -0.3601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6942   -0.3601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3922   -1.2756    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3392    0.4775    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6207    1.2756    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4149    0.4608    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5392    0.4149    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5851   -0.4608    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  7  1  0  0  0  0
  2 10  1  0  0  0  0
  2 11  1  0  0  0  0
  3 11  1  0  0  0  0
  3 12  1  0  0  0  0
  6 10  1  0  0  0  0
  6 13  1  0  0  0  0
  7 14  1  0  0  0  0
  7 15  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  2  0  0  0  0
  9 11  2  0  0  0  0
 12 16  1  0  0  0  0
 12 17  1  0  0  0  0
 12 18  1  0  0  0  0
M  END

$$$$
D04PTI
  -OEChem-10101305022D

 39 40  0     0  0  0  0  0  0999 V2000
    2.8660   -0.5000    0.0000 O   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   -3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    3.5000    0.0000 N   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   -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
    4.5981   -2.5000    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
    5.4641   -2.0000    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
    5.4641    1.0000    0.0000 C   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
    6.3301    2.5000    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
    2.8660   -3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -4.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    2.0000    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    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -0.6900    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
    6.0010    0.6900    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
    1.6900   -0.4631    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -1.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   -1.5369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2460   -3.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -4.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4860   -3.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1541   -4.5369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -4.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7741   -3.4631    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
    7.1962    1.3800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    4.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991    2.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1 16  1  0  0  0  0
  2  8  1  0  0  0  0
  2 17  1  0  0  0  0
  3  9  1  0  0  0  0
  3 18  1  0  0  0  0
  4 12  2  0  0  0  0
  5 21  2  0  0  0  0
  5 22  1  0  0  0  0
  6  7  2  0  0  0  0
  6 10  1  0  0  0  0
  6 12  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 11  1  0  0  0  0
 10 11  2  0  0  0  0
 10 23  1  0  0  0  0
 11 24  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  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 19  2  0  0  0  0
 15 20  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
 18 33  1  0  0  0  0
 18 34  1  0  0  0  0
 18 35  1  0  0  0  0
 19 21  1  0  0  0  0
 19 36  1  0  0  0  0
 20 22  2  0  0  0  0
 20 37  1  0  0  0  0
 21 38  1  0  0  0  0
 22 39  1  0  0  0  0
M  END

$$$$
D04PUK
  -OEChem-10101305022D

 57 60  0     0  0  0  0  0  0999 V2000
    4.9641    2.8170    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.0490    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.9510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.4510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    1.4510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.4510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.4510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.0490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9641    2.8170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.5490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.5490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9641    2.8170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    3.6830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.0490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -3.0490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 18 24  1  0  0  0  0
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 26 28  1  0  0  0  0
 26 55  1  0  0  0  0
 27 57  1  0  0  0  0
 28 56  1  0  0  0  0
M  END

$$$$
D04PYQ
  -OEChem-10101305032D

 36 38  0     1  0  0  0  0  0999 V2000
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 16 35  1  0  0  0  0
 17 36  1  0  0  0  0
M  END

$$$$
D04QAC
  -OEChem-04152109352D

 16 15  0     0  0  0  0  0  0999 V2000
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  1  7  1  0  0  0  0
  1 16  1  0  0  0  0
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  6 13  1  0  0  0  0
M  END

$$$$
D04QAD
  -OEChem-10101305032D

 44 46  0     0  0  0  0  0  0999 V2000
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 22 42  1  0  0  0  0
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 23 43  1  0  0  0  0
 24 44  1  0  0  0  0
M  END

$$$$
D04QAT
  -OEChem-10101305022D

 30 31  0     0  0  0  0  0  0999 V2000
    4.5981    4.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.5981    3.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.5981    3.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.5000    0.0000 N   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    0.5000    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
    6.3301   -1.0000    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    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1 16  1  0  0  0  0
  2 16  1  0  0  0  0
  3 16  1  0  0  0  0
  4  7  1  0  0  0  0
  4  9  1  0  0  0  0
  5 20  3  0  0  0  0
  6  8  1  0  0  0  0
  6 10  2  0  0  0  0
  6 16  1  0  0  0  0
  7  8  2  0  0  0  0
  7 11  1  0  0  0  0
  8 21  1  0  0  0  0
  9 14  2  0  0  0  0
  9 15  1  0  0  0  0
 10 13  1  0  0  0  0
 10 20  1  0  0  0  0
 11 13  2  0  0  0  0
 11 22  1  0  0  0  0
 12 17  2  0  0  0  0
 12 18  1  0  0  0  0
 12 19  1  0  0  0  0
 13 23  1  0  0  0  0
 14 17  1  0  0  0  0
 14 24  1  0  0  0  0
 15 18  2  0  0  0  0
 15 25  1  0  0  0  0
 17 26  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
M  END

$$$$
D04QBM
  -OEChem-10191522182D

 64 66  0     1  0  0  0  0  0999 V2000
    6.8050    5.2673    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.0730    2.2673    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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    2.9639   -2.5414    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    7.6710    2.7673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2009    3.2673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6710    3.7673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.2009    3.2673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.7009    2.4012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7009    4.1333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7009    2.4012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7009    4.1333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.2745   -3.4919    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.4748    1.8040    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    7.7132    0.4757    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9533   -0.6707    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    8.1524   -2.7498    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    8.8202   -2.0055    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6681   -3.7353    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   10.3909    1.8643    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1 24  1  0  0  0  0
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  3 21  2  0  0  0  0
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 18  7  1  6  0  0  0
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  8 35  2  0  0  0  0
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 10 35  1  0  0  0  0
 10 63  1  0  0  0  0
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 13 17  1  0  0  0  0
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 16 24  2  0  0  0  0
 17 21  1  0  0  0  0
 17 40  1  0  0  0  0
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 18 43  1  0  0  0  0
 19 23  1  0  0  0  0
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 20 29  2  0  0  0  0
 20 30  1  0  0  0  0
 22 25  1  0  0  0  0
 22 46  1  0  0  0  0
 23 28  1  0  0  0  0
 23 48  1  0  0  0  0
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 25 26  2  0  0  0  0
 26 50  1  0  0  0  0
 28 51  1  0  0  0  0
 28 52  1  0  0  0  0
 29 31  1  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 33  2  0  0  0  0
 31 55  1  0  0  0  0
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 33 57  1  0  0  0  0
 34 58  1  0  0  0  0
 34 59  1  0  0  0  0
 34 60  1  0  0  0  0
M  END

$$$$
D04QCF
  -OEChem-04152109492D

 43 46  0     1  0  0  0  0  0999 V2000
    4.6783    2.5368    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    9.2619    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783    0.9273    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   11.2619   -3.4641    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2619    3.4641    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2619    1.7320    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   10.7619   -0.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7619   -0.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2619    1.7320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7619    0.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.2320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.2320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2619   -1.7320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2619    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2619    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    2.7320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.7321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2619   -1.7320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1 11  1  0  0  0  0
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  2 16  1  0  0  0  0
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 10 31  1  0  0  0  0
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 13 14  1  0  0  0  0
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 17 34  1  0  0  0  0
 18 23  1  0  0  0  0
 18 35  1  0  0  0  0
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 20 26  2  0  0  0  0
 20 37  1  0  0  0  0
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 22 39  1  0  0  0  0
 23 24  2  0  0  0  0
 23 40  1  0  0  0  0
 24 41  1  0  0  0  0
 26 27  1  0  0  0  0
 26 42  1  0  0  0  0
 27 43  1  0  0  0  0
M  END

$$$$
D04QDB
  -OEChem-04152110352D

 48 51  0     1  0  0  0  0  0999 V2000
    5.4641    2.1471    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.1471    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   12.2278    2.3529    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   12.8677    1.0917    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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M  END

$$$$
D04QEO
  -OEChem-10101305022D

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M  END

$$$$
D04QEW
  -OEChem-10101305022D

121123  0     1  0  0  0  0  0999 V2000
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M  END

$$$$
D04QFO
  -OEChem-10101305022D

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M  END

$$$$
D04QFU
  -OEChem-10101305022D

 32 33  0     0  0  0  0  0  0999 V2000
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    7.7331    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
    8.5991    1.5000    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
    8.5991    2.5000    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
    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   -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
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  1  5  1  0  0  0  0
  1 11  1  0  0  0  0
  2 12  1  0  0  0  0
  2 15  1  0  0  0  0
  3 16  1  0  0  0  0
  3 32  1  0  0  0  0
  4 14  2  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 17  1  0  0  0  0
  6  8  1  0  0  0  0
  6 18  1  0  0  0  0
  6 19  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 10  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
 11 28  1  0  0  0  0
 11 29  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 13 30  1  0  0  0  0
 14 16  1  0  0  0  0
 15 16  2  0  0  0  0
 15 31  1  0  0  0  0
M  END

$$$$
D04QGH
  -OEChem-04152122292D

 48 50  0     1  0  0  0  0  0999 V2000
    2.0000   -2.4239    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.4239    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.9538    4.4239    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.0761    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7320   -3.4239    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7320   -3.4239    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.5761    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    2.0761    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    1.0761    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    2.0761    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.0570    2.6639    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.0761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6750    2.6639    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3660    3.6149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.5761    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.3660    3.6149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.4239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.0761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.9239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.9239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.9239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.9239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.4239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    1.0761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -4.4239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    0.5761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    2.5761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    2.0761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4184    1.7946    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4906    2.9160    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7470    2.1269    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2554    1.1837    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6540    0.4935    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9850    2.1269    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2414    2.9160    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4308    4.2315    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7596    3.7438    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.8861    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -0.6139    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -0.6139    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.0439    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -2.2339    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1120   -4.4239    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -5.0439    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3520   -4.4239    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -0.0439    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    3.1961    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991    2.3861    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 21  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  2  0  0  0  0
  2 23  1  0  0  0  0
  2 25  1  0  0  0  0
  3 16  2  0  0  0  0
  4 18  2  0  0  0  0
  7 18  1  0  0  0  0
  7 24  1  0  0  0  0
  7 41  1  0  0  0  0
  8 24  2  0  0  0  0
  8 27  1  0  0  0  0
  9 26  2  0  0  0  0
  9 28  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  1  0  0  0
 10 13  1  0  0  0  0
 10 29  1  0  0  0  0
 11 14  1  0  0  0  0
 11 30  1  0  0  0  0
 11 31  1  0  0  0  0
 15 12  1  1  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 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 18  1  0  0  0  0
 15 38  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 39  1  0  0  0  0
 20 22  2  0  0  0  0
 20 40  1  0  0  0  0
 21 23  2  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
 25 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
 27 28  2  0  0  0  0
 27 47  1  0  0  0  0
 28 48  1  0  0  0  0
M  END

$$$$
D04QHB
  -OEChem-10101305022D

 29 30  0     0  0  0  0  0  0999 V2000
    4.5981   -0.6900    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.6900    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.8100    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282   -1.1900    0.0000 N   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
    2.8660    1.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.8100    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
    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
    7.1962    0.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -0.6900    0.0000 C   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
    4.3426    0.7023    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9441    1.3926    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4675   -1.1650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2646   -1.1650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2646    1.7850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4675    1.7850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3894   -0.0823    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7880   -0.7726    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7880    1.3926    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3894    0.7023    0.0000 H   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
    6.3301    1.9300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    1.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1 11  1  0  0  0  0
  1 27  1  0  0  0  0
  2 11  1  0  0  0  0
  2 12  2  0  0  0  0
  3 11  2  0  0  0  0
  3 13  1  0  0  0  0
  4 15  3  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 16  1  0  0  0  0
  6  8  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 19  1  0  0  0  0
  7 20  1  0  0  0  0
  8 10  1  0  0  0  0
  8 21  1  0  0  0  0
  8 22  1  0  0  0  0
  9 10  1  0  0  0  0
  9 23  1  0  0  0  0
  9 24  1  0  0  0  0
 10 25  1  0  0  0  0
 10 26  1  0  0  0  0
 12 14  1  0  0  0  0
 12 15  1  0  0  0  0
 13 14  2  0  0  0  0
 13 28  1  0  0  0  0
 14 29  1  0  0  0  0
M  END

$$$$
D04QHT
          03081101032D 1   1.00000     0.00000     0

 30 27  0     0  0            999 V2000
    8.3550   -5.6580    0.0000 C   0  0  0  0  0  0           0  0  0
    7.6408   -6.0770    0.0000 C   0  0  0  0  0  0           0  0  0
    9.0740   -6.0681    0.0000 C   0  0  0  0  0  0           0  0  0
    9.7841   -5.6450    0.0000 N   0  0  0  0  0  0           0  0  0
   10.5029   -6.0468    0.0000 O   0  0  0  0  0  0           0  0  0
    9.0787   -6.8974    0.0000 O   0  0  0  0  0  0           0  0  0
    6.9176   -5.6670    0.0000 C   0  0  0  0  0  0           0  0  0
    6.2076   -6.0859    0.0000 C   0  0  0  0  0  0           0  0  0
    5.4844   -5.6759    0.0000 C   0  0  0  0  0  0           0  0  0
    4.7702   -6.0949    0.0000 C   0  0  0  0  0  0           0  0  0
    4.0471   -5.6890    0.0000 C   0  0  0  0  0  0           0  0  0
    4.0383   -4.8639    0.0000 O   0  0  0  0  0  0           0  0  0
    3.3330   -6.1122    0.0000 N   0  0  0  0  0  0           0  0  0
    2.6015   -5.7024    0.0000 C   0  0  0  0  0  0           0  0  0
    2.5862   -4.8764    0.0000 C   0  0  0  0  0  0           0  0  0
    1.8642   -4.4789    0.0000 C   0  0  0  0  0  0           0  0  0
    1.1576   -4.9061    0.0000 C   0  0  0  0  0  0           0  0  0
    1.1732   -5.7353    0.0000 C   0  0  0  0  0  0           0  0  0
    1.8999   -6.1331    0.0000 C   0  0  0  0  0  0           0  0  0
    0.4255   -4.4972    0.0000 C   0  0  0  0  0  0           0  0  0
    0.4155   -3.6721    0.0000 C   0  0  3  0  0  0           0  0  0
   -0.3121   -3.2714    0.0000 C   0  0  0  0  0  0           0  0  0
    1.1167   -3.2441    0.0000 C   0  0  0  0  0  0           0  0  0
    1.8442   -3.6406    0.0000 O   0  0  0  0  0  0           0  0  0
    1.1025   -2.4150    0.0000 O   0  5  0  0  0  0           0  0  0
   -0.3263   -2.4424    0.0000 O   0  5  0  0  0  0           0  0  0
   -1.0132   -3.6996    0.0000 O   0  0  0  0  0  0           0  0  0
   10.3390   -4.6588    0.0000 Pt  0  2  0  0  0  0           0  0  0
   12.1205   -4.5366    0.0000 N   0  0  0  0  0  0           0  0  0
    2.2702   -7.8974    0.0000 N   0  0  0  0  0  0           0  0  0
 13 14  1  0     0  0
 14 15  2  0     0  0
  2  7  1  0     0  0
 15 16  1  0     0  0
  1  3  1  0     0  0
 16 17  2  0     0  0
  7  8  1  0     0  0
 17 18  1  0     0  0
 18 19  2  0     0  0
 19 14  1  0     0  0
  8  9  1  0     0  0
 17 20  1  0     0  0
  3  4  1  0     0  0
 20 21  1  0     0  0
  9 10  1  0     0  0
 21 22  1  0     0  0
 21 23  1  0     0  0
 10 11  1  0     0  0
 23 24  2  0     0  0
  4  5  1  0     0  0
 23 25  1  0     0  0
 11 12  2  0     0  0
 22 26  1  0     0  0
  1  2  1  0     0  0
 22 27  2  0     0  0
 11 13  1  0     0  0
  3  6  2  0     0  0
M  CHG  3  25  -1  26  -1  28   2
M  END

$$$$
D04QIA
  -OEChem-10101305032D

 91 95  0     1  0  0  0  0  0999 V2000
    5.1350    4.4827    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    0.9827    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0620    1.4181    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651   -2.0173    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651   -5.0173    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    3.9827    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.4931    3.9480    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
   10.3301    1.4382    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    2.9827    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.2690    3.9827    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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M  END

$$$$
D04QJK
  -OEChem-10101305022D

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M  END

$$$$
D04QJY
  -OEChem-10101305022D

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 18 34  1  0  0  0  0
 19 21  1  0  0  0  0
 19 35  1  0  0  0  0
 21 36  1  0  0  0  0
M  END

$$$$
D04QKN
  -OEChem-10191522172D

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 21 23  1  0  0  0  0
 21 39  1  0  0  0  0
 22 23  2  0  0  0  0
M  END

$$$$
D04QNI
  -OEChem-10101305022D

 77 81  0     1  0  0  0  0  0999 V2000
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 38 39  2  0  0  0  0
 38 74  1  0  0  0  0
 39 75  1  0  0  0  0
M  END

$$$$
D04QPK
  -OEChem-10101305032D

 29 31  0     0  0  0  0  0  0999 V2000
    2.8660   -2.5591    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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  2 17  2  0  0  0  0
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  3 21  1  0  0  0  0
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  8 11  2  0  0  0  0
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  9 23  1  0  0  0  0
 10 13  1  0  0  0  0
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 11 12  1  0  0  0  0
 11 24  1  0  0  0  0
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 13 15  2  0  0  0  0
 14 16  2  0  0  0  0
 14 26  1  0  0  0  0
 15 27  1  0  0  0  0
 16 17  1  0  0  0  0
 16 28  1  0  0  0  0
 17 29  1  0  0  0  0
M  END

$$$$
D04QRM
  -OEChem-04152110462D

 43 45  0     1  0  0  0  0  0999 V2000
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    6.3981   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.5321   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 16 21  2  0  0  0  0
 16 36  1  0  0  0  0
 18 23  1  0  0  0  0
 18 37  1  0  0  0  0
 19 24  1  0  0  0  0
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 20 22  2  0  0  0  0
 20 39  1  0  0  0  0
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 21 40  1  0  0  0  0
 22 41  1  0  0  0  0
 23 24  2  0  0  0  0
 23 42  1  0  0  0  0
 24 43  1  0  0  0  0
M  END

$$$$
D04QRS
  -OEChem-10101305022D

 31 33  0     0  0  0  0  0  0999 V2000
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    4.2437    1.8691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.2665    1.9531    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  3  1  0  0  0  0
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  1 11  1  0  0  0  0
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  3  5  1  0  0  0  0
  4  6  1  0  0  0  0
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  5  9  1  0  0  0  0
  5 16  1  0  0  0  0
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 10 22  1  0  0  0  0
 10 23  1  0  0  0  0
 11 25  1  0  0  0  0
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 13 15  1  0  0  0  0
 13 29  1  0  0  0  0
 14 15  2  0  0  0  0
 14 30  1  0  0  0  0
 15 31  1  0  0  0  0
M  END

$$$$
D04QUB
  -OEChem-10101305022D

 59 62  0     1  0  0  0  0  0999 V2000
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M  END

$$$$
D04QUI
  -OEChem-10101305022D

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M  END

$$$$
D04QUO
  -OEChem-10101305022D

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 38 80  1  0  0  0  0
 39 40  2  0  0  0  0
 39 41  1  0  0  0  0
 40 43  1  0  0  0  0
 40 45  1  0  0  0  0
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 42 43  2  0  0  0  0
 42 44  1  0  0  0  0
 43 81  1  0  0  0  0
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 45 85  1  0  0  0  0
 46 86  1  0  0  0  0
 46 87  1  0  0  0  0
 46 88  1  0  0  0  0
 47 92  1  0  0  0  0
 47 93  1  0  0  0  0
 47 94  1  0  0  0  0
 48 89  1  0  0  0  0
 48 90  1  0  0  0  0
 48 91  1  0  0  0  0
M  END

$$$$
D04QVX
  -OEChem-10101305022D

 25 26  0     0  0  0  0  0  0999 V2000
    2.9230    1.6639    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.0761    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.0761    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5411    1.6639    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.4239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8660   -0.4239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2320    2.6149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.9239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  6  1  0  0  0  0
  1  8  1  0  0  0  0
  2  7  2  0  0  0  0
  3  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3 16  1  0  0  0  0
  4  6  2  0  0  0  0
  4 11  1  0  0  0  0
  5  7  1  0  0  0  0
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  5 10  1  0  0  0  0
  8 11  2  0  0  0  0
  8 14  1  0  0  0  0
  9 12  1  0  0  0  0
  9 17  1  0  0  0  0
 10 13  2  0  0  0  0
 10 18  1  0  0  0  0
 11 19  1  0  0  0  0
 12 15  2  0  0  0  0
 12 23  1  0  0  0  0
 13 15  1  0  0  0  0
 13 24  1  0  0  0  0
 14 20  1  0  0  0  0
 14 21  1  0  0  0  0
 14 22  1  0  0  0  0
 15 25  1  0  0  0  0
M  END

$$$$
D04QWD
  -OEChem-10101305032D

 22 22  0     1  0  0  0  0  0999 V2000
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    2.5369    1.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.2690   -1.0000    0.0000 C   0  0  1  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
    3.4030   -0.5000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    3.4030    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  9  1  0  0  0  0
  1 12  1  0  0  0  0
  7  2  1  1  0  0  0
  2 19  1  0  0  0  0
  8  3  1  6  0  0  0
  3 20  1  0  0  0  0
 10  4  1  1  0  0  0
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  7  8  1  0  0  0  0
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  7 13  1  0  0  0  0
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 10 12  1  0  0  0  0
 10 16  1  0  0  0  0
 11 17  1  0  0  0  0
 11 18  1  0  0  0  0
M  END

$$$$
D04QWX
  -OEChem-10101305022D

 32 33  0     1  0  0  0  0  0999 V2000
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 10 14  2  0  0  0  0
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 11 26  1  0  0  0  0
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 13 28  1  0  0  0  0
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 15 17  1  0  0  0  0
 15 30  1  0  0  0  0
 16 31  1  0  0  0  0
 17 32  1  0  0  0  0
M  END

$$$$
D04QXM
  -OEChem-04152110192D

142144  0     1  0  0  0  0  0999 V2000
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  1 30  1  0  0  0  0
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 71140  1  0  0  0  0
 72 73  1  0  0  0  0
 72141  1  0  0  0  0
M  END

$$$$
D04QYN
  -OEChem-10101305032D

 17 18  0     0  0  0  0  0  0999 V2000
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  1 10  2  0  0  0  0
  2  7  1  0  0  0  0
  2 10  1  0  0  0  0
  3  4  1  0  0  0  0
  3  7  2  0  0  0  0
  4 10  1  0  0  0  0
  4 15  1  0  0  0  0
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  6  7  1  0  0  0  0
  6  8  2  0  0  0  0
  6  9  1  0  0  0  0
  8 11  1  0  0  0  0
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  9 12  2  0  0  0  0
  9 14  1  0  0  0  0
 11 16  1  0  0  0  0
 12 17  1  0  0  0  0
M  END

$$$$
D04QZR
  -OEChem-04152111132D

 36 37  0     1  0  0  0  0  0999 V2000
    7.3301    1.4330    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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    8.5622   -2.4330    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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    3.8660    1.4330    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 10 11  1  0  0  0  0
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 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
M  END

$$$$
D04RAW
  -OEChem-10101305022D

 46 50  0     0  0  0  0  0  0999 V2000
    2.0000   -0.1931    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 26 45  1  0  0  0  0
 27 46  1  0  0  0  0
M  END

$$$$
D04RBG
  -OEChem-04152109312D

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 30 45  1  0  0  0  0
 31 46  1  0  0  0  0
M  END

$$$$
D04RBQ
  -OEChem-10101305032D

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 14 27  1  0  0  0  0
M  END

$$$$
D04RBU
  -OEChem-10101305032D

 70 74  0     1  0  0  0  0  0999 V2000
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   11.4661   -0.3846    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   11.7910   -1.6572    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.2676    0.9003    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   11.7476    1.3177    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3491    2.0080    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    8.7510   -1.6572    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    6.5949    0.5080    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2744   -2.0496    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   14.6219    1.0800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   15.1508   -2.9254    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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 16 48  1  0  0  0  0
 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 52  1  0  0  0  0
 18 53  1  0  0  0  0
 19 54  1  0  0  0  0
 19 55  1  0  0  0  0
 20 26  1  0  0  0  0
 20 56  1  0  0  0  0
 20 57  1  0  0  0  0
 21 23  2  0  0  0  0
 21 58  1  0  0  0  0
 22 24  2  0  0  0  0
 23 24  1  0  0  0  0
 23 59  1  0  0  0  0
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 25 27  1  0  0  0  0
 26 61  1  0  0  0  0
 26 62  1  0  0  0  0
 26 63  1  0  0  0  0
 27 28  2  0  0  0  0
 28 30  1  0  0  0  0
 28 66  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 67  1  0  0  0  0
 32 34  1  0  0  0  0
 32 68  1  0  0  0  0
 33 34  2  0  0  0  0
 33 69  1  0  0  0  0
 34 70  1  0  0  0  0
M  END

$$$$
D04RCR
  -OEChem-10101305022D

 23 23  0     0  0  0  0  0  0999 V2000
    4.5981    2.8450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.3450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8660   -0.1550    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
    3.7320   -1.6550    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
    2.0000   -2.6550    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
    2.8660   -3.1550    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
    4.5981    1.8450    0.0000 B   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0010    1.6550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  1  0  0  0  0
  1 22  1  0  0  0  0
  2 12  1  0  0  0  0
  2 23  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  2  0  0  0  0
  3  6  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  8  1  0  0  0  0
  5 15  1  0  0  0  0
  6  9  2  0  0  0  0
  6 16  1  0  0  0  0
  7 11  2  0  0  0  0
  7 17  1  0  0  0  0
  8 10  2  0  0  0  0
  8 18  1  0  0  0  0
  9 10  1  0  0  0  0
  9 19  1  0  0  0  0
 10 20  1  0  0  0  0
 11 12  1  0  0  0  0
 11 21  1  0  0  0  0
M  END

$$$$
D04REX
  -OEChem-10101305032D

 28 30  0     0  0  0  0  0  0999 V2000
    2.0000   -2.5972    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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    4.5981   -1.0972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.5972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.5972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8550    0.1581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.0972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.1871    0.9024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1 12  1  0  0  0  0
  2 15  2  0  0  0  0
  2 17  1  0  0  0  0
  3 16  1  0  0  0  0
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  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4 18  1  0  0  0  0
  4 19  1  0  0  0  0
  5  7  1  0  0  0  0
  5 20  1  0  0  0  0
  5 21  1  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
  7 11  2  0  0  0  0
  8 10  1  0  0  0  0
  9 12  2  0  0  0  0
  9 22  1  0  0  0  0
 10 13  2  0  0  0  0
 10 23  1  0  0  0  0
 11 14  1  0  0  0  0
 11 24  1  0  0  0  0
 12 13  1  0  0  0  0
 13 25  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  2  0  0  0  0
 15 26  1  0  0  0  0
 16 27  1  0  0  0  0
 17 28  1  0  0  0  0
M  END

$$$$
D04RGN
  -OEChem-10101305032D

184184  0     1  0  0  0  0  0999 V2000
   33.7139   -7.3450    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   35.4459   -7.3450    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
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   11.1972   -9.3450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   10.3312   -8.8450    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    7.7331   -7.3450    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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   11.1972   -7.3450    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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   12.0632   -7.8450    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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   13.7953   -7.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   19.8574   -7.3450    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
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 84182  1  0  0  0  0
 85183  1  0  0  0  0
 85184  1  0  0  0  0
M  CHG  2   2   1  23  -1
M  END

$$$$
D04RHI
  -OEChem-10191522262D

 62 64  0     0  0  0  0  0  0999 V2000
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    6.3301   -1.2277    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8106   -2.2623    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    2.2722    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5923    0.7964    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -2.2278    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.2722    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282   -0.7277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    0.2723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    0.2723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -0.7277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.7723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -1.2277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8222   -1.2624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8222    0.8069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    1.7722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7282    0.2931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7282   -0.7486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.2723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    2.2722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.7722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.7723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -2.2278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6708   -2.7723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    3.2722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4602    0.2997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -2.7278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6592   -3.7722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.7722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    3.7722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3243    0.8031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.2722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8150    1.4269    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2639   -1.0606    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.3477    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    2.8923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0611    0.4623    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5422   -2.8104    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9407   -2.1201    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2801   -2.8870    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8895   -2.1922    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9841    3.8549    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5856    3.1646    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.0636   -0.1767    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.8606   -0.1737    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1541   -2.1908    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9272   -3.0378    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7741   -3.2647    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0392   -3.7651    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6520   -4.3922    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2792   -3.7794    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4675    1.2973    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    8.3722    3.2353    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    7.7522    4.3092    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.6364    0.2673    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.8601    1.1152    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.0123    1.3388    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    1.6900    1.7353    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 11  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 16  1  0  0  0  0
  4 25  1  0  0  0  0
  5 17  1  0  0  0  0
  5 26  1  0  0  0  0
  6 13  2  0  0  0  0
  7 21  1  0  0  0  0
  7 29  1  0  0  0  0
  8 10  2  0  0  0  0
  8 13  1  0  0  0  0
  8 14  1  0  0  0  0
  9 11  2  0  0  0  0
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 10 15  1  0  0  0  0
 11 13  1  0  0  0  0
 12 16  2  0  0  0  0
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 14 18  2  0  0  0  0
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 15 33  1  0  0  0  0
 16 20  1  0  0  0  0
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 18 34  1  0  0  0  0
 19 22  2  0  0  0  0
 19 35  1  0  0  0  0
 20 21  2  0  0  0  0
 20 36  1  0  0  0  0
 21 22  1  0  0  0  0
 22 37  1  0  0  0  0
 23 27  1  0  0  0  0
 23 38  1  0  0  0  0
 23 39  1  0  0  0  0
 24 28  1  0  0  0  0
 24 40  1  0  0  0  0
 24 41  1  0  0  0  0
 25 30  1  0  0  0  0
 25 42  1  0  0  0  0
 25 43  1  0  0  0  0
 26 31  1  0  0  0  0
 26 44  1  0  0  0  0
 26 45  1  0  0  0  0
 27 46  1  0  0  0  0
 27 47  1  0  0  0  0
 27 48  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
 29 32  1  0  0  0  0
 29 52  1  0  0  0  0
 29 53  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
 31 57  1  0  0  0  0
 31 58  1  0  0  0  0
 31 59  1  0  0  0  0
 32 60  1  0  0  0  0
 32 61  1  0  0  0  0
 32 62  1  0  0  0  0
M  END

$$$$
D04RNU
  -OEChem-10101305022D

 29 30  0     0  0  0  0  0  0999 V2000
    4.2690    0.0600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.2690   -2.9400    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0010   -2.9400    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    5.1350    0.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -0.9400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    2.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    2.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -1.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -2.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    3.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    3.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    3.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -2.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7320    1.7500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5380    3.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    3.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    4.1800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -3.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.6300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5380   -2.6300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -3.5600    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  6  2  0  0  0  0
  3 10  2  0  0  0  0
  3 18  1  0  0  0  0
  4 14  1  0  0  0  0
  4 18  2  0  0  0  0
  5 14  1  0  0  0  0
  5 26  1  0  0  0  0
  5 27  1  0  0  0  0
  6 13  1  0  0  0  0
  7 18  1  0  0  0  0
  7 28  1  0  0  0  0
  7 29  1  0  0  0  0
  8  9  1  0  0  0  0
  8 11  2  0  0  0  0
  8 12  1  0  0  0  0
  9 19  1  0  0  0  0
  9 20  1  0  0  0  0
 10 13  1  0  0  0  0
 11 15  1  0  0  0  0
 11 21  1  0  0  0  0
 12 16  2  0  0  0  0
 12 22  1  0  0  0  0
 13 14  2  0  0  0  0
 15 17  2  0  0  0  0
 15 23  1  0  0  0  0
 16 17  1  0  0  0  0
 16 24  1  0  0  0  0
 17 25  1  0  0  0  0
M  END

$$$$
D04RPI
  -OEChem-10101305022D

 95100  0     1  0  0  0  0  0999 V2000
    8.5497    0.8003    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    8.5497    1.8003    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.8177    0.8003    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2294   -1.3386    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.6837    3.3003    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0108    0.6024    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.6837    5.3003    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    8.1837   -2.2385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.6837    0.3003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.6453   -3.2949    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.5497    3.8003    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.9826    0.8116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5100    1.4611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8532   -4.2730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6942   -2.9859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4158    3.3003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1100   -4.9422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9511   -3.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8672    3.1559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1590   -4.6331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2818    3.8003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5315    1.6673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5497    4.8003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8887    3.3622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2208    2.6178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3179   -5.9203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.3460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1478    3.3003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2818    4.8003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0138    3.8003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0138    4.8003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1478    5.3003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9078    3.2656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9078    5.3350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8138    3.7795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8138    4.8211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.1468    3.6103    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5497    3.1803    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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 49 51  1  0  0  0  0
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 50 51  2  0  0  0  0
 50 94  1  0  0  0  0
 51 95  1  0  0  0  0
M  END

$$$$
D04RQG
  -OEChem-10101305032D

 29 31  0     1  0  0  0  0  0999 V2000
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    4.6783   -1.4862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  8  2  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  8  1  0  0  0  0
  3 20  1  0  0  0  0
  4  6  1  0  0  0  0
  4  9  2  0  0  0  0
  5  7  1  0  0  0  0
  5 18  1  0  0  0  0
  5 19  1  0  0  0  0
  6  8  1  0  0  0  0
  6 10  2  0  0  0  0
  7 13  2  0  0  0  0
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  9 11  1  0  0  0  0
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 10 12  1  0  0  0  0
 10 22  1  0  0  0  0
 11 12  2  0  0  0  0
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 12 26  1  0  0  0  0
 13 15  1  0  0  0  0
 13 24  1  0  0  0  0
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 14 25  1  0  0  0  0
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 15 27  1  0  0  0  0
 16 17  1  0  0  0  0
 16 28  1  0  0  0  0
 17 29  1  0  0  0  0
M  END

$$$$
D04RQU
  -OEChem-10101305022D

 27 30  0     0  0  0  0  0  0999 V2000
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  5 14  1  0  0  0  0
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 10 18  1  0  0  0  0
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 17 25  1  0  0  0  0
 17 26  1  0  0  0  0
 17 27  1  0  0  0  0
M  END

$$$$
D04RSC
  -OEChem-10101305032D

135135  0     1  0  0  0  0  0999 V2000
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M  END

$$$$
D04RTY
  -OEChem-10101305022D

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M  END

$$$$
D04RUA
          02050901022D 1   1.00000     0.00000     0

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M  END

$$$$
D04RUF
  -OEChem-10101305022D

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M  END

$$$$
D04RUS
  -OEChem-10101305022D

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 43 78  1  0  0  0  0
 44 45  1  0  0  0  0
 44 79  1  0  0  0  0
 45 80  1  0  0  0  0
M  END

$$$$
D04RVA
  -OEChem-10101305022D

 69 72  0     1  0  0  0  0  0999 V2000
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 37 69  1  0  0  0  0
M  END

$$$$
D04RVW
  -OEChem-10101305022D

 32 34  0     0  0  0  0  0  0999 V2000
   10.5109    1.5284    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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 19 32  1  0  0  0  0
M  END

$$$$
D04RYE
  -OEChem-10191521552D

 36 39  0     0  0  0  0  0  0999 V2000
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 21 28  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
M  END

$$$$
D04SAO
  -OEChem-04152110392D

 50 52  0     0  0  0  0  0  0999 V2000
    8.9282    4.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -4.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -4.0000    0.0000 O   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
    5.4641    2.0000    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
    5.4641    1.0000    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
    3.7320    2.0000    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
    3.7320    4.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    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
    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
    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
    7.1962    4.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    2.5000    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    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    3.5000    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
    5.4641   -2.0000    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
    4.5981   -3.5000    0.0000 C   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
    4.8101    4.0826    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
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    4.0420    4.5369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951    4.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4220    3.4631    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
    7.1962    1.3800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    3.1200    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
    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
    7.1962    4.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991    2.1900    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
    2.8660   -0.1200    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
    6.0010   -2.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0611   -2.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    4.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -4.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 24  1  0  0  0  0
  1 49  1  0  0  0  0
  2 28  1  0  0  0  0
  2 50  1  0  0  0  0
  3 28  2  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  4  9  1  0  0  0  0
  5  7  1  0  0  0  0
  5  8  1  0  0  0  0
  6 12  1  0  0  0  0
  6 29  1  0  0  0  0
  6 30  1  0  0  0  0
  7 10  2  0  0  0  0
  7 11  1  0  0  0  0
  8 13  2  0  0  0  0
  8 14  1  0  0  0  0
  9 15  2  0  0  0  0
  9 16  1  0  0  0  0
 10 17  1  0  0  0  0
 10 31  1  0  0  0  0
 11 18  2  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
 12 35  1  0  0  0  0
 13 20  1  0  0  0  0
 13 36  1  0  0  0  0
 14 21  2  0  0  0  0
 14 37  1  0  0  0  0
 15 22  1  0  0  0  0
 15 38  1  0  0  0  0
 16 23  2  0  0  0  0
 16 39  1  0  0  0  0
 17 19  2  0  0  0  0
 17 40  1  0  0  0  0
 18 19  1  0  0  0  0
 18 41  1  0  0  0  0
 19 26  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 46  1  0  0  0  0
 26 27  2  0  0  0  0
 26 47  1  0  0  0  0
 27 28  1  0  0  0  0
 27 48  1  0  0  0  0
M  END

$$$$
D04SCD
  -OEChem-10101305022D

 30 32  0     0  0  0  0  0  0999 V2000
    7.2622    0.4585    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.5173    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.4827    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.4827    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.5173    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.0173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.0173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.4827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.0173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.0173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.9827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.9827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.9827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4920    0.4480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.9827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4920    2.5173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981    0.9619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981    2.0035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2087   -1.1250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8101   -0.4347    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6540   -0.4347    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2554   -1.1250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8101   -2.5999    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2087   -1.9097    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2554   -1.9097    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6540   -2.5999    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291    0.6727    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4848   -0.1720    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4848    3.1373    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9338    2.3156    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 17  1  0  0  0  0
  2  9  1  0  0  0  0
  2 10  1  0  0  0  0
  3 13  1  0  0  0  0
  3 15  1  0  0  0  0
  4 15  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
  6  9  1  0  0  0  0
  6 19  1  0  0  0  0
  6 20  1  0  0  0  0
  7 10  1  0  0  0  0
  7 21  1  0  0  0  0
  7 22  1  0  0  0  0
  8 11  1  0  0  0  0
  8 12  2  0  0  0  0
  9 23  1  0  0  0  0
  9 24  1  0  0  0  0
 10 25  1  0  0  0  0
 10 26  1  0  0  0  0
 11 13  2  0  0  0  0
 11 14  1  0  0  0  0
 12 15  1  0  0  0  0
 12 27  1  0  0  0  0
 13 16  1  0  0  0  0
 14 17  2  0  0  0  0
 14 28  1  0  0  0  0
 16 18  2  0  0  0  0
 16 29  1  0  0  0  0
 17 18  1  0  0  0  0
 18 30  1  0  0  0  0
M  END

$$$$
D04SCQ
  -OEChem-10101305022D

 36 37  0     0  0  0  0  0  0999 V2000
    2.5369    2.8450    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -0.1550    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
    3.4030    1.3450    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
    5.1350    0.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    1.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -1.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    1.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -1.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -0.1550    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
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    5.1350   -2.6550    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
    6.8671    1.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -3.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.4650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7924    0.4527    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1909   -0.2376    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8660   -1.3450    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.6550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6720   -1.3450    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -0.7750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    2.4650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.9650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4040    0.0350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6720   -2.9650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    3.1550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0739    3.1550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4040    1.6550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -3.7750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1 33  1  0  0  0  0
  1 34  1  0  0  0  0
  2  3  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  2 18  1  0  0  0  0
  3  4  1  0  0  0  0
  3 19  1  0  0  0  0
  3 20  1  0  0  0  0
  4  7  1  0  0  0  0
  4 21  1  0  0  0  0
  4 22  1  0  0  0  0
  5  8  2  0  0  0  0
  5 10  1  0  0  0  0
  6  9  2  0  0  0  0
  6 11  1  0  0  0  0
  7 23  1  0  0  0  0
  7 24  1  0  0  0  0
  8 12  1  0  0  0  0
  8 25  1  0  0  0  0
  9 13  1  0  0  0  0
  9 26  1  0  0  0  0
 10 14  2  0  0  0  0
 10 27  1  0  0  0  0
 11 15  2  0  0  0  0
 11 28  1  0  0  0  0
 12 17  2  0  0  0  0
 12 30  1  0  0  0  0
 13 16  2  0  0  0  0
 13 29  1  0  0  0  0
 14 17  1  0  0  0  0
 14 32  1  0  0  0  0
 15 16  1  0  0  0  0
 15 31  1  0  0  0  0
 16 35  1  0  0  0  0
 17 36  1  0  0  0  0
M  END

$$$$
D04SDD
  -OEChem-10101305022D

 48 51  0     1  0  0  0  0  0999 V2000
    2.0000   -5.5784    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
    6.1346    2.4869    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4806    1.3950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4843    3.5706    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0868    4.9884    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.4103   -0.8832    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.9216    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.0784    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.5784    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.6726    1.9842    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.7210    1.6768    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.6743    2.9842    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.7238    3.2949    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.4164    4.2464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.4216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9939   -0.0784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8660   -4.0784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8660   -5.0784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7320   -5.5784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 13  4  1  1  0  0  0
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 12  6  1  6  0  0  0
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 26 28  2  0  0  0  0
 27 28  1  0  0  0  0
 27 47  1  0  0  0  0
 28 48  1  0  0  0  0
M  END

$$$$
D04SDN
  -OEChem-10101305022D

 18 19  0     0  0  0  0  0  0999 V2000
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    4.2601    2.2694    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.2601    2.2694    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.0094    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  9  1  0  0  0  0
  2  3  1  0  0  0  0
  2  9  1  0  0  0  0
  3 10  1  0  0  0  0
  4 10  2  0  0  0  0
  5  6  1  0  0  0  0
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  6  9  2  0  0  0  0
  6 10  1  0  0  0  0
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 11 13  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
 13 18  1  0  0  0  0
M  END

$$$$
D04SEX
  -OEChem-10191522372D

 48 51  0     1  0  0  0  0  0999 V2000
    5.4762   -4.3809    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5449    4.3850    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.3821    1.2368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1 24  1  0  0  0  0
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 22 23  1  0  0  0  0
 22 46  1  0  0  0  0
M  END

$$$$
D04SFK
  -OEChem-10101305032D

 85 89  0     1  0  0  0  0  0999 V2000
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 46 47  1  0  0  0  0
 46 83  1  0  0  0  0
 47 84  1  0  0  0  0
M  END

$$$$
D04SFM
  -OEChem-10191522052D

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 35 60  1  0  0  0  0
M  END

$$$$
D04SHY
  -OEChem-10101305022D

 40 42  0     1  0  0  0  0  0999 V2000
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 22 38  1  0  0  0  0
M  END

$$$$
D04SIT
  -OEChem-10101305022D

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  2  9  1  0  0  0  0
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  4  5  1  0  0  0  0
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 10 20  1  0  0  0  0
 11 13  2  0  0  0  0
 12 13  1  0  0  0  0
 12 23  1  0  0  0  0
M  END

$$$$
D04SJC
  -OEChem-10101305022D

 37 38  0     0  0  0  0  0  0999 V2000
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 13 32  1  0  0  0  0
 13 33  1  0  0  0  0
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 16 35  1  0  0  0  0
 17 36  1  0  0  0  0
 18 19  1  0  0  0  0
 18 37  1  0  0  0  0
M  END

$$$$
D04SKW
  -OEChem-10101305022D

 60 62  0     0  0  0  0  0  0999 V2000
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 25 48  1  0  0  0  0
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 26 46  1  0  0  0  0
 29 31  1  0  0  0  0
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 30 32  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
 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
M  END

$$$$
D04SLM
  -OEChem-04152111352D

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  1  8  1  0  0  0  0
  1  9  1  0  0  0  0
  7  2  1  1  0  0  0
  2 10  1  0  0  0  0
  6  3  1  6  0  0  0
  3 35  1  0  0  0  0
 11  4  1  6  0  0  0
  4 18  1  0  0  0  0
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 10 23  1  0  0  0  0
 10 24  1  0  0  0  0
 11 15  1  0  0  0  0
 11 25  1  0  0  0  0
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 13 28  1  0  0  0  0
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 14 31  1  0  0  0  0
 14 32  1  0  0  0  0
 16 17  1  0  0  0  0
 16 33  1  0  0  0  0
 16 34  1  0  0  0  0
 17 19  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 21  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
M  END

$$$$
D04SMQ
  -OEChem-10101305022D

 23 23  0     1  0  0  0  0  0999 V2000
    5.4641   -2.6900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.3100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.6900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.5981   -1.1900    0.0000 C   0  0  1  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
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  1 12  1  0  0  0  0
  1 23  1  0  0  0  0
  2 10  2  0  0  0  0
  3 12  2  0  0  0  0
  4 14  2  0  0  0  0
  5  8  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  9  6  1  6  0  0  0
  6 19  1  0  0  0  0
  6 20  1  0  0  0  0
  7 10  1  0  0  0  0
  7 14  1  0  0  0  0
  7 21  1  0  0  0  0
  8  9  1  0  0  0  0
  8 15  1  0  0  0  0
  8 16  1  0  0  0  0
  9 12  1  0  0  0  0
  9 17  1  0  0  0  0
 11 13  2  0  0  0  0
 11 18  1  0  0  0  0
 13 14  1  0  0  0  0
 13 22  1  0  0  0  0
M  END

$$$$
D04SNH
  -OEChem-10101305032D

 30 31  0     0  0  0  0  0  0999 V2000
    6.3301   -1.9400    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.8301   -1.0740    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    5.4641   -1.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.4400    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
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  1  2  2  0  0  0  0
  1  3  2  0  0  0  0
  1  6  1  0  0  0  0
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  4 12  2  0  0  0  0
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  5 11  1  0  0  0  0
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 10 14  2  0  0  0  0
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 11 13  2  0  0  0  0
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 13 23  1  0  0  0  0
 14 16  1  0  0  0  0
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 15 17  2  0  0  0  0
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 16 18  2  0  0  0  0
 16 26  1  0  0  0  0
 17 18  1  0  0  0  0
 17 27  1  0  0  0  0
 18 28  1  0  0  0  0
M  END

$$$$
D04SPO
  -OEChem-10101305022D

 72 75  0     1  0  0  0  0  0999 V2000
    6.0010   -2.5033    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 40 72  1  0  0  0  0
M  END

$$$$
D04SPQ
  -OEChem-10191521552D

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M  END

$$$$
D04SQY
  -OEChem-10191522042D

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 22 23  1  0  0  0  0
 22 51  1  0  0  0  0
 24 52  1  0  0  0  0
 24 53  1  0  0  0  0
M  END

$$$$
D04STF
  -OEChem-10101305032D

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 26 38  1  0  0  0  0
 26 39  1  0  0  0  0
 26 40  1  0  0  0  0
M  END

$$$$
D04SVT
  -OEChem-10101305032D

 75 79  0     0  0  0  0  0  0999 V2000
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 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
M  END

$$$$
D04SYM
  -OEChem-10101305022D

 29 30  0     1  0  0  0  0  0999 V2000
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    1.3936    3.0220    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8711    2.2866    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 10  1  0  0  0  0
  2 15  1  0  0  0  0
 12  3  1  6  0  0  0
  3 16  1  0  0  0  0
  4  8  1  0  0  0  0
 13  4  1  1  0  0  0
  5 16  2  0  0  0  0
  6  8  1  0  0  0  0
  7  8  2  0  0  0  0
  9 16  1  0  0  0  0
  9 17  1  0  0  0  0
  9 26  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 10 18  1  6  0  0  0
 11 13  1  0  0  0  0
 11 19  1  6  0  0  0
 12 14  1  0  0  0  0
 12 20  1  0  0  0  0
 13 15  1  0  0  0  0
 13 21  1  0  0  0  0
 14 22  1  0  0  0  0
 14 23  1  0  0  0  0
 15 24  1  0  0  0  0
 15 25  1  0  0  0  0
 17 27  1  0  0  0  0
 17 28  1  0  0  0  0
 17 29  1  0  0  0  0
M  CHG  2   6  -1   8   1
M  END

$$$$
D04SZR
  -OEChem-10101305032D

 34 34  0     1  0  0  0  0  0999 V2000
    2.5369   -1.7500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -3.2500    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
    7.7331    3.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    3.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -1.7500    0.0000 C   0  0  3  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
    6.8671   -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
    6.8671   -0.2500    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
    3.4030   -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
    6.0010    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    1.2500    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
    6.8671    1.7500    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
    6.7372   -2.1750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5335   -0.7751    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7365   -0.7751    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0791   -1.8326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4776   -1.1423    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8705   -2.2250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6675   -2.2250    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
    8.2700   -0.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2700    1.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.5600    0.0000 H   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
    2.0000   -1.4400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    3.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  1  0  0  0  0
  1 33  1  0  0  0  0
  2 11  1  0  0  0  0
  2 32  1  0  0  0  0
  3 11  2  0  0  0  0
  4 18  1  0  0  0  0
  4 34  1  0  0  0  0
  5 18  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 19  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 12  1  0  0  0  0
  9 24  1  0  0  0  0
  9 25  1  0  0  0  0
 10 13  2  0  0  0  0
 10 14  1  0  0  0  0
 12 26  1  0  0  0  0
 12 27  1  0  0  0  0
 13 15  1  0  0  0  0
 13 28  1  0  0  0  0
 14 16  2  0  0  0  0
 14 29  1  0  0  0  0
 15 17  2  0  0  0  0
 15 30  1  0  0  0  0
 16 17  1  0  0  0  0
 16 31  1  0  0  0  0
 17 18  1  0  0  0  0
M  END

$$$$
D04TBB
  -OEChem-10101305022D

 40 42  0     1  0  0  0  0  0999 V2000
    3.7230   -0.5579    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3840    1.5481    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.1258    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4786   -0.4842    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.3796   -0.0503    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.5777   -0.0503    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.3551    0.9246    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.6021    0.9246    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.9786    1.7065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9786    1.7065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0647   -0.7706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3648    1.0112    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.6146   -1.4689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5929   -1.6456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5770    0.7021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9749    0.0968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8504    1.8687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8930   -2.1612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7916   -0.9847    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1993    0.1748    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6147   -0.8995    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0200    1.7058    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1166    2.3109    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4200    1.9755    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5372    1.9755    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8407    2.3109    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5765   -1.1206    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4666   -0.2984    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6936    1.5369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8619   -2.2042    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4391    0.0977    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1815    0.5642    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7150    1.3066    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3821    2.1877    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5315    2.4004    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3188    1.5498    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4638   -1.7138    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4456   -2.5904    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3223   -2.6086    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2916    2.1612    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1 16  1  0  0  0  0
  8  2  1  6  0  0  0
  2 40  1  0  0  0  0
  3 16  2  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4 13  1  0  0  0  0
  4 19  1  1  0  0  0
  5  8  1  0  0  0  0
  5 11  1  0  0  0  0
  5 20  1  1  0  0  0
  6  7  1  0  0  0  0
  6 21  1  6  0  0  0
  7  9  1  0  0  0  0
  7 12  1  0  0  0  0
  7 22  1  1  0  0  0
  8 10  1  0  0  0  0
  8 15  1  0  0  0  0
  9 10  1  0  0  0  0
  9 23  1  0  0  0  0
  9 24  1  0  0  0  0
 10 25  1  0  0  0  0
 10 26  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 16  1  0  0  0  0
 12 17  1  1  0  0  0
 12 29  1  0  0  0  0
 13 14  2  0  0  0  0
 13 18  1  0  0  0  0
 14 30  1  0  0  0  0
 15 31  1  0  0  0  0
 15 32  1  0  0  0  0
 15 33  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
M  END

$$$$
D04TBJ
  -OEChem-10101305022D

 16 15  0     0  0  0  0  0  0999 V2000
    3.4030   -0.2685    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.2315    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -0.7685    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9030    0.5976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9030   -1.1345    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -0.2685    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -0.2685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    0.2315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7365   -0.7434    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5335   -0.7434    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3996    0.7065    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6025    0.7065    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4040    0.0415    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -0.8885    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.4585    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2130    1.1345    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  7  1  0  0  0  0
  3 15  1  0  0  0  0
  4 16  1  0  0  0  0
  6  8  1  0  0  0  0
  6 13  1  0  0  0  0
  6 14  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 12  1  0  0  0  0
M  END

$$$$
D04TDF
  -OEChem-10101305022D

218224  0     1  0  0  0  0  0999 V2000
    2.0000    4.2823    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   12.3923   -4.7177    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2499   -6.0723    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5263   -1.2177    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6751   -9.3158    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.9904   -0.2177    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.1244    3.2823    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603    4.2823    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603    1.2823    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    1.7823    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    4.2823    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.3205    1.2823    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    7.7823    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.0526    0.2823    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.7224    4.7823    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    8.7823    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.4545    5.7823    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603   -4.7177    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.3923   -2.7177    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.0910   -7.3595    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.2583   -0.2177    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -2.7177    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.3693   -9.6759    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.2583    1.7823    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.5263    2.7823    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    3.2823    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   18.4545   -0.2177    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    4.2823    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    6.2823    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.8564    6.2823    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    8.7823    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   20.1865   -0.2177    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.2823    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   17.5885    6.2823    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.5557   -5.7122    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.5776   -5.9201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0776   -5.0541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7467   -4.3109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5263   -4.2177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5263   -3.2177    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   11.2989   -6.3813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603   -2.7177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942   -3.2177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282   -2.7177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2583   -1.2177    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.3923   -1.7177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8341   -8.0286    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   14.1244   -1.7177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -3.2177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6244   -2.5836    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7852   -7.7196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6262   -9.0068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6244   -2.5837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1244   -3.4497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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114216  1  0  0  0  0
114217  1  0  0  0  0
114218  1  0  0  0  0
M  END

$$$$
D04TDX
  -OEChem-10101305022D

 35 37  0     0  0  0  0  0  0999 V2000
    2.8660   -1.4351    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0728   -1.4596    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    9.8047   -1.4796    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    0.5649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 18 30  1  0  0  0  0
 21 33  1  0  0  0  0
 21 34  1  0  0  0  0
 21 35  1  0  0  0  0
M  END

$$$$
D04TED
  BIDD-NUS20110812001D

 54 57  0     0  0            999 V2000
   10.9833  -12.2042    0.0000 N   0  0  0  0  0  0           0  0  0
   11.6978  -11.7917    0.0000 C   0  0  2  0  0  0           0  0  0
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   10.9861   -9.7281    0.0000 C   0  0  0  0  0  0           0  0  0
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   10.2739  -10.9662    0.0000 C   0  0  0  0  0  0           0  0  0
    9.5570   -9.7282    0.0000 C   0  0  0  0  0  0           0  0  0
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   14.6381  -15.7177    0.0000 C   0  0  0  0  0  0           0  0  0
 12 13  2  0     0  0
 26 27  2  0     0  0
  1  2  1  0     0  0
 27 28  1  0     0  0
 13 14  1  0     0  0
 28 29  2  0     0  0
 29 24  1  0     0  0
 14  9  2  0     0  0
 27 30  1  0     0  0
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 31 33  1  0     0  0
 15 16  2  0     0  0
 33 34  1  0     0  0
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 33 35  1  1     0  0
 15 17  1  0     0  0
 35 36  1  0     0  0
  8  5  1  0     0  0
 36 37  1  0     0  0
 17 18  1  0     0  0
 37 38  1  0     0  0
 38 39  1  0     0  0
 18 19  1  0     0  0
 39 40  2  0     0  0
  4  5  1  0     0  0
 39 41  1  0     0  0
 19 20  1  0     0  0
 23 42  1  0     0  0
  9 10  1  0     0  0
 42 43  1  0     0  0
 19 21  2  0     0  0
 42 44  2  0     0  0
  2  3  1  0     0  0
 43 45  1  1     0  0
 20 22  1  6     0  0
 43 46  1  0     0  0
 10 11  2  0     0  0
 34 47  2  0     0  0
 46 34  1  0     0  0
 20 23  1  0     0  0
 45 48  1  0     0  0
  5  6  2  0     0  0
 48 49  1  0     0  0
 22 24  1  0     0  0
 49 50  1  0     0  0
 11 12  1  0     0  0
 50 51  1  0     0  0
 24 25  2  0     0  0
 51 52  1  0     0  0
  6 10  1  0     0  0
 51 53  2  0     0  0
 25 26  1  0     0  0
 46 54  1  0     0  0
M  ENDM  END

$$$$
D04TGN
  -OEChem-10101305022D

 20 21  0     0  0  0  0  0  0999 V2000
    5.1350    1.4827    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -1.5173    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -0.0173    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -1.5173    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -0.0173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.1350   -0.5173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -0.0173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8950   -0.5520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8950    1.5173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.9827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8010   -0.0381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.4030   -0.5173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0000   -0.3273    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  7  2  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
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5  9  2  0  0  0  0
  6 10  2  0  0  0  0
  7  8  1  0  0  0  0
  8 11  2  0  0  0  0
  8 14  1  0  0  0  0
  9 12  1  0  0  0  0
  9 15  1  0  0  0  0
 10 13  1  0  0  0  0
 10 16  1  0  0  0  0
 11 17  1  0  0  0  0
 12 13  2  0  0  0  0
 12 18  1  0  0  0  0
 13 19  1  0  0  0  0
M  END

$$$$
D04TIO
  BIDD-NUS20110812001D

 53 56  0  0  0  0  0  0  0  0999 V2000
   -2.9375  -21.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2230  -20.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5086  -21.1292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2230  -19.8917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6520  -20.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9375  -21.9542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6520  -19.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9341  -19.4829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  ENDM  END

$$$$
D04TIS
  -OEChem-10191521492D

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M  END

$$$$
D04TKG
  -OEChem-10101305032D

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 17 49  1  0  0  0  0
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 21 56  1  0  0  0  0
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 23 25  1  0  0  0  0
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 25 27  2  0  0  0  0
 26 64  1  0  0  0  0
 27 28  1  0  0  0  0
 27 65  1  0  0  0  0
M  END

$$$$
D04TLB
  -OEChem-04152108502D

 16 16  0     0  0  0  0  0  0999 V2000
    2.8660   -1.3450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1 11  2  0  0  0  0
  2  7  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  9  1  0  0  0  0
  4 10  2  0  0  0  0
  5  9  1  0  0  0  0
  5 13  1  0  0  0  0
  5 14  1  0  0  0  0
  6 10  1  0  0  0  0
  6 15  1  0  0  0  0
  6 16  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 11  1  0  0  0  0
M  END

$$$$
D04TLI
  -OEChem-10191521542D

 43 45  0     0  0  0  0  0  0999 V2000
    7.1962    4.1550    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0000   -4.8450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    7.1962    5.1550    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  1  3  2  0  0  0  0
  1  9  1  0  0  0  0
  1 11  1  0  0  0  0
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 10 13  2  0  0  0  0
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 11 14  1  0  0  0  0
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 17 25  1  0  0  0  0
 18 22  2  0  0  0  0
 18 32  1  0  0  0  0
 19 24  2  0  0  0  0
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 22 24  1  0  0  0  0
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 25 26  2  0  0  0  0
 25 39  1  0  0  0  0
 26 40  1  0  0  0  0
M  END

$$$$
D04TMV
  -OEChem-10101305032D

114116  0     1  0  0  0  0  0999 V2000
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   12.8954    1.7657    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    9.6027    2.5912    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3251    4.0881    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    8.1190    4.1272    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1 58  1  0  0  0  0
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  2  6  1  0  0  0  0
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 31  7  1  1  0  0  0
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 10 79  1  0  0  0  0
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 53 58  1  0  0  0  0
 53100  1  0  0  0  0
 53101  1  0  0  0  0
 54 57  1  0  0  0  0
 54102  1  0  0  0  0
 54103  1  0  0  0  0
 55 56  1  0  0  0  0
 55104  1  0  0  0  0
 55105  1  0  0  0  0
 56106  1  0  0  0  0
 56107  1  0  0  0  0
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 59 60  1  0  0  0  0
 59111  1  0  0  0  0
 59112  1  0  0  0  0
 60113  1  0  0  0  0
 60114  1  0  0  0  0
M  END

$$$$
D04TNI
  -OEChem-04152122262D

 46 47  0     1  0  0  0  0  0999 V2000
    2.0000    3.2500    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -4.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -6.2500    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    6.3301   -6.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -5.7500    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    3.7320    0.2500    0.0000 C   0  0  3  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
    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
    4.5981   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.7500    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
    3.7320    3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    2.7500    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
    6.3301   -4.2500    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
    4.5981    4.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7320    6.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 18  1  0  0  0  0
  2 11  1  0  0  0  0
  2 13  1  0  0  0  0
  3 13  2  0  0  0  0
  4  7  1  0  0  0  0
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 14 35  1  0  0  0  0
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 15 18  1  0  0  0  0
 15 37  1  0  0  0  0
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 16 38  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 17 21  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
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 22 24  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 26  2  0  0  0  0
 24 44  1  0  0  0  0
 25 26  1  0  0  0  0
 25 45  1  0  0  0  0
 26 46  1  0  0  0  0
M  CHG  2   5  -1   7   1
M  END

$$$$
D04TPA
  -OEChem-10191521522D

 46 49  0     0  0  0  0  0  0999 V2000
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 26 27  1  0  0  0  0
 27 44  1  0  0  0  0
 27 45  1  0  0  0  0
 27 46  1  0  0  0  0
M  END

$$$$
D04TPC
  -OEChem-10101305022D

 53 54  0     0  0  0  0  0  0999 V2000
    7.1962    1.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282   -1.7500    0.0000 N   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
    5.4641   -1.7500    0.0000 N   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
    8.0622    2.7500    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
    8.0622    1.7500    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
    8.9282    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
   11.5263   -1.2500    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    0.2500    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   -1.2500    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
    4.5981   -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
    2.8660   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.7500    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
    2.8660   -3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    3.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1972   -2.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2742    1.1674    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6728    1.8577    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
    9.3957   -0.7751    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6592    1.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5062    3.7869    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2382    2.7131    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651    3.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6182    3.7869    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6592    3.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8862    2.7131    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0403   -2.7500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603   -3.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2803   -2.7500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8363   -1.7869    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.0632   -0.9400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2163   -0.7131    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282   -2.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7932    0.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -2.3700    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
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    2.8660   -0.6300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -3.0600    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
    2.8660   -3.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -3.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
  1 14  1  0  0  0  0
  1 31  1  0  0  0  0
  2  9  1  0  0  0  0
  2 15  1  0  0  0  0
  2 44  1  0  0  0  0
  3 14  2  0  0  0  0
  3 15  1  0  0  0  0
  4 16  1  0  0  0  0
  4 18  1  0  0  0  0
  4 46  1  0  0  0  0
  5 15  2  0  0  0  0
  5 16  1  0  0  0  0
  6  8  1  0  0  0  0
  6 10  1  0  0  0  0
  6 11  1  0  0  0  0
  6 25  1  0  0  0  0
  7  9  1  0  0  0  0
  7 12  1  0  0  0  0
  7 13  1  0  0  0  0
  7 26  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 33  1  0  0  0  0
 10 34  1  0  0  0  0
 10 35  1  0  0  0  0
 11 32  1  0  0  0  0
 11 36  1  0  0  0  0
 11 37  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 38  1  0  0  0  0
 13 39  1  0  0  0  0
 13 40  1  0  0  0  0
 14 17  1  0  0  0  0
 16 17  2  0  0  0  0
 17 45  1  0  0  0  0
 18 19  1  0  0  0  0
 18 47  1  0  0  0  0
 18 48  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 49  1  0  0  0  0
 21 23  2  0  0  0  0
 21 50  1  0  0  0  0
 22 24  2  0  0  0  0
 22 51  1  0  0  0  0
 23 24  1  0  0  0  0
 23 52  1  0  0  0  0
 24 53  1  0  0  0  0
M  END

$$$$
D04TPO
  -OEChem-10101305022D

 23 24  0     1  0  0  0  0  0999 V2000
    6.0174   -1.8273    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    1.2073    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -0.2927    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    1.2073    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -0.7927    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.1350   -0.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    0.7073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -1.7927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0290   -0.8274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    0.7073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0290    1.2420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9350   -0.3135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9350    0.7281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.1027    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6490   -1.7927    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -2.4127    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8890   -1.7927    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    1.8273    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0218    1.8619    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4708   -0.6256    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4708    1.0402    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.8973    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    1.8273    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  2  7  1  0  0  0  0
  2 10  1  0  0  0  0
  2 18  1  0  0  0  0
  3  5  1  0  0  0  0
  3 10  2  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  8  1  0  0  0  0
  5 14  1  0  0  0  0
  6  7  2  0  0  0  0
  6  9  1  0  0  0  0
  7 11  1  0  0  0  0
  8 15  1  0  0  0  0
  8 16  1  0  0  0  0
  8 17  1  0  0  0  0
  9 12  2  0  0  0  0
 11 13  2  0  0  0  0
 11 19  1  0  0  0  0
 12 13  1  0  0  0  0
 12 20  1  0  0  0  0
 13 21  1  0  0  0  0
M  END

$$$$
D04TQF
  -OEChem-10101305022D

 46 48  0     0  0  0  0  0  0999 V2000
    5.4641   -1.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942    2.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -0.2500    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
    8.0622    0.7500    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
    8.0622   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    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
    6.3301   -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
    4.5981   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    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
    7.1962    2.2500    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
    8.0622    2.7500    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
    2.8660   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.2500    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
    2.0000   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942    3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9841   -0.1674    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5856   -0.8577    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2742   -0.8326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6728   -0.1423    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991   -1.9400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651    0.9400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6592    0.9400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7932   -3.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1996   -2.7250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9966   -2.7250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991   -3.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    6.6592    2.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    3.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -0.4400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.3700    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
    1.4631   -0.4400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4142    3.7500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942    4.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1742    3.7500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1 13  1  0  0  0  0
  2 14  1  0  0  0  0
  2 24  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3 25  1  0  0  0  0
  3 26  1  0  0  0  0
  4  6  1  0  0  0  0
  4 27  1  0  0  0  0
  4 28  1  0  0  0  0
  5  7  1  0  0  0  0
  5  8  2  0  0  0  0
  6  9  2  0  0  0  0
  6 10  1  0  0  0  0
  7 11  2  0  0  0  0
  8 12  1  0  0  0  0
  8 29  1  0  0  0  0
  9 14  1  0  0  0  0
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 10 16  2  0  0  0  0
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 11 15  1  0  0  0  0
 11 32  1  0  0  0  0
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 13 17  1  0  0  0  0
 13 33  1  0  0  0  0
 13 34  1  0  0  0  0
 14 18  2  0  0  0  0
 15 36  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
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 18 38  1  0  0  0  0
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 19 39  1  0  0  0  0
 20 22  2  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 23  1  0  0  0  0
 22 42  1  0  0  0  0
 23 43  1  0  0  0  0
 24 44  1  0  0  0  0
 24 45  1  0  0  0  0
 24 46  1  0  0  0  0
M  END

$$$$
D04TSL
  -OEChem-10101305022D

 57 58  0     1  0  0  0  0  0999 V2000
    8.5991   -3.9400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -2.4400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -2.4400    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.8671   -1.9400    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0010   -3.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331   -2.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331   -3.4400    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.8671   -3.9400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -1.9400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -0.9400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -2.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    2.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331   -0.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -0.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    1.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    0.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    0.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -1.9400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    3.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8671    2.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8671    2.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    3.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    4.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 19 22  1  0  0  0  0
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 21 48  1  0  0  0  0
 22 23  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
M  END

$$$$
D04TTB
  -OEChem-10101305022D

 82 86  0     1  0  0  0  0  0999 V2000
   11.1246    2.6467    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   11.8439    1.2643    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1552    1.6655    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3816   -1.9426    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   10.2190   -0.1175    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0651   -0.3477    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.2389   -3.0413    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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 21  1  1  1  0  0  0
  1 80  1  0  0  0  0
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 25 27  1  0  0  0  0
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 29 64  1  0  0  0  0
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 34 77  1  0  0  0  0
 34 78  1  0  0  0  0
 34 79  1  0  0  0  0
M  END

$$$$
D04TTN
  -OEChem-10101305022D

 89 93  0     1  0  0  0  0  0999 V2000
   12.8520    6.8515    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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    2.5020   10.5871    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 39 40  2  0  0  0  0
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 46 86  1  0  0  0  0
 46 87  1  0  0  0  0
 46 88  1  0  0  0  0
M  END

$$$$
D04TTP
  -OEChem-10101305022D

 22 24  0     0  0  0  0  0  0999 V2000
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  1 10  1  0  0  0  0
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  3 13  1  0  0  0  0
  3 22  1  0  0  0  0
  4  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 17  1  0  0  0  0
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  5 16  1  0  0  0  0
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  7 12  1  0  0  0  0
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 10 13  1  0  0  0  0
 11 14  1  0  0  0  0
 11 18  1  0  0  0  0
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 12 19  1  0  0  0  0
 13 14  2  0  0  0  0
 15 20  1  0  0  0  0
 16 21  1  0  0  0  0
M  END

$$$$
D04TVG
  -OEChem-10191521442D

 56 59  0     1  0  0  0  0  0999 V2000
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 27 55  1  0  0  0  0
 28 54  1  0  0  0  0
 29 56  1  0  0  0  0
M  END

$$$$
D04TVP
  -OEChem-10191522282D

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 18 36  1  0  0  0  0
M  END

$$$$
D04TVU
  -OEChem-04152122232D

 50 53  0     1  0  0  0  0  0999 V2000
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 20  2  1  6  0  0  0
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M  END

$$$$
D04TWU
  -OEChem-10101305022D

 33 34  0     1  0  0  0  0  0999 V2000
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 17 33  1  0  0  0  0
M  END

$$$$
D04TWX
  -OEChem-10101305032D

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 15 33  1  0  0  0  0
 16 34  1  0  0  0  0
M  END

$$$$
D04TXE
  -OEChem-10111523402D

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 41 87  1  0  0  0  0
M  END

$$$$
D04TZA
  -OEChem-04061902322D

 42 45  0     1  0  0  0  0  0999 V2000
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 16 32  1  0  0  0  0
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 18 35  1  0  0  0  0
 18 36  1  0  0  0  0
 19 21  1  0  0  0  0
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 20 22  1  0  0  0  0
 22 23  2  0  0  0  0
 24 27  1  0  0  0  0
 25 26  2  0  0  0  0
 25 39  1  0  0  0  0
 26 40  1  0  0  0  0
M  END

$$$$
D04TZI
  -OEChem-10101305022D

 21 22  0     1  0  0  0  0  0999 V2000
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  3  1  1  1  0  0  0
  4  2  1  6  0  0  0
  2 15  1  0  0  0  0
  2 16  1  0  0  0  0
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  3  5  1  0  0  0  0
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  4  5  1  0  0  0  0
  4 12  1  0  0  0  0
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  5 14  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 17  1  0  0  0  0
  8 10  2  0  0  0  0
  8 18  1  0  0  0  0
  9 11  2  0  0  0  0
  9 19  1  0  0  0  0
 10 11  1  0  0  0  0
 10 20  1  0  0  0  0
 11 21  1  0  0  0  0
M  END

$$$$
D04TZR
  -OEChem-04152122242D

 57 59  0     1  0  0  0  0  0999 V2000
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 20 24  1  0  0  0  0
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 27 31  1  0  0  0  0
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 27 55  1  0  0  0  0
 28 30  2  0  0  0  0
 29 30  1  0  0  0  0
 29 56  1  0  0  0  0
M  END

$$$$
D04UAZ
  -OEChem-04152111072D

 75 78  0     1  0  0  0  0  0999 V2000
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 26  3  1  6  0  0  0
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  7  9  1  0  0  0  0
  7 12  1  0  0  0  0
  7 35  1  6  0  0  0
  8 10  1  0  0  0  0
  8 13  1  0  0  0  0
  8 36  1  6  0  0  0
  9 10  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 15  1  0  0  0  0
 11 41  1  0  0  0  0
 11 42  1  0  0  0  0
 12 17  1  0  0  0  0
 12 18  1  6  0  0  0
 12 43  1  0  0  0  0
 13 16  1  0  0  0  0
 13 19  2  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 16  1  0  0  0  0
 15 47  1  0  0  0  0
 15 48  1  0  0  0  0
 16 49  1  0  0  0  0
 16 50  1  0  0  0  0
 17 20  1  0  0  0  0
 17 51  1  0  0  0  0
 17 52  1  0  0  0  0
 18 53  1  0  0  0  0
 18 54  1  0  0  0  0
 18 55  1  0  0  0  0
 19 21  1  0  0  0  0
 19 56  1  0  0  0  0
 20 57  1  0  0  0  0
 20 58  1  0  0  0  0
 21 22  2  0  0  0  0
 21 59  1  0  0  0  0
 22 24  1  0  0  0  0
 22 25  1  0  0  0  0
 23 29  2  0  0  0  0
 23 30  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 27  1  0  0  0  0
 25 31  2  0  0  0  0
 26 28  1  0  0  0  0
 26 63  1  0  0  0  0
 27 28  1  0  0  0  0
 27 64  1  0  0  0  0
 28 65  1  0  0  0  0
 28 66  1  0  0  0  0
 29 32  1  0  0  0  0
 29 67  1  0  0  0  0
 30 33  2  0  0  0  0
 30 68  1  0  0  0  0
 31 69  1  0  0  0  0
 31 70  1  0  0  0  0
 32 34  2  0  0  0  0
 32 71  1  0  0  0  0
 33 34  1  0  0  0  0
 33 72  1  0  0  0  0
 34 75  1  0  0  0  0
M  END

$$$$
D04UBQ
  -OEChem-10101305032D

 27 29  0     0  0  0  0  0  0999 V2000
    9.6648   -2.0210    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   10.6648   -0.2890    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.0812    0.5158    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0812   -1.0937    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -1.2890    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    0.2110    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    1.7110    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -1.2890    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    0.2110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6648   -0.2890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -0.7890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6648   -0.2890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.7110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1648   -1.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1648    0.5771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -0.7890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1648   -1.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1648    0.5771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6648   -0.2890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2738    1.1051    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8548   -1.6919    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8548    1.1140    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4748    1.1140    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.0210    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8059    2.0210    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -1.9090    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.9790    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 17  1  0  0  0  0
  2 19  1  0  0  0  0
  3  9  1  0  0  0  0
  3 10  1  0  0  0  0
  3 20  1  0  0  0  0
  4 10  2  0  0  0  0
  4 11  1  0  0  0  0
  5 11  2  0  0  0  0
  5 16  1  0  0  0  0
  6 13  1  0  0  0  0
  6 16  2  0  0  0  0
  7 13  1  0  0  0  0
  7 24  1  0  0  0  0
  7 25  1  0  0  0  0
  8 16  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 13  2  0  0  0  0
 10 12  1  0  0  0  0
 12 14  2  0  0  0  0
 12 15  1  0  0  0  0
 14 17  1  0  0  0  0
 14 21  1  0  0  0  0
 15 18  2  0  0  0  0
 15 22  1  0  0  0  0
 17 19  2  0  0  0  0
 18 19  1  0  0  0  0
 18 23  1  0  0  0  0
M  END

$$$$
D04UBY
  -OEChem-10101305032D

 39 40  0     1  0  0  0  0  0999 V2000
    4.5981   -3.1900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -4.6900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -4.6900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    5.3100    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.6900    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
    3.7320   -2.6900    0.0000 C   0  0  3  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   -3.1900    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
    3.7320    0.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.3100    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
    4.5981    2.8100    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
    5.4641    3.3100    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
    5.4641    4.3100    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
    4.5981    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
    3.5200   -1.1074    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1215   -1.7977    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8101   -1.7726    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2087   -1.0823    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6540   -2.6074    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2554   -3.2977    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    1.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951    1.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -3.8100    0.0000 H   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
    3.1951    3.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951    4.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    5.4300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -5.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1 34  1  0  0  0  0
  2 16  1  0  0  0  0
  2 39  1  0  0  0  0
  3 16  2  0  0  0  0
  4 22  3  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 23  1  0  0  0  0
  5 24  1  0  0  0  0
  6  8  1  0  0  0  0
  6 25  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
  8 10  2  0  0  0  0
  8 11  1  0  0  0  0
  9 16  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
 11 14  2  0  0  0  0
 11 31  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 12 15  1  0  0  0  0
 13 32  1  0  0  0  0
 14 33  1  0  0  0  0
 15 17  1  0  0  0  0
 15 18  2  0  0  0  0
 17 19  2  0  0  0  0
 17 35  1  0  0  0  0
 18 20  1  0  0  0  0
 18 36  1  0  0  0  0
 19 21  1  0  0  0  0
 19 22  1  0  0  0  0
 20 21  2  0  0  0  0
 20 37  1  0  0  0  0
 21 38  1  0  0  0  0
M  END

$$$$
D04UCF
  -OEChem-10191522252D

 53 57  0     1  0  0  0  0  0999 V2000
   11.2260    5.0118    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    8.1870   -4.3427    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7619    2.0118    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4989   -1.6553    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1051   -2.4600    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5000   -0.4882    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8958    0.5118    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0836    0.3165    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.6279    0.5118    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.4939    2.0118    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.5938   -3.4291    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    9.5883   -3.5336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7962   -4.5118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7619   -0.9882    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.0938   -2.5631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9302   -5.0118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8958   -1.4882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0298   -0.9882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7619    0.0118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0298    0.0118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0836   -1.2930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000   -0.4882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    0.3778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6279    1.5118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.3778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4939    3.0118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3600    3.5118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6279    3.5118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3600    4.5118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6279    4.5118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4939    5.0118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9746   -3.4616    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2049   -3.4688    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5883   -2.9136    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0484   -5.0782    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3859   -4.3202    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3286   -0.7368    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4694   -5.4267    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2946   -5.5134    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8910   -1.8823    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9174   -0.7003    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6077   -1.0988    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1648    0.2018    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5826    0.5899    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8923    0.9884    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.9978    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3800    0.3778    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.2422    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0309    1.7018    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8969    3.2018    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0910    3.2018    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0910    4.8218    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4939    5.6318    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 29  1  0  0  0  0
  2 11  1  0  0  0  0
  2 16  1  0  0  0  0
  3 24  2  0  0  0  0
  4 14  1  0  0  0  0
  4 15  2  0  0  0  0
  5 15  1  0  0  0  0
  5 17  2  0  0  0  0
  6  8  1  0  0  0  0
  6 21  1  0  0  0  0
  6 22  1  0  0  0  0
  7 19  2  0  0  0  0
  7 20  1  0  0  0  0
  8 20  2  0  0  0  0
  9 19  1  0  0  0  0
  9 24  1  0  0  0  0
  9 43  1  0  0  0  0
 10 24  1  0  0  0  0
 10 26  1  0  0  0  0
 10 49  1  0  0  0  0
 11 12  1  0  0  0  0
 11 15  1  0  0  0  0
 11 32  1  0  0  0  0
 12 13  1  0  0  0  0
 12 33  1  0  0  0  0
 12 34  1  0  0  0  0
 13 16  1  0  0  0  0
 13 35  1  0  0  0  0
 13 36  1  0  0  0  0
 14 17  1  0  0  0  0
 14 19  1  0  0  0  0
 14 37  1  0  0  0  0
 16 38  1  0  0  0  0
 16 39  1  0  0  0  0
 17 18  1  0  0  0  0
 18 20  1  0  0  0  0
 18 21  2  0  0  0  0
 21 40  1  0  0  0  0
 22 23  1  0  0  0  0
 22 41  1  0  0  0  0
 22 42  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
 25 46  1  0  0  0  0
 25 47  1  0  0  0  0
 25 48  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

$$$$
D04UCV
  -OEChem-10101305022D

 25 27  0     0  0  0  0  0  0999 V2000
    2.0000    0.2492    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.0047   -0.3771    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0321    0.0376    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3137    0.5740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6897   -1.1618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0047   -0.3771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3291    0.8063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1 14  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  3 22  1  0  0  0  0
  4  7  1  0  0  0  0
  4 10  2  0  0  0  0
  5  8  1  0  0  0  0
  5 15  1  0  0  0  0
  5 16  1  0  0  0  0
  6  9  2  0  0  0  0
  6 11  1  0  0  0  0
  7 17  1  0  0  0  0
  7 18  1  0  0  0  0
  8 19  1  0  0  0  0
  8 20  1  0  0  0  0
  9 10  1  0  0  0  0
  9 12  1  0  0  0  0
 10 21  1  0  0  0  0
 11 13  2  0  0  0  0
 11 23  1  0  0  0  0
 12 14  2  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
M  END

$$$$
D04UDE
  -OEChem-10101305022D

 36 38  0     0  0  0  0  0  0999 V2000
    4.5981   -2.0173    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.9827    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.5981    0.9827    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    1.9827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.3301    0.9827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    0.4827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    2.4827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    1.9827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.8622    0.9619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.7263    0.4585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.0173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.4827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.5173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.5173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.4827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -0.1373    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    3.1027    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7932    2.2927    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9490    3.1373    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3979    2.3156    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4142   -0.0772    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2620    0.1465    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0383    0.9943    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951   -0.8273    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4220   -1.9804    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951   -2.8273    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0420   -3.0543    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900    1.0196    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    0.1727    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   -0.0543    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 17  1  0  0  0  0
  1 20  1  0  0  0  0
  2 18  1  0  0  0  0
  2 21  1  0  0  0  0
  3  7  1  0  0  0  0
  3 14  2  0  0  0  0
  4 13  1  0  0  0  0
  4 17  2  0  0  0  0
  5 13  2  0  0  0  0
  5 18  1  0  0  0  0
  6  7  2  0  0  0  0
  6 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 11  1  0  0  0  0
  8 13  1  0  0  0  0
  9 22  1  0  0  0  0
 10 11  2  0  0  0  0
 10 23  1  0  0  0  0
 11 24  1  0  0  0  0
 12 15  2  0  0  0  0
 12 25  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 26  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 19  1  0  0  0  0
 18 19  2  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 34  1  0  0  0  0
 21 35  1  0  0  0  0
 21 36  1  0  0  0  0
M  END

$$$$
D04UDT
  -OEChem-10101305022D

 52 53  0     1  0  0  0  0  0999 V2000
    3.7320   -1.1900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282   -1.1900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.3100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    0.3100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    3.3100    0.0000 O   0  5  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
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    8.0622    2.3100    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.6900    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.4641   -1.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -1.1900    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
    5.4641   -2.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -2.1900    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   -0.6900    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
    4.5981   -2.6900    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
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    8.0622   -2.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3660   -1.5560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3660    0.1760    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
    5.4641    1.8100    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
    9.7942   -0.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -0.3800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    7.7331    0.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2881   -2.1531    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   10.1042   -1.2269    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1 15  1  0  0  0  0
  1 16  1  0  0  0  0
  2 20  1  0  0  0  0
  2 28  1  0  0  0  0
  3 16  2  0  0  0  0
  4 20  2  0  0  0  0
  5  8  1  0  0  0  0
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  7 13  1  0  0  0  0
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  7 30  1  0  0  0  0
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 13 18  1  0  0  0  0
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 15 22  1  0  0  0  0
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 15 24  1  0  0  0  0
 17 25  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
 19 26  2  0  0  0  0
 19 35  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
 23 42  1  0  0  0  0
 23 43  1  0  0  0  0
 23 44  1  0  0  0  0
 24 45  1  0  0  0  0
 24 46  1  0  0  0  0
 24 47  1  0  0  0  0
 25 27  2  0  0  0  0
 26 27  1  0  0  0  0
 26 48  1  0  0  0  0
 27 49  1  0  0  0  0
 28 50  1  0  0  0  0
 28 51  1  0  0  0  0
 28 52  1  0  0  0  0
M  CHG  2   5  -1   8   1
M  END

$$$$
D04UEN
  -OEChem-10101305022D

 36 35  0     1  0  0  0  0  0999 V2000
    5.4641    0.1830    0.0000 S   0  0  3  0  0  0  0  0  0  0  0  0
    2.0000   -0.8170    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7320    1.1830    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    8.0622   -0.3170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942   -0.3170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    0.1830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603    0.1830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.3170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5263   -0.3170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3923    0.1830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8660   -0.3170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.0588    0.6580    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   11.1278   -0.7919    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   12.9292    0.4930    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.9966   -0.7919    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  2  0  0  0  0
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  1 15  1  0  0  0  0
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  7 18  1  0  0  0  0
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 10 12  1  0  0  0  0
 10 24  1  0  0  0  0
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 15 35  1  0  0  0  0
 15 36  1  0  0  0  0
 16 17  1  0  0  0  0
M  END

$$$$
D04UFM
  -OEChem-10101305022D

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 45 88  1  0  0  0  0
 46 89  1  0  0  0  0
M  END

$$$$
D04UGI
  -OEChem-10101305022D

 47 50  0     0  0  0  0  0  0999 V2000
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 25 47  1  0  0  0  0
M  END

$$$$
D04UHT
  -OEChem-10191522482D

141145  0     1  0  0  0  0  0999 V2000
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M  END

$$$$
D04UIK
  -OEChem-10101305022D

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M  END

$$$$
D04UJI
  -OEChem-10101305022D

 23 24  0     0  0  0  0  0  0999 V2000
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 13 21  1  0  0  0  0
M  END

$$$$
D04UJZ
  -OEChem-10191521192D

145149  0     1  0  0  0  0  0999 V2000
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M  END

$$$$
D04ULI
  -OEChem-10191521262D

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M  ISO  8  26   3  27   3  28   3  29   3  37   3  38   3  39   3  40   3
M  END

$$$$
D04ULU
  -OEChem-10191522142D

 36 38  0     0  0  0  0  0  0999 V2000
    2.5369   -1.5000    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
    6.0010    4.5000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    6.8671    3.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -1.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    3.5000    0.0000 N   0  3  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
    5.1350    0.0000    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
    3.4030   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -3.0000    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
    3.4030    2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -4.0000    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    3.0000    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
    4.2690   -4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3471   -1.5826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7456   -0.8923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6720    0.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6720    1.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6720   -2.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -4.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    3.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6720   -4.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    4.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -5.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  2  0  0  0  0
  2 14  1  0  0  0  0
  2 36  1  0  0  0  0
  3  7  1  0  0  0  0
  4  7  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  9  1  0  0  0  0
  6 12  1  0  0  0  0
  6 27  1  0  0  0  0
  7 18  1  0  0  0  0
  8 10  1  0  0  0  0
  8 24  1  0  0  0  0
  8 25  1  0  0  0  0
  9 10  2  0  0  0  0
  9 13  1  0  0  0  0
 10 26  1  0  0  0  0
 11 14  1  0  0  0  0
 11 15  2  0  0  0  0
 13 16  2  0  0  0  0
 13 17  1  0  0  0  0
 14 19  2  0  0  0  0
 15 20  1  0  0  0  0
 15 29  1  0  0  0  0
 16 18  1  0  0  0  0
 16 28  1  0  0  0  0
 17 21  2  0  0  0  0
 17 30  1  0  0  0  0
 18 22  2  0  0  0  0
 19 23  1  0  0  0  0
 19 31  1  0  0  0  0
 20 23  2  0  0  0  0
 20 33  1  0  0  0  0
 21 22  1  0  0  0  0
 21 32  1  0  0  0  0
 22 34  1  0  0  0  0
 23 35  1  0  0  0  0
M  CHG  2   3  -1   7   1
M  END

$$$$
D04ULY
  -OEChem-10191521442D

 89 92  0     1  0  0  0  0  0999 V2000
    4.5981    2.4968    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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    4.5981   -1.5032    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.1839    5.5250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7320   -0.0032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.5981   -0.5032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4897    5.1649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.4408    4.8559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1350    5.2160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9760    6.5032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -4.5032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -3.0032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.4641   -5.0032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -4.5032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.4641   -6.0032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.0622   -6.5032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -6.5032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282   -5.0032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -6.0032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282   -6.0032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.7045    5.1646    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0333    5.6523    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1629    5.6523    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4916    5.1646    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2227    4.3368    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4791    3.5477    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9724    5.0512    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7613    3.5883    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5409    3.7540    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0010    1.3068    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    8.3069    5.1865    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -0.3132    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7808    5.7124    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0011    5.5466    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3480    3.3888    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0834    2.9112    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5609    3.6466    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1497    4.3085    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9293    4.4742    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0611   -1.8132    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -1.6932    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.9434    4.6264    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.7246    5.0244    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.3265    5.8057    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.5824    6.6321    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8471    7.1096    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3695    6.3743    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -4.1932    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -3.1932    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -3.8832    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6592   -6.3132    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -6.3132    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -3.8832    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951   -4.6932    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.5981   -7.1232    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651   -4.6932    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951   -6.3132    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651   -6.3132    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 21  1  0  0  0  0
  2 35  2  0  0  0  0
  5 20  2  0  0  0  0
  6 11  1  0  0  0  0
  7 11  2  0  0  0  0
  8 16  1  0  0  0  0
  8 19  1  0  0  0  0
  9 20  1  0  0  0  0
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  9 55  1  0  0  0  0
 10 25  1  0  0  0  0
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 11 26  1  0  0  0  0
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 13 33  1  0  0  0  0
 14 35  1  0  0  0  0
 14 71  1  0  0  0  0
 15 34  1  0  0  0  0
 15 35  1  0  0  0  0
 15 79  1  0  0  0  0
 16 17  1  0  0  0  0
 16 20  1  1  0  0  0
 16 48  1  0  0  0  0
 17 18  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 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
 21 23  2  0  0  0  0
 21 24  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
 24 27  2  0  0  0  0
 24 59  1  0  0  0  0
 25 60  1  0  0  0  0
 25 61  1  0  0  0  0
 26 28  2  0  0  0  0
 27 28  1  0  0  0  0
 27 62  1  0  0  0  0
 29 31  1  0  0  0  0
 29 63  1  0  0  0  0
 29 64  1  0  0  0  0
 30 65  1  0  0  0  0
 30 66  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 72  1  0  0  0  0
 32 73  1  0  0  0  0
 32 74  1  0  0  0  0
 33 75  1  0  0  0  0
 33 76  1  0  0  0  0
 33 77  1  0  0  0  0
 34 36  1  0  0  0  0
 34 37  1  0  0  0  0
 34 78  1  0  0  0  0
 36 39  2  0  0  0  0
 36 41  1  0  0  0  0
 37 38  2  0  0  0  0
 37 40  1  0  0  0  0
 38 42  1  0  0  0  0
 38 80  1  0  0  0  0
 39 43  1  0  0  0  0
 39 81  1  0  0  0  0
 40 44  2  0  0  0  0
 40 82  1  0  0  0  0
 41 45  2  0  0  0  0
 41 83  1  0  0  0  0
 42 46  2  0  0  0  0
 42 84  1  0  0  0  0
 43 47  2  0  0  0  0
 43 85  1  0  0  0  0
 44 46  1  0  0  0  0
 44 86  1  0  0  0  0
 45 47  1  0  0  0  0
 45 87  1  0  0  0  0
 46 88  1  0  0  0  0
 47 89  1  0  0  0  0
M  CHG  2   6  -1  11   1
M  END

$$$$
D04UMT
  -OEChem-04152111032D

 41 43  0     0  0  0  0  0  0999 V2000
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    2.0000   -3.2631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.2631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.2631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.7631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783   -1.9584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2619   -2.7631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9889   -1.0079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2781    0.1489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8994    2.0499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2566    0.3551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6103    0.8932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2101    3.0004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5673    1.3056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9209    1.8437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4993    4.1572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4675   -4.2381    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    1.3894   -3.1555    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7880   -3.8457    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7880   -1.6805    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3894   -2.3708    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8709   -4.1572    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    7.1895    3.6201    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    8.1739    1.4335    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5069    2.3052    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6027    2.7452    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0886    3.9646    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6919    4.7465    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9099    4.3498    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  2  0  0  0  0
  2 14  2  0  0  0  0
  3  7  1  0  0  0  0
  3 13  1  0  0  0  0
  3 29  1  0  0  0  0
  4 14  1  0  0  0  0
  4 15  1  0  0  0  0
  4 31  1  0  0  0  0
  5 19  1  0  0  0  0
  5 22  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 23  1  0  0  0  0
  6 24  1  0  0  0  0
  7  9  2  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 12  1  0  0  0  0
 10 11  1  0  0  0  0
 10 27  1  0  0  0  0
 10 28  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 13 30  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 20  2  0  0  0  0
 16 21  1  0  0  0  0
 17 20  1  0  0  0  0
 17 32  1  0  0  0  0
 18 21  2  0  0  0  0
 18 33  1  0  0  0  0
 19 34  1  0  0  0  0
 19 35  1  0  0  0  0
 20 36  1  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
M  END

$$$$
D04UMY
  -OEChem-10101305022D

 28 28  0     0  0  0  0  0  0999 V2000
    4.5981    2.4050    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.5981    2.4050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5981    2.4050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -0.0950    0.0000 O   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
    2.0000    1.9050    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -3.0950    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -1.5950    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.4050    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
    3.7320    0.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    3.4050    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
    4.5981   -0.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.5950    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
    7.1962   -2.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    1.2150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2181    3.4050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    4.0250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9781    3.4050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951   -0.4050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.2150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331   -3.4050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6592   -3.4050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991   -1.9050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -0.9750    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  9  1  0  0  0  0
  1 13  1  0  0  0  0
  4 16  2  0  0  0  0
  5 16  1  0  0  0  0
  5 18  2  0  0  0  0
  6 17  3  0  0  0  0
  7 18  1  0  0  0  0
  7 25  1  0  0  0  0
  7 26  1  0  0  0  0
  8 18  1  0  0  0  0
  8 27  1  0  0  0  0
  8 28  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  2  0  0  0  0
 10 12  2  0  0  0  0
 10 19  1  0  0  0  0
 11 14  1  0  0  0  0
 11 17  1  0  0  0  0
 12 15  1  0  0  0  0
 12 16  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
 14 15  2  0  0  0  0
 14 23  1  0  0  0  0
 15 24  1  0  0  0  0
M  END

$$$$
D04UNE
  -OEChem-10191522302D

 44 44  0     1  0  0  0  0  0999 V2000
    3.7320    1.0600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    3.0600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -4.9400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    4.0600    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.5600    0.0000 C   0  0  3  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
    6.3301    4.5600    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
    3.7320   -2.9400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    5.5600    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
    3.7320   -1.9400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.4400    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
    4.5981   -1.4400    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   -0.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -4.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    3.1800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6762    2.4774    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0747    3.1677    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7932    4.8700    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
    4.8101    0.9774    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2087    1.6677    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9441   -3.5226    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3426   -2.8323    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8862    3.5231    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9501    5.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    6.1800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7101    5.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    3.7500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5062    4.5969    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6540   -2.8574    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    5.1350   -0.1300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -0.1300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    3.6800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0781   -5.0226    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4766   -4.3323    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -5.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
  1 14  1  0  0  0  0
  2  5  1  0  0  0  0
  2 41  1  0  0  0  0
  3 19  1  0  0  0  0
  3 44  1  0  0  0  0
  4  6  1  0  0  0  0
  4  7  1  0  0  0  0
  4 24  1  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  5 20  1  0  0  0  0
  6 21  1  0  0  0  0
  6 22  1  0  0  0  0
  7 10  1  0  0  0  0
  7 11  1  0  0  0  0
  7 23  1  0  0  0  0
  8 25  1  0  0  0  0
  8 26  1  0  0  0  0
  9 12  1  0  0  0  0
  9 13  1  0  0  0  0
  9 27  1  0  0  0  0
  9 28  1  0  0  0  0
 10 30  1  0  0  0  0
 10 31  1  0  0  0  0
 10 32  1  0  0  0  0
 11 29  1  0  0  0  0
 11 33  1  0  0  0  0
 11 34  1  0  0  0  0
 12 15  2  0  0  0  0
 12 16  1  0  0  0  0
 13 19  1  0  0  0  0
 13 35  1  0  0  0  0
 13 36  1  0  0  0  0
 14 17  2  0  0  0  0
 14 18  1  0  0  0  0
 15 17  1  0  0  0  0
 15 37  1  0  0  0  0
 16 18  2  0  0  0  0
 16 38  1  0  0  0  0
 17 39  1  0  0  0  0
 18 40  1  0  0  0  0
 19 42  1  0  0  0  0
 19 43  1  0  0  0  0
M  END

$$$$
D04UNQ
  -OEChem-04152109152D

 25 26  0     0  0  0  0  0  0999 V2000
    4.7208    2.7686    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7208    2.7686    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2208    0.2298    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9809    1.5086    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4608    1.5086    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3548   -0.2702    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2208    1.2298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0298    1.8176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4118    1.8176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3548   -1.2702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4888   -1.7702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2208   -1.7702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4888   -2.7702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2208   -2.7702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3548   -3.2702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0852    3.2702    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9518   -1.4602    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7578   -1.4602    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4416    1.9234    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    3.3548   -3.8902    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  8  1  0  0  0  0
  1 16  1  0  0  0  0
  2  9  2  0  0  0  0
  3  6  2  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  4 19  1  0  0  0  0
  4 20  1  0  0  0  0
  5  9  1  0  0  0  0
  5 21  1  0  0  0  0
  5 22  1  0  0  0  0
  6 10  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 11 13  1  0  0  0  0
 11 17  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 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

$$$$
D04UOP
  -OEChem-04152109092D

 44 44  0     1  0  0  0  0  0999 V2000
    3.7320    1.0670    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.4330    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -2.4330    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    2.0670    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    2.5670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.0670    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.5981    0.5670    0.0000 C   0  0  1  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
    5.8301    3.4330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8301    1.7010    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
    4.5981   -0.4330    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
    5.4641   -0.9330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.9330    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
    4.5981   -2.4330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.9330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -3.4330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    1.3770    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9272    2.3770    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.1870    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    6.3671    3.7430    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5201    3.9700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2932    3.1230    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2932    1.3910    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1401    1.1640    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3671    2.0110    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0201    0.0301    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    0.2570    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6401    1.1039    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -0.6230    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.6870    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951   -2.2430    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -3.0530    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -0.3961    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -1.2430    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   -1.4700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7101   -3.4330    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -4.0530    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9501   -3.4330    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  7  1  1  1  0  0  0
  1 36  1  0  0  0  0
  2 13  1  0  0  0  0
  2 18  1  0  0  0  0
  3 15  1  0  0  0  0
  3 19  1  0  0  0  0
  4  5  1  0  0  0  0
  6  4  1  1  0  0  0
  4 21  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  7  1  0  0  0  0
  6 11  1  0  0  0  0
  6 20  1  0  0  0  0
  7 12  1  0  0  0  0
  7 22  1  0  0  0  0
  8 23  1  0  0  0  0
  8 24  1  0  0  0  0
  8 25  1  0  0  0  0
  9 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
 10 31  1  0  0  0  0
 11 32  1  0  0  0  0
 11 33  1  0  0  0  0
 11 34  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
 14 15  2  0  0  0  0
 14 35  1  0  0  0  0
 15 17  1  0  0  0  0
 16 17  2  0  0  0  0
 16 37  1  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 42  1  0  0  0  0
 19 43  1  0  0  0  0
 19 44  1  0  0  0  0
M  END

$$$$
D04UPQ
  -OEChem-10101305022D

 31 34  0     0  0  0  0  0  0999 V2000
    8.7197    1.8014    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0724    1.2662    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4170   -0.1060    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7123   -0.4280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9065   -1.0102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4033    0.5230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1028   -0.4252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4092    0.5205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6904   -0.6359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3596    0.1072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0936   -0.6570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7276    1.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0505    1.0583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9970   -1.6314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3942    0.1066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7133    1.0916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3816   -0.0936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0142   -1.8558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7112   -1.0818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4910   -1.4704    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3205   -1.4718    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8808    1.8558    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9094   -1.2490    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9255    1.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5768   -2.0873    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2998    1.5536    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7912    0.3719    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2035   -2.4462    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3181   -1.2083    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.3528    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2282   -0.6965    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  2  0  0  0  0
  2  6  1  0  0  0  0
  2 13  1  0  0  0  0
  2 22  1  0  0  0  0
  3 15  1  0  0  0  0
  3 30  1  0  0  0  0
  3 31  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  2  0  0  0  0
  4  9  1  0  0  0  0
  5  7  1  0  0  0  0
  5 20  1  0  0  0  0
  5 21  1  0  0  0  0
  6  8  1  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 14  2  0  0  0  0
 10 13  1  0  0  0  0
 10 17  2  0  0  0  0
 11 15  2  0  0  0  0
 11 23  1  0  0  0  0
 12 16  2  0  0  0  0
 12 24  1  0  0  0  0
 14 18  1  0  0  0  0
 14 25  1  0  0  0  0
 15 16  1  0  0  0  0
 16 26  1  0  0  0  0
 17 19  1  0  0  0  0
 17 27  1  0  0  0  0
 18 19  2  0  0  0  0
 18 28  1  0  0  0  0
 19 29  1  0  0  0  0
M  END

$$$$
D04UPU
  -OEChem-10101305032D

 20 20  0     0  0  0  0  0  0999 V2000
    4.2690    2.4050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    1.4050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -2.0950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -2.0950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -0.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -0.5950    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
    4.2690   -0.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    1.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -0.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    0.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -1.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6116   -0.7027    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2131   -0.0124    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6720    1.2150    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
    2.8660   -0.4050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8059    2.7150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.0950    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -2.7150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  1 18  1  0  0  0  0
  2 11  1  0  0  0  0
  2 19  1  0  0  0  0
  3 12  1  0  0  0  0
  3 20  1  0  0  0  0
  4 12  2  0  0  0  0
  5  6  1  0  0  0  0
  5  7  2  0  0  0  0
  5  8  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
  7  9  1  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 11  2  0  0  0  0
 10 11  1  0  0  0  0
 10 17  1  0  0  0  0
M  END

$$$$
D04URI
  -OEChem-10191522002D

 41 43  0     0  0  0  0  0  0999 V2000
    6.4144    1.9377    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1962    0.9273    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1962   -1.1211    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4144   -2.1315    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660   -2.0969    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9176    1.9377    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660    0.9031    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321    0.4031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321   -0.5969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000    0.4031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000   -0.5969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660   -1.0969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4260    0.9378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4260   -1.1316    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3321    0.4239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3321   -0.6177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660    1.9031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9061    0.9378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9061   -1.1316    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0000   -0.6177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.4477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0641    0.4306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1923   -2.1210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2860    1.9031    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1 13  1  0  0  0  0
  1 22  1  0  0  0  0
  2 15  1  0  0  0  0
  2 23  1  0  0  0  0
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  5 12  2  0  0  0  0
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  6 32  1  0  0  0  0
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  7 10  1  0  0  0  0
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 10 11  2  0  0  0  0
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 11 12  1  0  0  0  0
 11 19  1  0  0  0  0
 13 15  2  0  0  0  0
 14 16  2  0  0  0  0
 15 16  1  0  0  0  0
 17 25  1  0  0  0  0
 17 26  1  0  0  0  0
 17 27  1  0  0  0  0
 18 20  2  0  0  0  0
 19 21  2  0  0  0  0
 19 28  1  0  0  0  0
 20 21  1  0  0  0  0
 20 29  1  0  0  0  0
 21 30  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
 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
M  END

$$$$
D04USO
  -OEChem-10101305022D

 36 37  0     0  0  0  0  0  0999 V2000
    4.5981    4.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.5981    3.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.5981    3.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    7.1962   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -3.0000    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
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    4.5981   -1.0000    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
    4.5981    2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.4641    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.7522   -0.4631    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    1.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7101   -4.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -4.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9501   -4.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951    0.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 21  1  0  0  0  0
  2 21  1  0  0  0  0
  3 21  1  0  0  0  0
  4  6  1  0  0  0  0
  4 12  1  0  0  0  0
  5 22  3  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  7 10  1  0  0  0  0
  7 13  1  0  0  0  0
  8 11  2  0  0  0  0
  8 14  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
  9 16  1  0  0  0  0
 10 23  1  0  0  0  0
 11 24  1  0  0  0  0
 12 17  2  0  0  0  0
 12 18  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
 14 28  1  0  0  0  0
 14 29  1  0  0  0  0
 14 30  1  0  0  0  0
 15 17  1  0  0  0  0
 15 19  2  0  0  0  0
 15 21  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 31  1  0  0  0  0
 18 20  2  0  0  0  0
 18 35  1  0  0  0  0
 19 20  1  0  0  0  0
 19 22  1  0  0  0  0
 20 36  1  0  0  0  0
M  END

$$$$
D04UTQ
  -OEChem-10101305022D

 26 27  0     0  0  0  0  0  0999 V2000
    4.5981   -0.5173    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.5173    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.9827    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.9827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.0173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.4827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.0173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3580    1.5173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3580   -0.5520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641    1.0035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641   -0.0381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.0173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.5173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9966    1.9576    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1996    1.9576    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.1373    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3509    2.1373    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3509   -1.1720    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7998    1.3156    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7998   -0.3502    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100    0.5196    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    0.2927    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2460   -1.5173    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.1373    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4860   -1.5173    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -0.5543    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 16  1  0  0  0  0
  2  7  1  0  0  0  0
  2 12  1  0  0  0  0
  2 13  1  0  0  0  0
  3  6  1  0  0  0  0
  3  7  2  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 14  1  0  0  0  0
  6 15  1  0  0  0  0
  8 10  1  0  0  0  0
  8 17  1  0  0  0  0
  9 11  1  0  0  0  0
  9 18  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 21  1  0  0  0  0
 12 22  1  0  0  0  0
 12 26  1  0  0  0  0
 13 23  1  0  0  0  0
 13 24  1  0  0  0  0
 13 25  1  0  0  0  0
M  END

$$$$
D04UUT
  -OEChem-04152109452D

 28 31  0     0  0  0  0  0  0999 V2000
    2.9511   -1.0936    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9347   -2.2846    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0687   -0.7846    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.8007   -0.7846    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1224   -1.0894    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0687    0.2154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9347    0.7154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8007    0.2154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1224    0.5201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5388   -0.2846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9347   -1.2846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9186    1.7569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7107    0.7222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5388   -0.2846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8167    2.2846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7188    1.7638    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9511    0.5244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.2154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.7846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9298    1.1094    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3377   -1.0946    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3782    2.0606    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2440    0.4060    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8143    2.9046    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2569    2.0717    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1426    1.1140    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4984    0.5798    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4984   -1.1491    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 11  2  0  0  0  0
  3  5  1  0  0  0  0
  3  6  1  0  0  0  0
  3 11  1  0  0  0  0
  4  8  1  0  0  0  0
  4 11  1  0  0  0  0
  4 21  1  0  0  0  0
  5 10  2  0  0  0  0
  6  7  1  0  0  0  0
  6  9  2  0  0  0  0
  7  8  1  0  0  0  0
  7 12  2  0  0  0  0
  8 13  2  0  0  0  0
  9 10  1  0  0  0  0
  9 20  1  0  0  0  0
 10 14  1  0  0  0  0
 12 15  1  0  0  0  0
 12 22  1  0  0  0  0
 13 16  1  0  0  0  0
 13 23  1  0  0  0  0
 14 17  2  0  0  0  0
 15 16  2  0  0  0  0
 15 24  1  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 19  2  0  0  0  0
 18 27  1  0  0  0  0
 19 28  1  0  0  0  0
M  END

$$$$
D04UVC
  -OEChem-10101305022D

 45 46  0     1  0  0  0  0  0999 V2000
    3.7320   -0.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.0000    0.0000 O   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
    6.3301    1.0000    0.0000 C   0  0  3  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    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
    7.1962   -0.5000    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
    7.1962    2.5000    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
    5.4641    3.5000    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    4.0000    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
    5.4641   -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
    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
    2.0000   -2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7932    1.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6592    0.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2520    1.0826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8535    0.3923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3722    0.4631    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5762   -0.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -1.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8162   -0.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991    1.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7522    1.5369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -0.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9272    2.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    2.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9272    3.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    3.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    4.6200    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   -3.8100    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   -4.6200    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 12  2  0  0  0  0
  2 17  1  0  0  0  0
  2 22  1  0  0  0  0
  3  6  1  0  0  0  0
  3 12  1  0  0  0  0
  3 33  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4  7  1  0  0  0  0
  4 23  1  0  0  0  0
  5  8  1  0  0  0  0
  5  9  1  0  0  0  0
  5 24  1  0  0  0  0
  6 25  1  0  0  0  0
  6 26  1  0  0  0  0
  7 10  2  0  0  0  0
  7 11  1  0  0  0  0
  8 27  1  0  0  0  0
  8 31  1  0  0  0  0
  8 32  1  0  0  0  0
  9 28  1  0  0  0  0
  9 29  1  0  0  0  0
  9 30  1  0  0  0  0
 10 13  1  0  0  0  0
 10 34  1  0  0  0  0
 11 14  2  0  0  0  0
 11 35  1  0  0  0  0
 12 16  1  0  0  0  0
 13 15  2  0  0  0  0
 13 36  1  0  0  0  0
 14 15  1  0  0  0  0
 14 37  1  0  0  0  0
 15 38  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  2  0  0  0  0
 17 19  2  0  0  0  0
 18 20  1  0  0  0  0
 18 39  1  0  0  0  0
 19 21  1  0  0  0  0
 19 40  1  0  0  0  0
 20 21  2  0  0  0  0
 20 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
M  END

$$$$
D04UVL
  -OEChem-10101305022D

 27 28  0     0  0  0  0  0  0999 V2000
    6.0010   -0.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -0.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -1.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    2.7500    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
    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
    5.1350    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   -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
    6.0010    1.7500    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
    6.0010    2.7500    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
    3.7320    0.0600    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
    2.8660   -3.0600    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
    4.2690   -3.8700    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
    3.7320    1.4400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -0.6300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5380    3.0600    0.0000 H   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
  1  9  2  0  0  0  0
  2  5  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 24  1  0  0  0  0
  3 25  1  0  0  0  0
  4 14  1  0  0  0  0
  4 16  2  0  0  0  0
  5  6  1  0  0  0  0
  5  7  2  0  0  0  0
  6 10  2  0  0  0  0
  7 11  1  0  0  0  0
  7 18  1  0  0  0  0
  8  9  1  0  0  0  0
  8 13  1  0  0  0  0
  8 14  2  0  0  0  0
 10 12  1  0  0  0  0
 10 19  1  0  0  0  0
 11 12  2  0  0  0  0
 11 20  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 23  1  0  0  0  0
 15 16  1  0  0  0  0
 15 26  1  0  0  0  0
 16 27  1  0  0  0  0
M  END

$$$$
D04UYB
  -OEChem-10101305032D

 48 51  0     1  0  0  0  0  0999 V2000
    9.9282   -0.5702    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1884    1.4231    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9166    2.4298    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6525    1.4365    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.5243   -0.0602    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2785    0.9369    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5301   -2.0977    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0602   -2.1218    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5301    0.9023    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.0735    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.1218    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0564    0.9264    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.9205    1.4298    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.0602   -0.0735    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   10.7884    0.9331    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.7923   -0.0669    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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   11.6602   -0.5635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2901   -0.0630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1962   -1.6185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2901   -2.1324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5301   -0.0977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6641   -0.5977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.0540    1.5464    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4562    1.7418    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0626   -0.6935    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7860    1.5531    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   12.0606   -1.0369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   10.4524    2.7418    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1 14  1  0  0  0  0
  1 16  1  0  0  0  0
 12  2  1  6  0  0  0
  2 38  1  0  0  0  0
 13  3  1  1  0  0  0
  3 39  1  0  0  0  0
 15  4  1  6  0  0  0
  4 40  1  0  0  0  0
  5 18  1  0  0  0  0
  5 42  1  0  0  0  0
  6 19  1  0  0  0  0
  6 43  1  0  0  0  0
  7 22  1  0  0  0  0
  7 26  1  0  0  0  0
  8 20  1  0  0  0  0
  8 44  1  0  0  0  0
  9 24  2  0  0  0  0
 10 29  1  0  0  0  0
 10 47  1  0  0  0  0
 11 30  1  0  0  0  0
 11 48  1  0  0  0  0
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 13 32  1  0  0  0  0
 14 17  1  0  0  0  0
 14 33  1  0  0  0  0
 15 16  1  0  0  0  0
 15 34  1  0  0  0  0
 16 18  1  1  0  0  0
 16 35  1  0  0  0  0
 17 19  2  0  0  0  0
 17 20  1  0  0  0  0
 18 36  1  0  0  0  0
 18 37  1  0  0  0  0
 19 21  1  0  0  0  0
 20 23  2  0  0  0  0
 21 22  2  0  0  0  0
 21 24  1  0  0  0  0
 22 23  1  0  0  0  0
 23 41  1  0  0  0  0
 24 25  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
 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
M  END

$$$$
D04UYO
  -OEChem-10111523512D

 54 55  0     1  0  0  0  0  0999 V2000
    3.4030   -1.1830    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   12.1273   -0.2238    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   11.7665    1.1436    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   10.7599   -0.5846    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    2.3170    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    0.3170    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9030   -2.0490    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9030   -0.3170    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7991    0.2928    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -0.6830    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    4.2690    0.3170    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.4030    0.8170    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.4030    1.8170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    0.8170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    1.8170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9030    2.6830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4030    1.8170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0290    0.2823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -1.1830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0290    2.3516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -1.6830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9350    0.7962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9350    1.8378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -2.6830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6671    0.7895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5312    0.2862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3991    0.7828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2632    0.2795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8059    0.0070    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    0.1970    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4399    2.9930    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5930    3.2200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3660    2.3730    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4030    2.4370    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7830    1.8170    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4030    1.1970    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0218   -0.3376    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8250   -1.7200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6720   -1.4930    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4450   -0.6461    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.6270    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0218    2.9716    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3249   -1.1004    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9264   -1.7907    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4708    2.1499    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   10.7995    1.2562    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0024    1.2593    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 10  1  0  0  0  0
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  2 28  1  0  0  0  0
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 12  6  1  1  0  0  0
  6 41  1  0  0  0  0
  9 22  1  0  0  0  0
  9 25  1  0  0  0  0
 11 10  1  6  0  0  0
 10 19  1  0  0  0  0
 11 12  1  0  0  0  0
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 13 16  1  0  0  0  0
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 14 15  2  0  0  0  0
 14 18  1  0  0  0  0
 15 20  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 34  1  0  0  0  0
 17 35  1  0  0  0  0
 17 36  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 23  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
 21 44  1  0  0  0  0
 22 23  1  0  0  0  0
 23 45  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  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
 26 52  1  0  0  0  0
 27 28  1  0  0  0  0
 27 53  1  0  0  0  0
 27 54  1  0  0  0  0
M  END

$$$$
D04UYZ
  -OEChem-10101305022D

 30 31  0     1  0  0  0  0  0999 V2000
    2.8660    1.8988    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.3988    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5116    1.4921    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.1012    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.8660   -1.1012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.3988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.3988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.6012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.6012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.8988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.6012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.6012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7026    2.8933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.1012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1808    2.2352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6808    3.1012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.5188    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.0888    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    1.4631   -1.2912    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    1.4631   -2.9112    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -2.9112    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6405    0.8856    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8660   -3.7212    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    5.9329    3.6676    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  2  0  0  0  0
  2  4  1  0  0  0  0
  2  7  1  0  0  0  0
  2 18  1  0  0  0  0
  3 10  1  0  0  0  0
  3 15  1  0  0  0  0
  3 26  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4 17  1  0  0  0  0
  5  8  2  0  0  0  0
  5  9  1  0  0  0  0
  6 19  1  0  0  0  0
  6 20  1  0  0  0  0
  6 21  1  0  0  0  0
  7 10  1  0  0  0  0
  8 11  1  0  0  0  0
  8 22  1  0  0  0  0
  9 12  2  0  0  0  0
  9 23  1  0  0  0  0
 10 13  2  0  0  0  0
 11 14  2  0  0  0  0
 11 24  1  0  0  0  0
 12 14  1  0  0  0  0
 12 25  1  0  0  0  0
 13 16  1  0  0  0  0
 13 27  1  0  0  0  0
 14 28  1  0  0  0  0
 15 16  2  0  0  0  0
 15 29  1  0  0  0  0
 16 30  1  0  0  0  0
M  END

$$$$
D04VBD
  -OEChem-10101305022D

 28 29  0     0  0  0  0  0  0999 V2000
    2.0000   -2.3373    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    7.5013   -0.1202    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8550    0.4179    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5443   -2.1421    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1279   -1.3373    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.8373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5443   -0.5326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.8373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1441    1.5747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1226    1.7809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8335    0.6241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7320   -2.3373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1 16  1  0  0  0  0
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  3  7  1  0  0  0  0
  3 11  1  0  0  0  0
  3 21  1  0  0  0  0
  4  5  1  0  0  0  0
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  4 23  1  0  0  0  0
  5  7  2  0  0  0  0
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  6 12  1  0  0  0  0
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  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 17  1  0  0  0  0
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 10 14  1  0  0  0  0
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 12 15  2  0  0  0  0
 12 22  1  0  0  0  0
 13 16  2  0  0  0  0
 13 24  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
 15 28  1  0  0  0  0
M  END

$$$$
D04VCE
  -OEChem-10101305022D

 59 62  0     1  0  0  0  0  0999 V2000
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    9.0439    4.2688    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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   10.6708    1.7874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.6592    2.7874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1 29  1  0  0  0  0
  2 29  1  0  0  0  0
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 22 10  1  6  0  0  0
 10 54  1  0  0  0  0
 11 30  1  0  0  0  0
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 13 14  1  0  0  0  0
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 18 21  2  0  0  0  0
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 20 25  2  0  0  0  0
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 21 24  1  0  0  0  0
 21 28  1  0  0  0  0
 22 29  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
 24 27  2  0  0  0  0
 24 49  1  0  0  0  0
 25 30  1  0  0  0  0
 25 50  1  0  0  0  0
 26 31  2  0  0  0  0
 26 51  1  0  0  0  0
 27 52  1  0  0  0  0
 28 33  2  0  0  0  0
 28 34  1  0  0  0  0
 30 32  2  0  0  0  0
 31 32  1  0  0  0  0
 31 53  1  0  0  0  0
 32 55  1  0  0  0  0
 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 37  2  0  0  0  0
 36 37  1  0  0  0  0
 36 58  1  0  0  0  0
 37 59  1  0  0  0  0
M  END

$$$$
D04VFS
  -OEChem-10101305022D

 31 31  0     1  0  0  0  0  0999 V2000
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    2.8660   -2.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.5981    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1 10  1  0  0  0  0
  1 29  1  0  0  0  0
  2 11  1  0  0  0  0
  2 30  1  0  0  0  0
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  6  7  1  0  0  0  0
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 10 23  1  0  0  0  0
 10 24  1  0  0  0  0
 12 14  1  0  0  0  0
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 13 15  2  0  0  0  0
 13 26  1  0  0  0  0
 14 16  2  0  0  0  0
 14 17  1  0  0  0  0
 15 16  1  0  0  0  0
 15 27  1  0  0  0  0
 16 28  1  0  0  0  0
M  END

$$$$
D04VFW
          08051000312D 1   1.00000     0.00000     0

 32 36  0     0  0            999 V2000
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  2  1  1  0     0  0
  3  2  1  0     0  0
  4  3  1  0     0  0
  5  4  1  0     0  0
  6  5  1  0     0  0
  1  6  1  0     0  0
  1  7  1  1     0  0
  4  8  1  6     0  0
 10  9  1  0     0  0
 11 10  1  0     0  0
 12 11  1  0     0  0
 13 12  1  0     0  0
 14 13  1  0     0  0
 15 14  1  0     0  0
 16 15  1  0     0  0
 17 16  1  0     0  0
 18 17  1  0     0  0
 19 18  1  0     0  0
  9 14  1  0     0  0
 19 14  1  0     0  0
 11 20  1  0     0  0
 11 21  1  0     0  0
  8 17  1  0     0  0
 23 22  1  0     0  0
 24 23  2  0     0  0
 25 24  1  0     0  0
 26 25  2  0     0  0
 27 26  1  0     0  0
 28 27  2  0     0  0
 29 28  1  0     0  0
 30 29  2  0     0  0
 31 30  1  0     0  0
 31 22  2  0     0  0
 31 26  1  0     0  0
 29 32  1  0     0  0
  7 25  1  0     0  0
M  END

$$$$
D04VGL
  -OEChem-10191521332D

 42 44  0     1  0  0  0  0  0999 V2000
    3.7320    2.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  1 16  2  0  0  0  0
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  4 23  1  0  0  0  0
  5 24  1  0  0  0  0
  5 25  1  0  0  0  0
  6  8  1  0  0  0  0
  6 26  1  0  0  0  0
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  7 10  2  0  0  0  0
  8 11  2  0  0  0  0
  9 12  2  0  0  0  0
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 10 14  1  0  0  0  0
 10 29  1  0  0  0  0
 11 15  1  0  0  0  0
 11 30  1  0  0  0  0
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 13 19  2  0  0  0  0
 13 32  1  0  0  0  0
 14 15  2  0  0  0  0
 14 33  1  0  0  0  0
 15 34  1  0  0  0  0
 16 17  1  0  0  0  0
 17 21  1  0  0  0  0
 17 35  1  0  0  0  0
 17 36  1  0  0  0  0
 18 20  2  0  0  0  0
 18 37  1  0  0  0  0
 19 20  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
 21 41  1  0  0  0  0
 21 42  1  0  0  0  0
M  END

$$$$
D04VJE
  -OEChem-10101305022D

 48 51  0     1  0  0  0  0  0999 V2000
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    9.4651    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.9950    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4950   -0.3660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.9950   -1.2320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.4030   -0.5000    0.0000 C   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
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  1 22  1  0  0  0  0
  2 27  2  0  0  0  0
  3  6  1  0  0  0  0
  3  7  1  0  0  0  0
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  4 22  2  0  0  0  0
  4 26  1  0  0  0  0
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  5 47  1  0  0  0  0
  5 48  1  0  0  0  0
  6  8  1  0  0  0  0
  6 28  1  0  0  0  0
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  7  9  1  0  0  0  0
  7 30  1  0  0  0  0
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  8  9  2  0  0  0  0
  8 12  1  0  0  0  0
  9 13  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 16  1  0  0  0  0
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 11 35  1  0  0  0  0
 12 14  2  0  0  0  0
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 13 15  2  0  0  0  0
 13 37  1  0  0  0  0
 14 15  1  0  0  0  0
 15 38  1  0  0  0  0
 16 17  2  0  0  0  0
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 17 39  1  0  0  0  0
 18 20  2  0  0  0  0
 18 40  1  0  0  0  0
 19 21  2  0  0  0  0
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 20 21  1  0  0  0  0
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 21 43  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  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 26  2  0  0  0  0
 25 27  1  0  0  0  0
 26 46  1  0  0  0  0
M  END

$$$$
D04VLI
  -OEChem-10101305022D

 24 24  0     0  0  0  0  0  0999 V2000
    3.4030    2.2500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -3.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4030    2.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4030    2.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    3.2500    0.0000 N   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   -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   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -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
    2.5369    0.7500    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
    3.6150   -2.3326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8059   -0.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1  3  2  0  0  0  0
  1  4  2  0  0  0  0
  1  5  1  0  0  0  0
  1  8  1  0  0  0  0
  2 13  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  7  1  0  0  0  0
  6  9  2  0  0  0  0
  6 10  1  0  0  0  0
  7 13  1  0  0  0  0
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  8 11  2  0  0  0  0
  8 12  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 18  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
M  END

$$$$
D04VNR
  -OEChem-10101305032D

 30 32  0     0  0  0  0  0  0999 V2000
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    2.5000    0.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0468   -0.2607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1808   -0.7607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 10 12  1  0  0  0  0
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 13 15  1  0  0  0  0
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 14 16  1  0  0  0  0
 14 28  1  0  0  0  0
 15 16  2  0  0  0  0
 15 29  1  0  0  0  0
 16 30  1  0  0  0  0
M  END

$$$$
D04VNS
  -OEChem-10191521382D

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107194  1  0  0  0  0
M  END

$$$$
D04VOI
  -OEChem-10191521552D

 49 51  0     0  0  0  0  0  0999 V2000
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 21 47  1  0  0  0  0
 22 23  2  0  0  0  0
 23 49  1  0  0  0  0
M  END

$$$$
D04VOM
  -OEChem-04152109542D

 87 92  0     1  0  0  0  0  0999 V2000
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 22 23  1  0  0  0  0
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 28 68  1  0  0  0  0
 29 31  1  0  0  0  0
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 30 33  2  0  0  0  0
 31 34  1  0  0  0  0
 31 72  1  0  0  0  0
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 33 36  1  0  0  0  0
 33 74  1  0  0  0  0
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 38 42  2  0  0  0  0
 38 79  1  0  0  0  0
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 40 44  1  0  0  0  0
 40 80  1  0  0  0  0
 40 81  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
 43 84  1  0  0  0  0
 44 45  1  0  0  0  0
 44 85  1  0  0  0  0
 44 86  1  0  0  0  0
M  END

$$$$
D04VPF
  -OEChem-10191521322D

 11 10  0     0  0  0  0  0  0999 V2000
    2.5369   -0.2500    0.0000 S   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
    6.0010   -0.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    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  0  0  0  0  0  0  0  0  0  0
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    3.8015    0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0044    0.7249    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
    6.5380    0.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1 10  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  3 11  1  0  0  0  0
  4  7  2  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  5  9  1  0  0  0  0
  6  7  1  0  0  0  0
M  END

$$$$
D04VPH
  -OEChem-10191521512D

 55 58  0     0  0  0  0  0  0999 V2000
   15.4975    1.4799    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8857    2.0276    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.4975    3.2120    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3644   -2.7219    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7657   -3.7400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.4139    3.1507    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.7651    0.3514    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.7869    0.1435    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7046    0.3051    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.4677    1.8460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7356    1.8460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4677    2.8460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8696    1.3460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6016    1.3460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7356    2.8460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4139    1.5412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6016    3.3460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9975    2.3460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9560    1.7527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.7101    0.4096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9975    2.3460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1223   -0.3994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1278   -0.2949    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5290   -1.3130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5400   -1.1039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9413   -2.1220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   16.4975    1.4799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9975    0.6139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3590   -2.8265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6016    0.7260    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1987    3.1560    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.6065    0.9519    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.6016    3.9660    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.6065    3.7400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8271    2.3592    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0934   -0.7784    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9690   -0.7326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9231    0.1431    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8810    1.0056    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1528    0.6814    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9568   -0.2613    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8756    0.2715    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   17.0801    1.6920    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   17.5344    0.9239    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.2235    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 24  1  0  0  0  0
  1 31  1  0  0  0  0
  2 22  2  0  0  0  0
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  4 55  1  0  0  0  0
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  7  8  1  0  0  0  0
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 10 12  2  0  0  0  0
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 16 36  1  0  0  0  0
 17 37  1  0  0  0  0
 18 24  1  0  0  0  0
 19 20  1  0  0  0  0
 19 39  1  0  0  0  0
 20 22  1  0  0  0  0
 21 40  1  0  0  0  0
 21 41  1  0  0  0  0
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 23 25  1  0  0  0  0
 23 43  1  0  0  0  0
 23 44  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 46  1  0  0  0  0
 27 29  2  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 33  1  0  0  0  0
 31 32  1  0  0  0  0
 31 50  1  0  0  0  0
 31 51  1  0  0  0  0
 32 52  1  0  0  0  0
 32 53  1  0  0  0  0
 32 54  1  0  0  0  0
M  END

$$$$
D04VQM
  -OEChem-10101305022D

 29 31  0     0  0  0  0  0  0999 V2000
    2.0000   -1.6480    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    5.4432   -0.9161    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.6636   -1.0094    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.9432   -1.7821    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9432   -0.0501    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    8.0692    0.5492    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3092    0.5839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1753    1.0839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1753    2.0839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5772   -1.4161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4432    1.0839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1 20  1  0  0  0  0
  2  4  2  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  2 11  1  0  0  0  0
  3 11  1  0  0  0  0
  3 20  1  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 19  2  0  0  0  0
  8  9  1  0  0  0  0
  8 12  2  0  0  0  0
  9 10  2  0  0  0  0
 10 13  1  0  0  0  0
 10 15  1  0  0  0  0
 11 16  2  0  0  0  0
 12 14  1  0  0  0  0
 12 22  1  0  0  0  0
 13 14  2  0  0  0  0
 13 23  1  0  0  0  0
 14 24  1  0  0  0  0
 15 17  2  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 19  1  0  0  0  0
 17 27  1  0  0  0  0
 18 20  2  0  0  0  0
 18 28  1  0  0  0  0
 19 29  1  0  0  0  0
M  END

$$$$
D04VRY
  -OEChem-10101305022D

 43 46  0     0  0  0  0  0  0999 V2000
    7.1962    1.0194    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -1.9806    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7263    1.0436    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    3.5194    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.0000    2.0194    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.9806    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9641   -3.5194    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    2.5194    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.4806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.9806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.5194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -0.4806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -0.9806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    0.5194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.0194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9561   -1.0152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9561    1.0541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8622    0.5402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    2.0194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.5194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8622   -0.5014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2731   -2.5684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6551   -2.5684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.5194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.0194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.0194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9641   -3.5194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5942    0.5469    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2520   -0.3980    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8535   -1.0882    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9490   -1.6352    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9490    1.6740    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    2.3294    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.1006    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3979   -0.8135    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8628   -2.3768    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0654   -2.3768    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    3.1394    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951    0.7094    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3285   -4.0210    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2863    0.0088    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.1324    0.2390    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9022    1.0850    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 13  2  0  0  0  0
  3 18  1  0  0  0  0
  3 28  1  0  0  0  0
  4  8  1  0  0  0  0
  5  8  2  0  0  0  0
  6 10  1  0  0  0  0
  6 22  1  0  0  0  0
  6 23  1  0  0  0  0
  7 23  2  0  0  0  0
  7 27  1  0  0  0  0
  8 26  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 29  1  0  0  0  0
 10 30  1  0  0  0  0
 11 15  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  2  0  0  0  0
 12 16  1  0  0  0  0
 14 17  1  0  0  0  0
 15 19  2  0  0  0  0
 15 20  1  0  0  0  0
 16 21  2  0  0  0  0
 16 31  1  0  0  0  0
 17 18  2  0  0  0  0
 17 32  1  0  0  0  0
 18 21  1  0  0  0  0
 19 24  1  0  0  0  0
 19 33  1  0  0  0  0
 20 25  2  0  0  0  0
 20 34  1  0  0  0  0
 21 35  1  0  0  0  0
 22 27  2  0  0  0  0
 22 36  1  0  0  0  0
 23 37  1  0  0  0  0
 24 26  2  0  0  0  0
 24 38  1  0  0  0  0
 25 26  1  0  0  0  0
 25 39  1  0  0  0  0
 27 40  1  0  0  0  0
 28 41  1  0  0  0  0
 28 42  1  0  0  0  0
 28 43  1  0  0  0  0
M  CHG  2   4  -1   8   1
M  END

$$$$
D04VSP
  -OEChem-10101305032D

 23 23  0     0  0  0  0  0  0999 V2000
    5.4641    0.8450    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.1550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4641    0.8450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4641    0.8450    0.0000 O   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
    6.3301   -1.6550    0.0000 N   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
    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
    2.8660   -0.6550    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
    2.0000   -0.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -0.3450    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0611   -1.9650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4675   -1.1300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2646   -1.1300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -2.7750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100    0.3819    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    0.1550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -0.6919    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    2.1550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9272    2.1550    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  5  1  0  0  0  0
  1  7  1  0  0  0  0
  2  8  1  0  0  0  0
  2 11  1  0  0  0  0
  5 22  1  0  0  0  0
  5 23  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 10  1  0  0  0  0
  9 14  1  0  0  0  0
 10 12  2  0  0  0  0
 10 15  1  0  0  0  0
 11 13  1  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
 13 19  1  0  0  0  0
 13 20  1  0  0  0  0
 13 21  1  0  0  0  0
M  END

$$$$
D04VXP
  -OEChem-10101305022D

 28 30  0     0  0  0  0  0  0999 V2000
    4.6783   -2.6147    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.1900    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    2.1900    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.3100    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.6900    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
    2.0000    1.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.6900    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
    3.7320   -1.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783   -1.0053    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
    2.0000   -2.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2619   -1.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3894    0.7977    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7880    0.1074    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9441    0.1074    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3426    0.7977    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7880    2.2726    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3894    1.5823    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3426    1.5823    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9441    2.2726    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    2.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8709   -0.4159    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.4300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -2.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8819   -1.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  0  0  0  0
  1 15  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  2  9  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  3 24  1  0  0  0  0
  4  9  2  0  0  0  0
  4 14  1  0  0  0  0
  5  7  1  0  0  0  0
  5 16  1  0  0  0  0
  5 17  1  0  0  0  0
  6  8  1  0  0  0  0
  6 18  1  0  0  0  0
  6 19  1  0  0  0  0
  7 20  1  0  0  0  0
  7 21  1  0  0  0  0
  8 22  1  0  0  0  0
  8 23  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 11 13  1  0  0  0  0
 12 15  2  0  0  0  0
 12 25  1  0  0  0  0
 13 14  2  0  0  0  0
 13 26  1  0  0  0  0
 14 27  1  0  0  0  0
 15 28  1  0  0  0  0
M  END

$$$$
D04VYT
  -OEChem-10101305022D

406410  0     1  0  0  0  0  0999 V2000
   59.4806   22.5825    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   18.1736  -21.7992    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.9292  -22.3532    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.7699  -21.5413    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.3312  -24.8532    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   57.1627   20.0081    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   56.9548   19.0300    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.6505  -17.9377    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.1972  -20.3532    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.4651  -20.3532    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5991  -22.3532    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.1642  -16.5994    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   60.4588   22.3745    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   58.5025   22.7904    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.0052  -17.8866    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7331  -26.8532    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   25.2468  -17.6798    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   57.0742   15.4264    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.4651  -26.8532    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8671  -24.8532    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   26.7331  -19.0180    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   25.5741  -20.3052    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   56.8663   14.4483    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   26.1979  -17.3707    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1350  -22.3532    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   53.4779   15.1685    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2690  -20.3532    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   28.6352  -18.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369  -23.3532    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   26.9410  -18.0399    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   29.2589  -15.4655    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030  -24.8532    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   53.5973   11.5649    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690  -20.3532    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   53.3894   10.5868    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   29.1395  -11.8620    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   50.0010   11.3070    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   32.5279  -12.5822    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   32.7358  -11.6041    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   50.1204    7.7034    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   49.9124    6.7253    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   46.5240    7.4455    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   32.6164   -8.0005    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   36.0048   -8.7207    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   36.2127   -7.7426    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   46.6435    3.8419    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   46.4355    2.8638    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   43.0471    3.5840    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   36.0933   -4.1390    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   39.4817   -4.8592    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   39.6896   -3.8811    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   43.1666   -0.0196    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   39.5702   -0.2775    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   42.9586   -0.9977    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.7088  -23.4465    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   20.0757  -21.1811    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.0632  -23.8532    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   58.8569   19.6480    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   22.1857  -19.5850    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.3312  -23.3532    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   59.2727   21.6043    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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M  END

$$$$
D04VYZ
  -OEChem-10101305022D

 51 55  0     1  0  0  0  0  0999 V2000
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 30 50  1  0  0  0  0
 31 51  1  0  0  0  0
M  END

$$$$
D04WBU
  -OEChem-10101305022D

 24 25  0     0  0  0  0  0  0999 V2000
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 11 15  1  0  0  0  0
 11 16  1  0  0  0  0
 12 18  1  0  0  0  0
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 12 20  1  0  0  0  0
 13 21  1  0  0  0  0
 13 22  1  0  0  0  0
 13 23  1  0  0  0  0
 14 24  1  0  0  0  0
M  END

$$$$
D04WCH
  -OEChem-10101305022D

 42 43  0     0  0  0  0  0  0999 V2000
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  1 10  2  0  0  0  0
  2 11  2  0  0  0  0
  3  8  1  0  0  0  0
  3  9  1  0  0  0  0
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 16 32  1  0  0  0  0
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 18 36  1  0  0  0  0
 19 37  1  0  0  0  0
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 20 40  1  0  0  0  0
 20 41  1  0  0  0  0
 20 42  1  0  0  0  0
M  END

$$$$
D04WFN
  -OEChem-10191521462D

 61 64  0     0  0  0  0  0  0999 V2000
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 20 46  1  0  0  0  0
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 22 31  1  0  0  0  0
 22 48  1  0  0  0  0
 22 49  1  0  0  0  0
 23 30  1  0  0  0  0
 23 50  1  0  0  0  0
 23 51  1  0  0  0  0
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 24 28  2  0  0  0  0
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 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 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
 31 59  1  0  0  0  0
 31 60  1  0  0  0  0
 31 61  1  0  0  0  0
M  END

$$$$
D04WGR
  -OEChem-10101305022D

 32 34  0     0  0  0  0  0  0999 V2000
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    4.5981   -2.7673    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  2 20  3  0  0  0  0
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  4  7  2  0  0  0  0
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  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
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 10 24  1  0  0  0  0
 11 15  2  0  0  0  0
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 13 16  1  0  0  0  0
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 15 28  1  0  0  0  0
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 17 20  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
 19 32  1  0  0  0  0
M  END

$$$$
D04WHE
  -OEChem-10101305022D

 24 25  0     0  0  0  0  0  0999 V2000
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 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
 13 22  1  0  0  0  0
M  END

$$$$
D04WHH
  -OEChem-04152109492D

 35 37  0     0  0  0  0  0  0999 V2000
    5.5443   -0.1353    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.5981   -0.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.4379   -1.4769    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1 11  1  0  0  0  0
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  5  6  1  0  0  0  0
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  5 10  1  0  0  0  0
  6  8  1  0  0  0  0
  6 21  1  0  0  0  0
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  8 14  1  0  0  0  0
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 10 13  2  0  0  0  0
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 14 27  1  0  0  0  0
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 18 20  2  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
M  END

$$$$
D04WHO
  -OEChem-10191521492D

 64 68  0     1  0  0  0  0  0999 V2000
   10.5109   -3.1012    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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 30 55  1  0  0  0  0
 31 35  1  0  0  0  0
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 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
M  END

$$$$
D04WIA
  -OEChem-04152109452D

 30 33  0     0  0  0  0  0  0999 V2000
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  1 11  2  0  0  0  0
  2  4  1  0  0  0  0
  2  6  1  0  0  0  0
  2 11  1  0  0  0  0
  3  8  1  0  0  0  0
  3 11  1  0  0  0  0
  3 22  1  0  0  0  0
  4 10  2  0  0  0  0
  5 14  1  0  0  0  0
  5 19  2  0  0  0  0
  6  7  1  0  0  0  0
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  7  8  1  0  0  0  0
  7 12  2  0  0  0  0
  8 13  2  0  0  0  0
  9 10  1  0  0  0  0
  9 21  1  0  0  0  0
 10 14  1  0  0  0  0
 12 15  1  0  0  0  0
 12 23  1  0  0  0  0
 13 16  1  0  0  0  0
 13 24  1  0  0  0  0
 14 17  2  0  0  0  0
 15 16  2  0  0  0  0
 15 25  1  0  0  0  0
 16 26  1  0  0  0  0
 17 18  1  0  0  0  0
 17 27  1  0  0  0  0
 18 20  2  0  0  0  0
 18 28  1  0  0  0  0
 19 20  1  0  0  0  0
 19 29  1  0  0  0  0
 20 30  1  0  0  0  0
M  END

$$$$
D04WJN
  -OEChem-10101305022D

 33 36  0     0  0  0  0  0  0999 V2000
    4.6660   -1.4827    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660    1.5173    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0641   -1.0102    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.6481   -0.6799    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3321   -1.0035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.1962   -1.5068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4260   -1.5173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000    0.0173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660    0.5173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.1725   -0.0160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9761   -1.4204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0000   -1.0035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1514    0.1881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.1026   -2.0274    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   10.4058    0.7535    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1 14  1  0  0  0  0
  2 11  2  0  0  0  0
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  3 18  1  0  0  0  0
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  5  9  2  0  0  0  0
  5 12  1  0  0  0  0
  6  7  2  0  0  0  0
  6 11  1  0  0  0  0
  6 13  1  0  0  0  0
  7  9  1  0  0  0  0
  8 22  1  0  0  0  0
  8 23  1  0  0  0  0
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 10 11  1  0  0  0  0
 10 14  1  0  0  0  0
 10 15  2  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 16  2  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 21  2  0  0  0  0
 17 29  1  0  0  0  0
 18 30  1  0  0  0  0
 19 20  2  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
M  END

$$$$
D04WLH
  -OEChem-10101305022D

 55 55  0     0  0  0  0  0  0999 V2000
    5.4641   -5.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -5.5000    0.0000 O   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
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    5.4641    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.3301    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
    6.3301    2.0000    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
    7.1962    2.5000    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
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    4.5981   -5.0000    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
    3.7320   -5.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.4641    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
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    5.6762   -1.0826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.3860   -0.4174    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9875   -1.1077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8535    0.3923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    5.2087   -1.8923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5422    0.4174    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9407    1.1077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5200   -1.9174    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  7 32  1  0  0  0  0
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 10 12  2  0  0  0  0
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 11 14  2  0  0  0  0
 11 38  1  0  0  0  0
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 13 15  2  0  0  0  0
 13 40  1  0  0  0  0
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 18 44  1  0  0  0  0
 19 21  2  0  0  0  0
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 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
 20 46  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
 22 49  1  0  0  0  0
 22 50  1  0  0  0  0
 23 53  1  0  0  0  0
 23 54  1  0  0  0  0
 23 55  1  0  0  0  0
M  END

$$$$
D04WPA
  -OEChem-10191522232D

 35 36  0     0  0  0  0  0  0999 V2000
    5.4641    0.9400    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.0600    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.3660   -2.4260    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.3660   -0.6940    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.5600    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
    2.8660    0.4400    0.0000 N   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
    3.7320   -2.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.3301    1.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 11 15  1  0  0  0  0
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 17 18  2  0  0  0  0
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 18 28  1  0  0  0  0
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 20 22  1  0  0  0  0
 21 30  1  0  0  0  0
 22 31  1  0  0  0  0
M  END

$$$$
D04WPM
  -OEChem-10101305032D

 55 57  0     1  0  0  0  0  0999 V2000
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 35 55  1  0  0  0  0
M  END

$$$$
D04WRO
  -OEChem-10101305022D

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M  END

$$$$
D04WVG
  -OEChem-04152109502D

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M  END

$$$$
D04WVV
  -OEChem-10101305022D

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M  END

$$$$
D04WWM
  -OEChem-10101305032D

 38 41  0     1  0  0  0  0  0999 V2000
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 14 36  1  0  0  0  0
 15 37  1  0  0  0  0
 15 38  1  0  0  0  0
M  END

$$$$
D04WWO
  -OEChem-10101305032D

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 33 60  1  0  0  0  0
 33 61  1  0  0  0  0
M  END

$$$$
D04WXI
  -OEChem-10191522332D

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 16 19  1  0  0  0  0
 16 35  1  0  0  0  0
 16 36  1  0  0  0  0
 17 20  1  0  0  0  0
 17 37  1  0  0  0  0
 17 38  1  0  0  0  0
 18 25  1  0  0  0  0
 18 39  1  0  0  0  0
 19 40  1  0  0  0  0
 19 41  1  0  0  0  0
 20 28  2  0  0  0  0
 21 23  2  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
 25 27  2  0  0  0  0
 25 45  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
 29 50  1  0  0  0  0
M  END

$$$$
D04XBZ
  -OEChem-10101305032D

 37 37  0     1  0  0  0  0  0999 V2000
    3.7320    0.8450    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
    2.8660    0.3450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2320    1.7110    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2320   -0.0210    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.3450    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.3450    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.3301    1.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    0.8450    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    0.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.1550    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
    2.0000   -2.1550    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
    2.8660   -2.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0656    0.3701    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8626    0.3701    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    1.6550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7287    1.8200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9316    1.8200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7976    0.3701    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5947    0.3701    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4607    1.8200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    5.1350    2.6550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0611    2.6550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6182    0.3081    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651    0.5350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2382    1.3819    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6120    1.7110    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -0.8450    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -0.8450    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -2.4650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -2.4650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.2750    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  7  1  0  0  0  0
  2 12  1  0  0  0  0
  3 32  1  0  0  0  0
  5  7  1  0  0  0  0
  5 27  1  0  0  0  0
  5 28  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6 18  1  0  0  0  0
  6 19  1  0  0  0  0
  7 20  1  0  0  0  0
  8  9  1  0  0  0  0
  8 21  1  0  0  0  0
  8 22  1  0  0  0  0
  9 10  1  0  0  0  0
  9 23  1  0  0  0  0
  9 24  1  0  0  0  0
 10 11  1  0  0  0  0
 10 25  1  0  0  0  0
 10 26  1  0  0  0  0
 11 29  1  0  0  0  0
 11 30  1  0  0  0  0
 11 31  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 13 15  1  0  0  0  0
 13 33  1  0  0  0  0
 14 16  2  0  0  0  0
 14 34  1  0  0  0  0
 15 17  2  0  0  0  0
 15 35  1  0  0  0  0
 16 17  1  0  0  0  0
 16 36  1  0  0  0  0
 17 37  1  0  0  0  0
M  END

$$$$
D04XCB
  -OEChem-10101305022D

 53 53  0     1  0  0  0  0  0999 V2000
    8.0622    5.9400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    5.9400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    4.4400    0.0000 N   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
    4.5981   -2.0600    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
    5.4641   -1.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    2.9400    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
    5.4641    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  3  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
    5.4641    1.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -6.0600    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
    4.5981   -0.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    4.4400    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
    4.5981    0.9400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -6.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    5.4400    0.0000 C   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
    3.5200   -2.9774    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1215   -3.6677    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3860   -1.4774    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9875   -2.1677    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9441   -5.1426    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3426   -4.4523    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6762   -2.1426    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0747   -1.4523    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5422    2.3574    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.6540   -4.4774    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    3.0781   -6.6426    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4766   -5.9523    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -0.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0611   -0.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4082    3.8574    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8067    4.5477    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    1.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0611    1.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    5.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9272    4.1300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    1.4631   -6.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   -7.0969    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    6.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 22  1  0  0  0  0
  1 53  1  0  0  0  0
  2 22  2  0  0  0  0
  3 12  1  0  0  0  0
  3 48  1  0  0  0  0
  3 49  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4 23  1  0  0  0  0
  4 24  1  0  0  0  0
  5  7  1  0  0  0  0
  5 25  1  0  0  0  0
  5 26  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 10  1  0  0  0  0
  7 29  1  0  0  0  0
  7 30  1  0  0  0  0
  8 13  1  0  0  0  0
  8 31  1  0  0  0  0
  8 32  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
  9 34  1  0  0  0  0
 10 15  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 37  1  0  0  0  0
 11 38  1  0  0  0  0
 12 18  1  0  0  0  0
 12 39  1  0  0  0  0
 13 16  2  0  0  0  0
 13 17  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 40  1  0  0  0  0
 15 41  1  0  0  0  0
 16 19  1  0  0  0  0
 16 42  1  0  0  0  0
 17 20  2  0  0  0  0
 17 43  1  0  0  0  0
 18 22  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
 20 47  1  0  0  0  0
 21 50  1  0  0  0  0
 21 51  1  0  0  0  0
 21 52  1  0  0  0  0
M  END

$$$$
D04XDS
  -OEChem-10101305032D

 17 16  0     0  0  0  0  0  0999 V2000
    2.5369    0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -0.7500    0.0000 O   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
    4.2690    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    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
    6.8671    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7365   -0.2249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5335   -0.2249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6675    1.2250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8705    1.2250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3996    1.2250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6025    1.2250    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
    8.2700    0.4400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
  1 16  1  0  0  0  0
  2  9  1  0  0  0  0
  2 17  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  2  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6  8  1  0  0  0  0
  6 12  1  0  0  0  0
  6 13  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
M  END

$$$$
D04XED
  -OEChem-10101305032D

 29 29  0     1  0  0  0  0  0999 V2000
    6.3301    0.8770    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -1.1230    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.3770    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.8770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.3770    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.4641   -0.6230    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.7320    0.3770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.1230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.6230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0981    1.7430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0981    1.7430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.1230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.8770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.9970    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.9966   -1.5980    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6350    1.4330    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7881    2.2800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  5  1  1  1  0  0  0
  1 27  1  0  0  0  0
  6  2  1  6  0  0  0
  2 29  1  0  0  0  0
  3 13  2  0  0  0  0
  4  5  1  0  0  0  0
  4  7  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 14  1  0  0  0  0
  6  8  1  0  0  0  0
  6 15  1  0  0  0  0
  7  9  2  0  0  0  0
  7 13  1  0  0  0  0
  8  9  1  0  0  0  0
  8 16  1  0  0  0  0
  8 17  1  0  0  0  0
  9 12  1  0  0  0  0
 10 18  1  0  0  0  0
 10 19  1  0  0  0  0
 10 20  1  0  0  0  0
 11 21  1  0  0  0  0
 11 22  1  0  0  0  0
 11 23  1  0  0  0  0
 12 24  1  0  0  0  0
 12 25  1  0  0  0  0
 12 26  1  0  0  0  0
 13 28  1  0  0  0  0
M  END

$$$$
D04XFN
  -OEChem-10101305022D

 48 51  0     0  0  0  0  0  0999 V2000
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    5.4641   -0.7296    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    5.4641    2.2704    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5942   -0.2638    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7320   -1.7296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.2296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0000   -0.7296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.4544   -1.7671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3263   -0.2704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3185   -2.2704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1903   -0.7738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1865   -1.7738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.7222   -2.0858    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 11  1  0  0  0  0
  2 13  1  0  0  0  0
  3 18  1  0  0  0  0
  3 20  1  0  0  0  0
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 16 18  2  0  0  0  0
 16 37  1  0  0  0  0
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 17 38  1  0  0  0  0
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 19 39  1  0  0  0  0
 20 21  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
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 23 25  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 27  2  0  0  0  0
 25 46  1  0  0  0  0
 26 27  1  0  0  0  0
 26 47  1  0  0  0  0
 27 48  1  0  0  0  0
M  END

$$$$
D04XGX
  -OEChem-10101305022D

 40 43  0     0  0  0  0  0  0999 V2000
    4.6304   -2.5294    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5961    0.5227    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8602   -2.5189    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.6304   -0.4601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8641    0.5294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  8  1  0  0  0  0
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 24 38  1  0  0  0  0
 24 39  1  0  0  0  0
 24 40  1  0  0  0  0
M  END

$$$$
D04XHX
  BIDD-NUS20110812001D

 54 57  0     0  0            999 V2000
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   -1.2765   -2.1521    0.0000 N   0  0  0  0  0  0           0  0  0
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 25 26  1  0     0  0
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 10 27  2  0     0  0
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 36 37  1  0     0  0
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 18 19  2  0     0  0
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 39 40  1  0     0  0
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 40 41  2  0     0  0
 21 20  1  0     0  0
 40 42  1  0     0  0
 20 53  2  0     0  0
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 53 18  1  0     0  0
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  5  6  1  0     0  0
 44 45  1  0     0  0
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 45 46  2  0     0  0
 21 22  1  0     0  0
 46 47  1  0     0  0
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 47 48  2  0     0  0
 22 23  2  0     0  0
 48 49  1  0     0  0
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 49 50  2  0     0  0
 50 45  1  0     0  0
 23 24  1  0     0  0
 48 51  1  0     0  0
  9 10  1  0     0  0
  2 52  2  0     0  0
 24 25  2  0     0  0
 11 12  1  0     0  0
 11 54  2  0     0  0
M  ENDM  END

$$$$
D04XJT
  -OEChem-10101305022D

 40 41  0     0  0  0  0  0  0999 V2000
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 18 27  1  0  0  0  0
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 20 33  1  0  0  0  0
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 22 38  1  0  0  0  0
 22 39  1  0  0  0  0
 22 40  1  0  0  0  0
M  END

$$$$
D04XLX
  -OEChem-10101305022D

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 25 39  1  0  0  0  0
 26 40  1  0  0  0  0
M  END

$$$$
D04XMZ
  -OEChem-10101305022D

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 25 40  1  0  0  0  0
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M  END

$$$$
D04XNH
  -OEChem-10101305022D

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  1  6  1  0  0  0  0
  1 11  1  0  0  0  0
  2 11  2  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3 23  1  0  0  0  0
  4  6  1  0  0  0  0
  4  8  1  0  0  0  0
  4 14  1  0  0  0  0
  5  7  1  0  0  0  0
  5  9  1  0  0  0  0
  5 15  1  0  0  0  0
  6  7  1  0  0  0  0
  6 16  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 10  1  0  0  0  0
  9 21  1  0  0  0  0
  9 22  1  0  0  0  0
 10 24  1  0  0  0  0
 10 25  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 26  1  0  0  0  0
 12 27  1  0  0  0  0
 13 28  1  0  0  0  0
 13 29  1  0  0  0  0
 13 30  1  0  0  0  0
M  END

$$$$
D04XNJ
  -OEChem-10191522362D

 25 27  0     0  0  0  0  0  0999 V2000
    4.6783    0.1316    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2619   -0.6731    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.3269    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.1732    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.6732    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.1731    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.1732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9889    1.0821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783   -1.4779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.6732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9674    1.2883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3211    1.8264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2781    2.2388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6318    2.7769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.1731    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6103    2.9832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8709   -2.0672    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3815    0.8269    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7144    1.6986    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8848    2.3667    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2177    3.2384    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    0.1369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8029    3.5725    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -2.9832    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -2.9832    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  6  1  0  0  0  0
  1  8  1  0  0  0  0
  2  9  2  0  0  0  0
  3  6  2  0  0  0  0
  3 15  1  0  0  0  0
  4 10  1  0  0  0  0
  4 15  2  0  0  0  0
  5 10  1  0  0  0  0
  5 24  1  0  0  0  0
  5 25  1  0  0  0  0
  6  7  1  0  0  0  0
  7  9  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 17  1  0  0  0  0
 11 13  1  0  0  0  0
 11 18  1  0  0  0  0
 12 14  2  0  0  0  0
 12 19  1  0  0  0  0
 13 16  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
 15 22  1  0  0  0  0
 16 23  1  0  0  0  0
M  END

$$$$
D04XOT
  -OEChem-10101305022D

 31 33  0     0  0  0  0  0  0999 V2000
    5.4641    0.0950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -2.9050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    2.5950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -1.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.4050    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
    7.2241   -1.9397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1301   -1.4258    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
    3.7320    0.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2241    0.1297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1301   -0.3842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9942   -1.9292    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
    2.0000    0.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2169   -2.5596    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0611   -1.7150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2169    0.7496    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6659   -0.0721    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    1.4050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.0250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6822   -2.4649    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5300   -2.2412    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    1.4631    1.4050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291    2.9050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1  6  1  0  0  0  0
  2  9  2  0  0  0  0
  3 17  1  0  0  0  0
  3 31  1  0  0  0  0
  4  5  2  0  0  0  0
  4  7  1  0  0  0  0
  4  9  1  0  0  0  0
  5 12  1  0  0  0  0
  6 10  1  0  0  0  0
  6 11  2  0  0  0  0
  7  8  2  0  0  0  0
  7 20  1  0  0  0  0
  8 13  1  0  0  0  0
  8 16  1  0  0  0  0
  9 11  1  0  0  0  0
 10 14  2  0  0  0  0
 10 15  1  0  0  0  0
 11 21  1  0  0  0  0
 12 13  2  0  0  0  0
 12 22  1  0  0  0  0
 13 23  1  0  0  0  0
 14 17  1  0  0  0  0
 14 24  1  0  0  0  0
 15 18  2  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
 17 19  2  0  0  0  0
 18 19  1  0  0  0  0
 18 29  1  0  0  0  0
 19 30  1  0  0  0  0
M  END

$$$$
D04XPJ
  -OEChem-10101305022D

 27 28  0     0  0  0  0  0  0999 V2000
    4.2690   -2.5950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -3.5950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -2.5950    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    0.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    1.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    0.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.4050    0.0000 C   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
    2.5369   -0.5950    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
    4.2690    2.4050    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
    4.2690    3.4050    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
    3.4030    3.9050    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
    2.0000    0.7150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8059    0.7150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.9050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8059   -0.9050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8059    2.0950    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
    4.8059    3.7150    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
    3.4030    4.5250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.2850    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
  1 16  2  0  0  0  0
  2  3  1  0  0  0  0
  2 27  1  0  0  0  0
  3 16  1  0  0  0  0
  3 26  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 11  2  0  0  0  0
  5 12  1  0  0  0  0
  6  9  1  0  0  0  0
  6 17  1  0  0  0  0
  7 10  2  0  0  0  0
  7 18  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
  8 16  1  0  0  0  0
  9 19  1  0  0  0  0
 10 20  1  0  0  0  0
 11 13  1  0  0  0  0
 11 21  1  0  0  0  0
 12 14  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 15  1  0  0  0  0
 14 24  1  0  0  0  0
 15 25  1  0  0  0  0
M  END

$$$$
D04XPZ
  -OEChem-10101305022D

 45 46  0     0  0  0  0  0  0999 V2000
    4.2690    0.9827    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -0.0173    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    8.5991   -0.5173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -0.5173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651   -0.0173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -0.0173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3312   -0.5173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -0.5173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1972   -0.0173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0632   -0.5173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9292   -0.0173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1972    0.9827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9292    0.9827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0632    1.4827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -0.0173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3312   -1.5173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8232   -0.5520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8232    1.5173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7292   -0.0381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7292    1.0035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.0632   -1.1373    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   12.0632    2.1027    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   10.8681   -1.8273    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1 17  2  0  0  0  0
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  2 45  1  0  0  0  0
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  6  8  1  0  0  0  0
  6 27  1  0  0  0  0
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  7  9  1  0  0  0  0
  7 29  1  0  0  0  0
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  8 10  1  0  0  0  0
  8 31  1  0  0  0  0
  8 32  1  0  0  0  0
  9 11  1  0  0  0  0
  9 18  2  0  0  0  0
 10 17  1  0  0  0  0
 10 33  1  0  0  0  0
 10 34  1  0  0  0  0
 11 12  2  0  0  0  0
 11 14  1  0  0  0  0
 12 13  1  0  0  0  0
 12 35  1  0  0  0  0
 13 15  1  0  0  0  0
 13 19  2  0  0  0  0
 14 16  2  0  0  0  0
 14 36  1  0  0  0  0
 15 16  1  0  0  0  0
 15 20  2  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
 19 21  1  0  0  0  0
 19 40  1  0  0  0  0
 20 22  1  0  0  0  0
 20 41  1  0  0  0  0
 21 22  2  0  0  0  0
 21 42  1  0  0  0  0
 22 43  1  0  0  0  0
M  END

$$$$
D04XQG
          09231000092D 1   1.00000     0.00000     0

 58 61  0     1  0            999 V2000
   -0.9853   -6.1765    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.9865   -6.8872    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.3717   -7.2418    0.0000 C   0  0  0  0  0  0           0  0  0
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    6.0724   -4.6976    0.0000 C   0  0  0  0  0  0           0  0  0
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    4.2209   -5.0875    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.2125   -4.7792    0.0000 C   0  0  0  0  0  0           0  0  0
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 18 16  2  0     0  0
  7 16  1  0     0  0
 14  7  2  0     0  0
 19 16  1  0     0  0
 20 17  1  0     0  0
 21 19  1  0     0  0
 22 28  1  0     0  0
 23 22  1  0     0  0
 24 19  2  0     0  0
 25 18  1  0     0  0
 26 20  1  0     0  0
 27 23  2  0     0  0
 28 29  1  0     0  0
 29 32  1  0     0  0
 30 21  1  0     0  0
 31 23  1  0     0  0
 32 26  1  0     0  0
 28 33  1  1     0  0
 32 34  1  1     0  0
 35 25  1  0     0  0
 36 25  1  0     0  0
 37 30  2  0     0  0
 38 30  1  0     0  0
 39 38  2  0     0  0
 40 37  1  0     0  0
 41 39  1  0     0  0
 14 17  1  0     0  0
 40 41  2  0     0  0
 12 13  2  0     0  0
 34 42  1  0     0  0
 13  8  1  0     0  0
 42 43  2  0     0  0
  1  2  2  0     0  0
 42 44  1  0     0  0
  8 14  1  0     0  0
 44 45  1  0     0  0
  5  7  1  0     0  0
 45 46  1  0     0  0
 11 15  1  0     0  0
 45 47  1  0     0  0
  3  4  2  0     0  0
 46 48  1  0     0  0
 48 49  1  0     0  0
  8  9  2  0     0  0
 48 50  2  0     0  0
  4  5  1  0     0  0
 49 51  1  0     0  0
  9 10  1  0     0  0
 51 52  1  0     0  0
  2  3  1  0     0  0
 52 53  1  0     0  0
 10 11  2  0     0  0
 53 54  1  0     0  0
  5  6  2  0     0  0
 54 55  1  0     0  0
 11 12  1  0     0  0
 55 56  1  0     0  0
  6  1  1  0     0  0
 56 57  1  0     0  0
 17 18  1  0     0  0
 56 58  2  0     0  0
M  CHG  2  56   1  57  -1
M  END

$$$$
D04XRV
  -OEChem-10101305022D

 29 31  0     0  0  0  0  0  0999 V2000
    2.0000   -3.5000    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
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    4.5981    0.0000    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
    3.7320   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1 18  1  0  0  0  0
  2  7  1  0  0  0  0
  2 17  2  0  0  0  0
  3  4  2  0  0  0  0
  3 12  1  0  0  0  0
  4  5  2  0  0  0  0
  6  7  2  0  0  0  0
  6  9  1  0  0  0  0
  6 10  1  0  0  0  0
  7  8  1  0  0  0  0
  8 11  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  2  0  0  0  0
 10 21  1  0  0  0  0
 11 12  1  0  0  0  0
 11 22  1  0  0  0  0
 13 16  2  0  0  0  0
 13 23  1  0  0  0  0
 14 18  1  0  0  0  0
 14 24  1  0  0  0  0
 15 19  2  0  0  0  0
 15 25  1  0  0  0  0
 16 17  1  0  0  0  0
 16 26  1  0  0  0  0
 17 27  1  0  0  0  0
 18 20  2  0  0  0  0
 19 20  1  0  0  0  0
 19 28  1  0  0  0  0
 20 29  1  0  0  0  0
M  CHG  2   4   1   5  -1
M  END

$$$$
D04XTP
  -OEChem-10101305022D

 71 73  0     1  0  0  0  0  0999 V2000
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   12.3923   -5.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.6603   -4.8800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1 23  2  0  0  0  0
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 20 23  1  0  0  0  0
 20 52  1  0  0  0  0
 20 53  1  0  0  0  0
 21 56  1  0  0  0  0
 21 57  1  0  0  0  0
 22 54  1  0  0  0  0
 22 55  1  0  0  0  0
 25 26  1  0  0  0  0
 25 60  1  0  0  0  0
 25 61  1  0  0  0  0
 26 27  1  0  0  0  0
 26 62  1  0  0  0  0
 29 30  1  0  0  0  0
 29 65  1  0  0  0  0
 29 66  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 67  1  0  0  0  0
 32 34  2  0  0  0  0
 32 68  1  0  0  0  0
 33 35  2  0  0  0  0
 33 69  1  0  0  0  0
 34 35  1  0  0  0  0
 34 70  1  0  0  0  0
 35 71  1  0  0  0  0
M  END

$$$$
D04XUV
  -OEChem-10101305022D

 44 45  0     0  0  0  0  0  0999 V2000
    4.5981    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
    8.9282    3.2500    0.0000 O   0  5  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
    8.0622    2.7500    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.7500    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
    2.8660   -3.2500    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
    2.8660   -4.2500    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
    3.7320    0.2500    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
    5.4641    0.2500    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
    5.4641    1.2500    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
    5.4641    3.2500    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
    5.4641    4.2500    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
    6.3301    4.7500    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
    3.9441   -3.3326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3426   -2.6423    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5200   -1.1674    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1215   -1.8577    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6540   -2.6674    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2554   -3.3577    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8101   -1.8326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2087   -1.1423    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0781   -4.8326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4766   -4.1423    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951   -0.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -0.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -4.2131    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -5.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   -5.2869    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    1.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291    1.4400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    2.1300    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
    6.3301    5.3700    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
  1 17  1  0  0  0  0
  1 18  1  0  0  0  0
  2 15  1  0  0  0  0
  2 40  1  0  0  0  0
  3  5  1  0  0  0  0
  4  5  2  0  0  0  0
  5 21  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6 24  1  0  0  0  0
  6 25  1  0  0  0  0
  7  9  1  0  0  0  0
  7 26  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 13  1  0  0  0  0
 10 32  1  0  0  0  0
 10 33  1  0  0  0  0
 11 12  2  0  0  0  0
 11 14  1  0  0  0  0
 12 15  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 16  2  0  0  0  0
 14 35  1  0  0  0  0
 15 17  2  0  0  0  0
 16 17  1  0  0  0  0
 16 39  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 41  1  0  0  0  0
 20 22  1  0  0  0  0
 20 42  1  0  0  0  0
 21 23  1  0  0  0  0
 22 23  2  0  0  0  0
 22 43  1  0  0  0  0
 23 44  1  0  0  0  0
M  CHG  2   3  -1   5   1
M  END

$$$$
D04XXE
  -OEChem-10101305032D

 51 55  0     1  0  0  0  0  0999 V2000
    6.5824   -1.6303    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8506   -0.9002    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6708    1.7815    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    5.0349   -1.3938    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2943    0.9997    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0718    0.0248    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.8221   -0.3961    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2848    1.3220    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.8244   -0.6954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0538    0.6195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3751    1.3137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1708   -0.4091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6708    1.7815    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4961    2.2995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8493   -0.9502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2699    0.0248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0474    0.9997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5848   -0.6955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4482    2.6053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0566   -1.5705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5503   -0.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5267   -2.4601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3598   -2.6053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.5266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4915   -2.4380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4835    1.8284    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0371   -1.2184    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8247    1.7376    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3254   -1.0634    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1015   -1.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6258    0.3801    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3875    1.1420    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9930    1.3640    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4329    1.9310    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8088    2.3860    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1123    2.0505    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4119    2.9137    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8765    2.3232    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6608    1.4844    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4888    0.7307    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4822   -1.8231    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6378    2.0149    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0385    2.7948    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2586    3.1956    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    3.8272   -3.0024    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    1.3803   -1.5062    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1680   -2.9670    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 15  1  0  0  0  0
  1 23  1  0  0  0  0
  2 15  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 12  1  0  0  0  0
  4 20  1  0  0  0  0
  4 41  1  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  5 26  1  6  0  0  0
  6  9  1  0  0  0  0
  6 12  1  0  0  0  0
  6 15  1  6  0  0  0
  7  9  1  0  0  0  0
  7 10  1  0  0  0  0
  7 11  1  0  0  0  0
  7 27  1  6  0  0  0
  8 10  1  0  0  0  0
  8 14  1  1  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 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 16  2  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 19  1  0  0  0  0
 14 37  1  0  0  0  0
 14 38  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 39  1  0  0  0  0
 17 40  1  0  0  0  0
 18 20  1  0  0  0  0
 18 21  2  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 22  2  0  0  0  0
 21 24  1  0  0  0  0
 21 45  1  0  0  0  0
 22 25  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 25  2  0  0  0  0
 24 50  1  0  0  0  0
 25 51  1  0  0  0  0
M  END

$$$$
D04XZP
  -OEChem-04152110482D

 32 32  0     1  0  0  0  0  0999 V2000
    6.0503   -2.4368    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5855   -0.7895    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1882    2.0117    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4656    2.1928    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0823   -1.7374    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5823   -0.1985    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.5823   -0.1985    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8913   -1.1496    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.2733   -1.1496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9945    0.6105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1701    0.6105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.5060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8900    1.6050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8424   -1.4586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2746    1.6050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9699   -0.2955    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1947   -0.2955    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9883   -1.7620    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7069   -0.8974    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9633   -1.6865    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5733    0.8327    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0823   -2.3574    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5168    0.0965    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5913    0.8327    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9352    1.1226    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3834    0.4411    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0648   -0.1106    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5066    1.6698    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8252    2.2216    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2734    1.5402    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6400   -2.6284    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2530    2.6284    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 14  1  0  0  0  0
  1 31  1  0  0  0  0
  2 14  2  0  0  0  0
  3 15  1  0  0  0  0
  3 32  1  0  0  0  0
  4 15  2  0  0  0  0
  5  8  1  0  0  0  0
  5  9  1  0  0  0  0
  5 22  1  0  0  0  0
  6  7  1  0  0  0  0
  6  9  1  0  0  0  0
  6 10  1  6  0  0  0
  6 16  1  0  0  0  0
  7  8  1  0  0  0  0
  7 11  1  6  0  0  0
  7 17  1  0  0  0  0
  8 14  1  1  0  0  0
  8 18  1  0  0  0  0
  9 19  1  0  0  0  0
  9 20  1  0  0  0  0
 10 12  1  0  0  0  0
 10 13  1  0  0  0  0
 10 21  1  0  0  0  0
 11 15  1  0  0  0  0
 11 23  1  0  0  0  0
 11 24  1  0  0  0  0
 12 25  1  0  0  0  0
 12 26  1  0  0  0  0
 12 27  1  0  0  0  0
 13 28  1  0  0  0  0
 13 29  1  0  0  0  0
 13 30  1  0  0  0  0
M  END

$$$$
D04YCJ
  -OEChem-04152109502D

 27 28  0     1  0  0  0  0  0999 V2000
    4.2690   -0.8133    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    0.1867    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0812    0.3820    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6648    1.1867    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.6811   -1.7253    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3919   -0.5685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3704   -0.7747    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.1350    0.6867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    1.6867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0382   -0.0304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.1867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0812    1.9915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    2.1867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    0.6867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    1.6867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7781   -0.6559    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3713   -1.1882    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9771   -0.9026    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4997   -0.4445    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4523    0.4310    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5768    0.3836    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2738    2.5808    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    2.8067    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2877   -1.8531    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2670   -2.1867    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.9967    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.4967    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  0  0  0  0
  2 14  1  0  0  0  0
  2 27  1  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 12  2  0  0  0  0
  7  5  1  6  0  0  0
  5 24  1  0  0  0  0
  5 25  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  1  0  0  0  0
  7 18  1  0  0  0  0
  8  9  2  0  0  0  0
  8 11  1  0  0  0  0
  9 12  1  0  0  0  0
  9 13  1  0  0  0  0
 10 19  1  0  0  0  0
 10 20  1  0  0  0  0
 10 21  1  0  0  0  0
 11 14  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 15  1  0  0  0  0
 15 26  1  0  0  0  0
M  END

$$$$
D04YHZ
  -OEChem-10101305022D

 31 33  0     0  0  0  0  0  0999 V2000
    7.0864   -1.8424    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3780   -0.6884    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5274    1.9681    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0547    0.8439    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    5.0274    0.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3364    1.3803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0274    0.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7183    1.3803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7123   -0.3555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3518    1.6126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7328   -0.1468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3424   -0.3555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7029    1.6126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0321    1.0555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3219   -0.1468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.8439    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3991   -0.8925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7527   -2.5881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5274    2.5881    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5139   -0.9429    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5365    2.2044    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5408   -0.9429    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5182    2.2044    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1633    0.4496    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6380    1.1868    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9008    1.6615    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9088   -0.6091    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3940    0.9751    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2903   -3.0012    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1658   -3.0504    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2150   -2.1750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 17  1  0  0  0  0
  1 18  1  0  0  0  0
  2 17  2  0  0  0  0
  3  6  1  0  0  0  0
  3  8  1  0  0  0  0
  3 19  1  0  0  0  0
  4 10  1  0  0  0  0
  4 11  2  0  0  0  0
  4 14  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 10  2  0  0  0  0
  7  8  1  0  0  0  0
  7 12  2  0  0  0  0
  8 13  2  0  0  0  0
  9 11  1  0  0  0  0
  9 20  1  0  0  0  0
 10 21  1  0  0  0  0
 11 17  1  0  0  0  0
 12 15  1  0  0  0  0
 12 22  1  0  0  0  0
 13 16  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
 18 29  1  0  0  0  0
 18 30  1  0  0  0  0
 18 31  1  0  0  0  0
M  CHG  1   4   1
M  END

$$$$
D04YIV
  -OEChem-10101305022D

 23 23  0     0  0  0  0  0  0999 V2000
    3.0000   -0.3100    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.0000   -0.3100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.3100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7320    2.6900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    2.6900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    0.6900    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -1.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8660    1.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1340   -1.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8660   -1.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1340   -2.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8660   -2.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -3.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8660    2.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4631    1.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0781    0.6074    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4766    1.2977    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5970   -1.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4030   -1.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5970   -3.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4030   -3.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -3.9300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7320    3.3100    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  7  1  0  0  0  0
  4 14  1  0  0  0  0
  4 23  1  0  0  0  0
  5 14  2  0  0  0  0
  6  8  1  0  0  0  0
  6 15  1  0  0  0  0
  7  9  2  0  0  0  0
  7 10  1  0  0  0  0
  8 14  1  0  0  0  0
  8 16  1  0  0  0  0
  8 17  1  0  0  0  0
  9 11  1  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 13  2  0  0  0  0
 11 20  1  0  0  0  0
 12 13  1  0  0  0  0
 12 21  1  0  0  0  0
 13 22  1  0  0  0  0
M  END

$$$$
D04YKQ
          07071101142D 1   1.00000     0.00000     0

 22 23  0     0  0            999 V2000
    2.4500   -0.5167    0.0000 C   0  0  0  0  0  0           0  0  0
    2.4500    0.1875    0.0000 C   0  0  0  0  0  0           0  0  0
    1.8375   -0.8750    0.0000 C   0  0  0  0  0  0           0  0  0
    1.8375    0.5458    0.0000 C   0  0  0  0  0  0           0  0  0
    1.2208   -0.5167    0.0000 C   0  0  0  0  0  0           0  0  0
    1.2208    0.1875    0.0000 C   0  0  0  0  0  0           0  0  0
    3.0625   -0.8750    0.0000 C   0  0  0  0  0  0           0  0  0
    3.6750   -0.5167    0.0000 C   0  0  0  0  0  0           0  0  0
    6.1292   -0.5167    0.0000 C   0  0  0  0  0  0           0  0  0
    1.8375   -1.5792    0.0000 O   0  0  0  0  0  0           0  0  0
    1.8375    1.2500    0.0000 O   0  0  0  0  0  0           0  0  0
    4.2875   -0.8750    0.0000 C   0  0  0  0  0  0           0  0  0
    6.1292    0.1875    0.0000 O   0  0  0  0  0  0           0  0  0
    5.5167   -0.8750    0.0000 C   0  0  0  0  0  0           0  0  0
    3.0625    0.5458    0.0000 C   0  0  0  0  0  0           0  0  0
    4.9042   -0.5167    0.0000 C   0  0  0  0  0  0           0  0  0
    6.7417   -0.8750    0.0000 O   0  0  0  0  0  0           0  0  0
    0.6042    0.5458    0.0000 C   0  0  0  0  0  0           0  0  0
    0.6042   -0.8792    0.0000 C   0  0  0  0  0  0           0  0  0
    4.2875   -1.5792    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.0083    0.1875    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.0083   -0.5167    0.0000 C   0  0  0  0  0  0           0  0  0
  2  1  2  0     0  0
  3  1  1  0     0  0
  4  2  1  0     0  0
  5  3  1  0     0  0
  6  4  1  0     0  0
  7  1  1  0     0  0
  8  7  1  0     0  0
  9 14  1  0     0  0
 10  3  2  0     0  0
 11  4  2  0     0  0
 12  8  2  0     0  0
 13  9  2  0     0  0
 14 16  1  0     0  0
 15  2  1  0     0  0
 16 12  1  0     0  0
 17  9  1  0     0  0
 18  6  1  0     0  0
 19  5  1  0     0  0
 20 12  1  0     0  0
 21 18  2  0     0  0
 22 19  2  0     0  0
  6  5  2  0     0  0
 22 21  1  0     0  0
M  END

$$$$
D04YLU
          01080900092D 1   1.00000     0.00000     0

 33 37  0     0  0            999 V2000
    4.5042   -5.7000    0.0000 O   0  0  0  0  0  0           0  0  0
    5.1208   -5.3500    0.0000 S   0  0  3  0  0  0           0  0  0
    4.5094   -4.9910    0.0000 O   0  0  0  0  0  0           0  0  0
    7.1708   -0.9458    0.0000 O   0  0  0  0  0  0           0  0  0
    6.4625   -0.9417    0.0000 C   0  0  0  0  0  0           0  0  0
    6.1067   -1.5496    0.0000 C   0  0  0  0  0  0           0  0  0
    6.4553   -2.1657    0.0000 C   0  0  3  0  0  0           0  0  0
    7.1636   -2.1698    0.0000 C   0  0  0  0  0  0           0  0  0
    7.5234   -1.5580    0.0000 C   0  0  0  0  0  0           0  0  0
    6.0967   -2.7765    0.0000 N   0  0  3  0  0  0           0  0  0
    0.7750   -3.7208    0.0000 C   0  0  0  0  0  0           0  0  0
    0.7750   -4.4292    0.0000 C   0  0  3  0  0  0           0  0  0
    1.3870   -4.7833    0.0000 C   0  0  0  0  0  0           0  0  0
    1.9990   -4.4292    0.0000 C   0  0  0  0  0  0           0  0  0
    1.9990   -3.7208    0.0000 N   0  0  3  0  0  0           0  0  0
    1.3870   -3.3667    0.0000 C   0  0  0  0  0  0           0  0  0
    0.1614   -4.7830    0.0000 C   0  0  0  0  0  0           0  0  0
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    5.1257   -4.6432    0.0000 N   0  0  3  0  0  0           0  0  0
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    5.5377   -4.0661    0.0000 C   0  0  0  0  0  0           0  0  0
    6.2378   -3.9887    0.0000 C   0  0  0  0  0  0           0  0  0
    6.5215   -3.3424    0.0000 C   0  0  0  0  0  0           0  0  0
    5.4012   -2.8531    0.0000 C   0  0  0  0  0  0           0  0  0
    5.7318   -5.7084    0.0000 C   0  0  0  0  0  0           0  0  0
    6.3477   -5.3585    0.0000 C   0  0  0  0  0  0           0  0  0
 12 17  1  0     0  0
  8  9  1  0     0  0
 15 18  1  0     0  0
  3  2  2  0     0  0
 18 19  1  0     0  0
  7 10  1  0     0  0
 18 20  2  0     0  0
 11 12  1  0     0  0
 19 21  2  0     0  0
  4  5  1  0     0  0
 21 22  1  0     0  0
 22 25  2  0     0  0
 24 23  2  0     0  0
 23 19  1  0     0  0
 24 25  1  0     0  0
  2  1  2  0     0  0
  4  9  1  0     0  0
  5  6  1  0     0  0
 25 26  1  0     0  0
 26 28  1  0     0  0
 27 24  1  0     0  0
  6  7  1  0     0  0
 11 16  1  0     0  0
 27 28  2  0     0  0
 12 13  1  0     0  0
 28 29  1  0     0  0
 13 14  1  0     0  0
 29 30  1  0     0  0
 30 10  1  0     0  0
 14 15  1  0     0  0
 10 31  1  0     0  0
 31 27  1  0     0  0
 26  2  1  0     0  0
 15 16  1  0     0  0
  2 32  1  0     0  0
  7  8  1  0     0  0
 32 33  1  0     0  0
M  END

$$$$
D04YNS
  -OEChem-10101305022D

 33 33  0     1  0  0  0  0  0999 V2000
    4.5981   -0.4050    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    3.5950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    2.0950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.5950    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    2.0950    0.0000 C   0  0  3  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   -0.9050    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
    2.8660   -2.4050    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
    6.3301    2.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -3.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6762    0.5124    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0747    1.2027    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    2.7150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3860    1.1776    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9875    0.4873    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5200   -0.3224    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1215   -1.0127    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -2.0950    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    3.2150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0611    2.2850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -3.7150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   -1.3681    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -1.5950    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    5.1350   -3.7150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -4.5250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    3.9050    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 12  1  0  0  0  0
  2 33  1  0  0  0  0
  3 12  2  0  0  0  0
  4  6  1  0  0  0  0
  4 25  1  0  0  0  0
  4 26  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 17  1  0  0  0  0
  5 18  1  0  0  0  0
  6 12  1  0  0  0  0
  6 19  1  0  0  0  0
  7 20  1  0  0  0  0
  7 21  1  0  0  0  0
  8  9  1  0  0  0  0
  8 22  1  0  0  0  0
  8 23  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  2  0  0  0  0
 10 13  2  0  0  0  0
 10 14  1  0  0  0  0
 11 15  1  0  0  0  0
 11 24  1  0  0  0  0
 13 16  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
 14 30  1  0  0  0  0
 15 16  2  0  0  0  0
 15 31  1  0  0  0  0
 16 32  1  0  0  0  0
M  END

$$$$
D04YNW
  -OEChem-10101305022D

 49 50  0     1  0  0  0  0  0999 V2000
    6.8163    1.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    8.5484    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.7375    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.8163    4.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0843    6.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.6823    5.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8163    6.0000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.9503    5.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8163    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6823    7.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5484    6.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9797    6.9945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1707    5.5933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5484    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0016    7.2024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5016    6.3364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6823    4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5484    4.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5484    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6823    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4144    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6823    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4144    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5484    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8163    5.1500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5518    5.0250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3488    5.0250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6043    7.5826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2057    6.8923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0809    7.9750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2838    7.9750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7604    5.4174    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1590    6.1077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5997    6.9945    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0446    7.6111    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6691    5.2288    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4807    5.0563    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1590    6.8923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7604    7.5826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1932    7.7921    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4352    7.4546    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    6.7008    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0867    5.8757    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1590    3.8923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7604    4.5826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1454    2.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9513    2.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9513    1.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0000    3.7375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 22  1  0  0  0  0
  2 24  1  0  0  0  0
  3 49  1  0  0  0  0
  4 17  2  0  0  0  0
  5  8  1  0  0  0  0
  5 12  1  0  0  0  0
  5 13  1  0  0  0  0
  6  7  1  0  0  0  0
  6 11  1  0  0  0  0
  6 17  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  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 10  1  0  0  0  0
  9 28  1  0  0  0  0
  9 29  1  0  0  0  0
 10 14  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
 11 33  1  0  0  0  0
 12 15  1  0  0  0  0
 12 34  1  0  0  0  0
 12 35  1  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 38  1  0  0  0  0
 14 39  1  0  0  0  0
 15 16  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
 17 18  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 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
 23 24  1  0  0  0  0
 23 48  1  0  0  0  0
M  END

$$$$
D04YPP
  -OEChem-10101305032D

 31 33  0     0  0  0  0  0  0999 V2000
    3.2601    2.2694    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2601    2.2694    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7601    0.7306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5691    1.3184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7601   -0.2694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9511    1.3184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5202    1.0094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8940   -0.7694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6261   -0.7694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.0094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7281    0.0312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2633    1.6785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8940   -1.7694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6261   -1.7694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6791   -0.2778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2144    1.3695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7601   -2.2694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4223    0.3913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3571   -0.4594    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1630   -0.4594    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8084    1.5990    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4103    0.8178    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1916    0.4197    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2673   -0.3837    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1344    2.2849    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3571   -2.0794    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1630   -2.0794    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8080   -0.8843    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6751    1.7843    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7601   -2.8894    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0119    0.1997    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  6  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  6  2  0  0  0  0
  4  7  1  0  0  0  0
  5  8  2  0  0  0  0
  5  9  1  0  0  0  0
  6 10  1  0  0  0  0
  7 11  2  0  0  0  0
  7 12  1  0  0  0  0
  8 13  1  0  0  0  0
  8 19  1  0  0  0  0
  9 14  2  0  0  0  0
  9 20  1  0  0  0  0
 10 21  1  0  0  0  0
 10 22  1  0  0  0  0
 10 23  1  0  0  0  0
 11 15  1  0  0  0  0
 11 24  1  0  0  0  0
 12 16  2  0  0  0  0
 12 25  1  0  0  0  0
 13 17  2  0  0  0  0
 13 26  1  0  0  0  0
 14 17  1  0  0  0  0
 14 27  1  0  0  0  0
 15 18  2  0  0  0  0
 15 28  1  0  0  0  0
 16 18  1  0  0  0  0
 16 29  1  0  0  0  0
 17 30  1  0  0  0  0
 18 31  1  0  0  0  0
M  END

$$$$
D04YQF
  -OEChem-04152109192D

 22 24  0     0  0  0  0  0  0999 V2000
    4.6783    0.6054    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783   -1.0041    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8497    0.6097    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.8007    0.3007    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.3007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2619   -0.1993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.6993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2619   -0.1993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.8007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.1993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8497   -1.0084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.3007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.6993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8007   -0.6993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8709    1.1947    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.4207    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.8193    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6581   -1.5980    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    0.6107    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6581    1.1993    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -1.0093    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3023   -1.0638    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1  6  1  0  0  0  0
  1 15  1  0  0  0  0
  2  6  2  0  0  0  0
  2  7  1  0  0  0  0
  3  4  1  0  0  0  0
  3  8  1  0  0  0  0
  3 20  1  0  0  0  0
  4 14  2  0  0  0  0
  5  7  1  0  0  0  0
  5  9  2  0  0  0  0
  6  8  1  0  0  0  0
  7 10  2  0  0  0  0
  8 11  2  0  0  0  0
  9 12  1  0  0  0  0
  9 16  1  0  0  0  0
 10 13  1  0  0  0  0
 10 17  1  0  0  0  0
 11 14  1  0  0  0  0
 11 18  1  0  0  0  0
 12 13  2  0  0  0  0
 12 19  1  0  0  0  0
 13 21  1  0  0  0  0
 14 22  1  0  0  0  0
M  END

$$$$
D04YTE
  -OEChem-10101305022D

 68 72  0     1  0  0  0  0  0999 V2000
    6.3507    0.8751    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0417   -1.2515    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5739   -2.4184    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7367   -2.3120    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7283   -1.2627    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9789    2.1969    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8965    3.2402    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3354   -3.3300    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6597   -0.0759    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.8507   -0.6637    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.4624   -0.6623    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.1544   -1.6075    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.1603   -1.6083    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.0417   -0.0759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2189    0.7531    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4617   -0.6989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3507    0.8751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7422   -2.4165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0263   -0.3082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2164    0.6834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7805    1.6519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6657    1.6599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9297   -1.5827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9931    0.1482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3233    0.4605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6452    1.4512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7756    1.5124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3397    2.4810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9290   -1.6193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.9232   -4.1390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3409   -3.4346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3373    2.4112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4604   -0.7722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7526   -1.4819    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.9928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4581    4.1390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8174   -1.1706    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4883    0.1261    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1620    1.6952    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8641    2.2473    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6002   -2.1079    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7030    0.6961    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    9.3941    1.4692    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0679    3.0382    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2191   -2.1672    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3219    0.6368    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   11.0800   -0.7949    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    7.9008    3.8672    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  1 17  1  0  0  0  0
 10  2  1  6  0  0  0
  2 41  1  0  0  0  0
 13  3  1  1  0  0  0
  3 42  1  0  0  0  0
  4 18  2  0  0  0  0
  5 19  1  0  0  0  0
  5 35  1  0  0  0  0
  6 26  1  0  0  0  0
  6 36  1  0  0  0  0
  7 33  1  0  0  0  0
  7 37  1  0  0  0  0
  8 18  1  0  0  0  0
  8 31  1  0  0  0  0
  8 32  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 15  1  6  0  0  0
 10 13  1  0  0  0  0
 10 14  1  0  0  0  0
 11 12  1  0  0  0  0
 11 16  1  6  0  0  0
 11 38  1  0  0  0  0
 12 13  1  0  0  0  0
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 12 39  1  0  0  0  0
 13 40  1  0  0  0  0
 14 17  1  0  0  0  0
 14 19  2  0  0  0  0
 15 20  2  0  0  0  0
 15 21  1  0  0  0  0
 16 23  2  0  0  0  0
 16 24  1  0  0  0  0
 17 22  2  0  0  0  0
 19 25  1  0  0  0  0
 20 27  1  0  0  0  0
 20 43  1  0  0  0  0
 21 28  2  0  0  0  0
 21 44  1  0  0  0  0
 22 26  1  0  0  0  0
 22 45  1  0  0  0  0
 23 29  1  0  0  0  0
 23 46  1  0  0  0  0
 24 30  2  0  0  0  0
 24 47  1  0  0  0  0
 25 26  2  0  0  0  0
 25 48  1  0  0  0  0
 27 33  2  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
 29 34  2  0  0  0  0
 29 51  1  0  0  0  0
 30 34  1  0  0  0  0
 30 52  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
 32 53  1  0  0  0  0
 32 54  1  0  0  0  0
 32 55  1  0  0  0  0
 34 59  1  0  0  0  0
 35 60  1  0  0  0  0
 35 61  1  0  0  0  0
 35 62  1  0  0  0  0
 36 63  1  0  0  0  0
 36 64  1  0  0  0  0
 36 65  1  0  0  0  0
 37 66  1  0  0  0  0
 37 67  1  0  0  0  0
 37 68  1  0  0  0  0
M  END

$$$$
D04YTO
  -OEChem-10101305022D

 31 33  0     0  0  0  0  0  0999 V2000
    8.9942    0.4585    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.5173    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.9827    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    2.4827    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.9827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.4827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.0173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    1.9827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.5173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.0173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2241    0.4480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.0173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2241    2.5173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.0173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1301    0.9619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.5173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1301    2.0035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.5173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.9827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -0.8273    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.1027    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2169   -0.1720    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -2.3273    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2169    3.1373    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -2.3273    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.1373    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6659    2.3156    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100    0.0196    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -0.2073    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -1.0543    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0611    2.2927    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 15  1  0  0  0  0
  2  6  1  0  0  0  0
  2  7  1  0  0  0  0
  2 20  1  0  0  0  0
  3  6  2  0  0  0  0
  3 19  1  0  0  0  0
  4  8  1  0  0  0  0
  4 19  2  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
  7  9  1  0  0  0  0
  7 12  2  0  0  0  0
  8 13  1  0  0  0  0
  9 10  2  0  0  0  0
  9 21  1  0  0  0  0
 10 14  1  0  0  0  0
 10 18  1  0  0  0  0
 11 15  2  0  0  0  0
 11 22  1  0  0  0  0
 12 16  1  0  0  0  0
 12 23  1  0  0  0  0
 13 17  2  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
 15 17  1  0  0  0  0
 16 26  1  0  0  0  0
 17 27  1  0  0  0  0
 18 28  1  0  0  0  0
 18 29  1  0  0  0  0
 18 30  1  0  0  0  0
 19 31  1  0  0  0  0
M  END

$$$$
D04YUA
  -OEChem-10101305022D

 29 28  0     0  0  0  0  0  0999 V2000
    2.8660    0.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.5000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.3660    0.8660    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3660   -0.8660    0.0000 O   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
    5.4641    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
    4.5981    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    0.0000    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
    8.9282    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9316   -0.4749    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7287   -0.4749    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8626    0.9749    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0656    0.9749    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5947    0.9749    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7976    0.9749    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1996   -0.4749    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9966   -0.4749    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6636   -0.4749    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4607   -0.4749    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1306    0.9749    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3335    0.9749    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3267    0.9749    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5297    0.9749    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4842   -0.5369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3312   -0.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1042    0.5369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  2  0  0  0  0
  1 10  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 13  1  0  0  0  0
  5 14  1  0  0  0  0
  6  8  1  0  0  0  0
  6 15  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 23  1  0  0  0  0
 10 24  1  0  0  0  0
 11 12  1  0  0  0  0
 11 25  1  0  0  0  0
 11 26  1  0  0  0  0
 12 27  1  0  0  0  0
 12 28  1  0  0  0  0
 12 29  1  0  0  0  0
M  END

$$$$
D04YUM
  -OEChem-10101305032D

 27 28  0     0  0  0  0  0  0999 V2000
    4.6783   -0.4006    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783    1.2088    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.5959    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.9041    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    2.4041    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9889   -1.3512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9674   -1.5574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2781   -2.5079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.0959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.9041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2619    0.4041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2566   -2.7141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.4041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.0959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3751   -1.4385    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9684   -1.9708    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5812   -1.4700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9880   -0.9377    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6643   -2.5952    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2575   -3.1276    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8819    0.4041    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1288   -3.3208    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8633   -2.8420    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    1.4631   -0.4059    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291    2.7141    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    2.7141    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  9  1  0  0  0  0
  1 11  1  0  0  0  0
  2 10  1  0  0  0  0
  2 11  2  0  0  0  0
  3  9  2  0  0  0  0
  3 14  1  0  0  0  0
  4 13  1  0  0  0  0
  4 14  2  0  0  0  0
  5 13  1  0  0  0  0
  5 26  1  0  0  0  0
  5 27  1  0  0  0  0
  6  7  1  0  0  0  0
  6 15  1  0  0  0  0
  6 16  1  0  0  0  0
  7  8  1  0  0  0  0
  7 17  1  0  0  0  0
  7 18  1  0  0  0  0
  8 12  1  0  0  0  0
  8 19  1  0  0  0  0
  8 20  1  0  0  0  0
  9 10  1  0  0  0  0
 10 13  2  0  0  0  0
 11 21  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
 14 25  1  0  0  0  0
M  END

$$$$
D04YVS
  -OEChem-10101305022D

 36 37  0     0  0  0  0  0  0999 V2000
    3.0000   -3.5000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.1962    3.5000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -2.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1962    2.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8660    1.0000    0.0000 O   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
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    9.1962    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 23 24  1  0  0  0  0
 23 31  1  0  0  0  0
 24 32  1  0  0  0  0
M  END

$$$$
D04YWX
  -OEChem-10191522402D

 34 35  0     0  0  0  0  0  0999 V2000
    6.4103   -2.3391    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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 10 21  1  0  0  0  0
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 17 32  1  0  0  0  0
 17 33  1  0  0  0  0
 17 34  1  0  0  0  0
M  END

$$$$
D04YXB
  -OEChem-10101305022D

 26 28  0     0  0  0  0  0  0999 V2000
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 13 15  1  0  0  0  0
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 14 24  1  0  0  0  0
 15 25  1  0  0  0  0
 16 26  1  0  0  0  0
M  END

$$$$
D04YZZ
  -OEChem-10101305022D

133139  0     1  0  0  0  0  0999 V2000
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 69127  1  0  0  0  0
M  END

$$$$
D04ZAO
  -OEChem-04152108512D

 14 15  0     0  0  0  0  0  0999 V2000
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  1  8  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  2 11  1  0  0  0  0
  3  8  1  0  0  0  0
  3 10  1  0  0  0  0
  3 13  1  0  0  0  0
  4  7  1  0  0  0  0
  4 10  2  0  0  0  0
  5  9  2  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  7  9  1  0  0  0  0
  9 12  1  0  0  0  0
 10 14  1  0  0  0  0
M  END

$$$$
D04ZBA
  -OEChem-02061503592D

 31 33  0     1  0  0  0  0  0999 V2000
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 11  3  1  6  0  0  0
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 17 18  2  0  0  0  0
 19 29  1  0  0  0  0
M  ISO  1   1  18
M  END

$$$$
D04ZBV
  -OEChem-10191522502D

 45 48  0     0  0  0  0  0  0999 V2000
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    7.5891   -0.0436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1244    1.6037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9380   -2.0352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6701   -2.0352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4013    5.0352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    4.0171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.8041   -3.5352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.2714    1.3610    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2070   -0.3452    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    7.0444    2.5191    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    5.2070   -3.3452    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  2  0  0  0  0
  2  7  1  0  0  0  0
  3  7  2  0  0  0  0
  4  5  1  0  0  0  0
  4  8  1  0  0  0  0
  4 11  1  0  0  0  0
  5  9  2  0  0  0  0
  6  8  1  0  0  0  0
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 15 20  2  0  0  0  0
 15 33  1  0  0  0  0
 16 21  2  0  0  0  0
 16 22  1  0  0  0  0
 17 23  1  0  0  0  0
 17 34  1  0  0  0  0
 18 24  2  0  0  0  0
 18 35  1  0  0  0  0
 19 25  2  0  0  0  0
 19 36  1  0  0  0  0
 20 25  1  0  0  0  0
 20 37  1  0  0  0  0
 21 28  1  0  0  0  0
 21 38  1  0  0  0  0
 22 29  2  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
 24 26  1  0  0  0  0
 24 41  1  0  0  0  0
 25 42  1  0  0  0  0
 26 43  1  0  0  0  0
 27 28  2  0  0  0  0
 27 29  1  0  0  0  0
 28 44  1  0  0  0  0
 29 45  1  0  0  0  0
M  CHG  2   2  -1   7   1
M  END

$$$$
D04ZDD
  -OEChem-10101305022D

 53 56  0     1  0  0  0  0  0999 V2000
    7.2304    1.5938    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7664    1.5660    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.6038   -2.9683    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   10.7744    2.6076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.2777    3.4717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7744    2.6037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5923    0.0316    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.4650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6000   -1.9683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7282   -0.4717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.4717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0000   -1.4784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.7768    3.2237    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8135    3.1596    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5898    4.0074    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7420    3.7837    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0022   -1.7729    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1  8  1  0  0  0  0
  1  9  1  0  0  0  0
  2 11  1  0  0  0  0
  2 15  1  0  0  0  0
  3 13  2  0  0  0  0
  4 22  1  0  0  0  0
  4 27  1  0  0  0  0
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 10 13  1  0  0  0  0
 10 18  1  0  0  0  0
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 11 20  1  0  0  0  0
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 14 22  1  0  0  0  0
 14 23  2  0  0  0  0
 15 19  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 19  2  0  0  0  0
 18 35  1  0  0  0  0
 19 36  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 37  1  0  0  0  0
 21 38  1  0  0  0  0
 21 39  1  0  0  0  0
 22 25  2  0  0  0  0
 23 24  1  0  0  0  0
 23 43  1  0  0  0  0
 24 26  2  0  0  0  0
 25 26  1  0  0  0  0
 25 44  1  0  0  0  0
 27 45  1  0  0  0  0
 27 46  1  0  0  0  0
 27 47  1  0  0  0  0
 28 48  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
 29 53  1  0  0  0  0
M  END

$$$$
D04ZDI
  -OEChem-10101305022D

 40 41  0     1  0  0  0  0  0999 V2000
    5.1350    1.1550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -3.3450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -4.3450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    1.1550    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -3.3450    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    2.6550    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.4030    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
    4.2690    1.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    4.1550    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
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    7.4040    2.8450    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1  9  2  0  0  0  0
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  3  5  1  0  0  0  0
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  5 22  1  0  0  0  0
  5 39  1  0  0  0  0
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 10 26  1  0  0  0  0
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 13 17  2  0  0  0  0
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 14 16  2  0  0  0  0
 14 32  1  0  0  0  0
 15 16  1  0  0  0  0
 15 33  1  0  0  0  0
 16 34  1  0  0  0  0
 17 20  1  0  0  0  0
 17 35  1  0  0  0  0
 18 21  2  0  0  0  0
 18 36  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 19 22  1  0  0  0  0
 20 37  1  0  0  0  0
 21 38  1  0  0  0  0
M  END

$$$$
D04ZEP
          09290600062D 1   1.00000     0.00000     0

 32 35  0     0  0            999 V2000
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    5.0200   -3.4003    0.0000 F   0  0  0  0  0  0           0  0  0
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   -0.3531   -0.5874    0.0000 C   0  0  0  0  0  0           0  0  0
    0.2000    0.0003    0.0000 C   0  0  2  0  0  0           0  0  0
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    0.1964    1.9746    0.0000 O   0  0  0  0  0  0           0  0  0
    2.8292   -1.7292    0.0000 C   0  0  0  0  0  0           0  0  0
    2.8274   -2.4368    0.0000 C   0  0  0  0  0  0           0  0  0
    3.4391   -2.7895    0.0000 C   0  0  0  0  0  0           0  0  0
    4.0516   -2.4355    0.0000 C   0  0  0  0  0  0           0  0  0
    4.0486   -1.7252    0.0000 C   0  0  0  0  0  0           0  0  0
    3.4365   -1.3757    0.0000 C   0  0  0  0  0  0           0  0  0
    5.2784   -2.4327    0.0000 F   0  0  0  0  0  0           0  0  0
 10 12  1  0     0  0
 11 13  1  0     0  0
 12 14  1  0     0  0
 13 15  1  0     0  0
 14 15  1  0     0  0
 16 17  1  0     0  0
 12 16  1  0     0  0
 11 18  1  0     0  0
 15 19  1  0     0  0
 19 17  1  0     0  0
 17 18  1  0     0  0
 15 20  1  6     0  0
 12 21  1  1     0  0
 11 22  1  6     0  0
  8  9  2  0     0  0
 17 23  1  1     0  0
 14  7  1  6     0  0
 23 24  1  0     0  0
 23 25  2  0     0  0
  8  5  1  0     0  0
  3  2  1  0     0  0
  5 26  1  0     0  0
  1  3  1  0     0  0
 26 27  2  0     0  0
 27 28  1  0     0  0
  5  4  1  0     0  0
 28 29  2  0     0  0
  6  5  1  0     0  0
 29 30  1  0     0  0
  7  8  1  0     0  0
 30 31  2  0     0  0
 31 26  1  0     0  0
 29  3  1  0     0  0
 10 11  1  0     0  0
  3 32  1  0     0  0
M  END

$$$$
D04ZFH
  -OEChem-10101305032D

 39 42  0     0  0  0  0  0  0999 V2000
    8.2619   -1.9961    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783    2.2728    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783    0.6633    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2619    1.4680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2619    1.4680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7619    0.6020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.9680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.9680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2619   -0.2640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7619    0.6020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    2.4680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.4680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7619   -1.1300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7619   -1.1300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2619   -0.2640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.9680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.9680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2619   -1.9961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7619   -2.8621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7619   -1.1300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7619   -2.8621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7619   -1.1300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2619   -1.9961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8445    1.6801    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1542    2.0786    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8709    2.8621    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6419   -0.2640    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0719    1.1389    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    3.0880    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.1520    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4519   -1.6670    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8819   -0.2640    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    2.2780    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    0.6580    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4519   -3.3990    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4519   -0.5931    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0719   -3.3990    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0719   -0.5931    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8819   -1.9961    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
  2  5  1  0  0  0  0
  2  7  1  0  0  0  0
  2 26  1  0  0  0  0
  3  5  2  0  0  0  0
  3  8  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4 24  1  0  0  0  0
  4 25  1  0  0  0  0
  6  9  2  0  0  0  0
  6 10  1  0  0  0  0
  7  8  1  0  0  0  0
  7 11  2  0  0  0  0
  8 12  2  0  0  0  0
  9 14  1  0  0  0  0
  9 27  1  0  0  0  0
 10 15  2  0  0  0  0
 10 28  1  0  0  0  0
 11 16  1  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 14  2  0  0  0  0
 13 15  1  0  0  0  0
 14 31  1  0  0  0  0
 15 32  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 19  2  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
 19 35  1  0  0  0  0
 20 22  2  0  0  0  0
 20 36  1  0  0  0  0
 21 23  2  0  0  0  0
 21 37  1  0  0  0  0
 22 23  1  0  0  0  0
 22 38  1  0  0  0  0
 23 39  1  0  0  0  0
M  END

$$$$
D04ZGF
  -OEChem-10101305022D

 32 34  0     0  0  0  0  0  0999 V2000
    2.8090   -1.4979    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4350    3.0368    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3090   -3.0368    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6750    1.0021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6750    0.0021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5411    1.5021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6750    3.0021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8090    2.5021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5411    2.5021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8090    1.5021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8090   -0.4979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4350    0.9674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3411    1.4813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.0857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3411    2.5229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6180   -2.0857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3090   -3.0368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8871   -0.5805    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2856    0.1098    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0736    3.4770    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2765    3.4770    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5970    3.0847    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1984    2.3944    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2721    1.1921    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5970    0.0847    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1984   -0.6056    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4278    0.3475    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8768    1.1692    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4103   -1.8941    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8768    2.8350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2077   -1.8941    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9446   -3.5383    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 16  1  0  0  0  0
  2  9  1  0  0  0  0
  2 15  2  0  0  0  0
  3 16  2  0  0  0  0
  3 17  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4 10  2  0  0  0  0
  5 11  1  0  0  0  0
  5 18  1  0  0  0  0
  5 19  1  0  0  0  0
  6  9  2  0  0  0  0
  6 12  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
 10 24  1  0  0  0  0
 11 25  1  0  0  0  0
 11 26  1  0  0  0  0
 12 13  2  0  0  0  0
 12 27  1  0  0  0  0
 13 15  1  0  0  0  0
 13 28  1  0  0  0  0
 14 17  2  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 32  1  0  0  0  0
M  END

$$$$
D04ZGR
  -OEChem-10101305022D

 29 31  0     0  0  0  0  0  0999 V2000
    4.2740    1.2568    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5381    0.2635    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4022   -0.2398    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.9343   -0.2673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8003    0.2327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9343   -1.2673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6663   -0.2673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0403    0.2674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8003   -1.7673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6663   -1.2673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0403   -1.8020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1343   -0.2465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7842    1.2742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5763    0.2395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1343   -1.2881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6823    1.8020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5844    1.2812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2702    0.2568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0475    0.8873    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8003   -2.3873    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2032   -1.5773    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0475   -2.4219    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2438    1.5780    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1096   -0.0766    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5985   -1.6002    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6799    2.4220    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1225    1.5891    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3998   -0.8598    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.0444    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 18  2  0  0  0  0
  2  3  1  0  0  0  0
  2 29  1  0  0  0  0
  3 18  1  0  0  0  0
  3 28  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  2  0  0  0  0
  4  8  1  0  0  0  0
  5  7  1  0  0  0  0
  5 13  2  0  0  0  0
  6  9  1  0  0  0  0
  6 11  1  0  0  0  0
  7 10  1  0  0  0  0
  7 14  2  0  0  0  0
  8 12  2  0  0  0  0
  8 19  1  0  0  0  0
  9 10  2  0  0  0  0
  9 20  1  0  0  0  0
 10 21  1  0  0  0  0
 11 15  2  0  0  0  0
 11 22  1  0  0  0  0
 12 15  1  0  0  0  0
 12 18  1  0  0  0  0
 13 16  1  0  0  0  0
 13 23  1  0  0  0  0
 14 17  1  0  0  0  0
 14 24  1  0  0  0  0
 15 25  1  0  0  0  0
 16 17  2  0  0  0  0
 16 26  1  0  0  0  0
 17 27  1  0  0  0  0
M  END

$$$$
D04ZIP
  -OEChem-10191521462D

 23 25  0     0  0  0  0  0  0999 V2000
    2.9176   -2.3019    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.7881    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660    0.7327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000    0.2327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321    0.2327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000   -0.7673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321   -0.7673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660   -1.2673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6500    1.7742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9061    0.7673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4421    0.7395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9061   -1.3020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5480    2.3019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4501    1.7811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.2535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0690   -1.0773    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660   -1.8873    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1095    2.0779    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9132    1.3873    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9754    0.4233    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5456    2.9219    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9882    2.0890    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4643    0.5655    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  1  0  0  0  0
  2 12  2  0  0  0  0
  2 15  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3  9  2  0  0  0  0
  4  6  2  0  0  0  0
  4 10  1  0  0  0  0
  5  7  1  0  0  0  0
  5 11  2  0  0  0  0
  6  8  1  0  0  0  0
  6 12  1  0  0  0  0
  7  8  2  0  0  0  0
  7 16  1  0  0  0  0
  8 17  1  0  0  0  0
  9 13  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 14  1  0  0  0  0
 11 20  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 23  1  0  0  0  0
M  END

$$$$
D04ZIV
  -OEChem-10191521492D

 49 52  0     0  0  0  0  0  0999 V2000
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M  END

$$$$
D04ZJK
  -OEChem-10101305022D

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  1 36  2  0  0  0  0
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 12  5  1  6  0  0  0
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 42 48  1  0  0  0  0
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 43 45  1  0  0  0  0
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 47105  1  0  0  0  0
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 49 54  1  0  0  0  0
 49111  1  0  0  0  0
 49112  1  0  0  0  0
 50 53  1  0  0  0  0
 50109  1  0  0  0  0
 50110  1  0  0  0  0
 51113  1  0  0  0  0
 51114  1  0  0  0  0
 51115  1  0  0  0  0
 52116  1  0  0  0  0
 52117  1  0  0  0  0
 52118  1  0  0  0  0
 53 56  1  0  0  0  0
 53121  1  0  0  0  0
 53122  1  0  0  0  0
 54 55  1  0  0  0  0
 54119  1  0  0  0  0
 54120  1  0  0  0  0
 55 57  1  0  0  0  0
 55123  1  0  0  0  0
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 56 58  1  0  0  0  0
 56125  1  0  0  0  0
 56126  1  0  0  0  0
 57 59  1  0  0  0  0
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 57128  1  0  0  0  0
 58 60  1  0  0  0  0
 58129  1  0  0  0  0
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 59 61  1  0  0  0  0
 59133  1  0  0  0  0
 59134  1  0  0  0  0
 60 62  1  0  0  0  0
 60131  1  0  0  0  0
 60132  1  0  0  0  0
 61 62  1  0  0  0  0
 61135  1  0  0  0  0
 61136  1  0  0  0  0
 62137  1  0  0  0  0
 62138  1  0  0  0  0
M  END

$$$$
D04ZJL
  -OEChem-10101305022D

 21 22  0     0  0  0  0  0  0999 V2000
    7.8547    1.4202    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.6313   -1.7023    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8104    2.0789    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.3961    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.4088   -0.7274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0846   -0.6386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.4339   -0.5049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4339    1.2971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    0.3961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0774   -1.2585    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    3.0473   -0.9896    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1768   -2.1240    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  1  0  0  0  0
  2  8  1  0  0  0  0
  2 21  1  0  0  0  0
  3 14  2  0  0  0  0
  4 15  2  0  0  0  0
  5  7  1  0  0  0  0
  5 14  1  0  0  0  0
  5 18  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  6  9  1  0  0  0  0
  7 10  1  0  0  0  0
  8 13  2  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
 10 17  1  0  0  0  0
 11 12  1  0  0  0  0
 11 19  1  0  0  0  0
 13 15  1  0  0  0  0
 13 20  1  0  0  0  0
 14 15  1  0  0  0  0
M  END

$$$$
D04ZJO
  -OEChem-10101305032D

 39 42  0     1  0  0  0  0  0999 V2000
    2.0000    1.4815    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5141   -1.5842    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7702    1.4920    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5301   -0.5427    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.3961   -0.0427    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.3961    0.9573    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.3062   -0.5495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3270   -0.1728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6641   -0.0427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5301    1.4573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3142   -1.5911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1 19  2  0  0  0  0
  4  2  1  1  0  0  0
  2 14  1  0  0  0  0
  2 28  1  0  0  0  0
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  5 20  1  6  0  0  0
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 10 12  1  0  0  0  0
 10 26  1  0  0  0  0
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 11 14  1  0  0  0  0
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 13 15  2  0  0  0  0
 13 31  1  0  0  0  0
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 15 17  1  0  0  0  0
 16 18  2  0  0  0  0
 16 34  1  0  0  0  0
 17 36  1  0  0  0  0
 17 37  1  0  0  0  0
 17 38  1  0  0  0  0
 18 19  1  0  0  0  0
 18 39  1  0  0  0  0
M  END

$$$$
D04ZJQ
          01210517092D 1   1.00000     0.00000     0

 27 28  0     0  0            999 V2000
    2.4625   -1.9292    0.0000 C   0  0  0  0  0  0           0  0  0
    2.4625   -2.6375    0.0000 C   0  0  0  0  0  0           0  0  0
    1.8500   -2.9917    0.0000 C   0  0  3  0  0  0           0  0  0
    1.8500   -3.7000    0.0000 N   0  0  3  0  0  0           0  0  0
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    3.6917   -1.9292    0.0000 C   0  0  0  0  0  0           0  0  0
    7.3667   -1.9292    0.0000 C   0  0  0  0  0  0           0  0  0
    1.2417   -2.6375    0.0000 C   0  0  0  0  0  0           0  0  0
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    4.3042   -0.8667    0.0000 C   0  0  0  0  0  0           0  0  0
  2  1  2  0     0  0
  3  2  1  0     0  0
  4  3  1  0     0  0
  5  1  1  0     0  0
  6  1  1  0     0  0
  7  8  2  0     0  0
  8  4  1  0     0  0
  9  5  2  0     0  0
 10 15  2  0     0  0
 11 18  1  0     0  0
 12 10  1  0     0  0
 13 20  1  0     0  0
 14  4  1  0     0  0
 15 19  1  0     0  0
 16 14  2  0     0  0
 17  9  1  0     0  0
 18  6  1  0     0  0
 19 13  2  0     0  0
 20 17  2  0     0  0
 21 12  2  0     0  0
 22  2  1  0     0  0
 23 12  1  0     0  0
 24  6  1  0     0  0
 25  6  1  0     0  0
 26 15  1  0     0  0
 27 17  1  0     0  0
 11  3  1  0     0  0
 16  7  1  0     0  0
M  END

$$$$
D04ZLZ
  -OEChem-10101305022D

 41 42  0     1  0  0  0  0  0999 V2000
    3.7320   -2.3100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.6900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    5.1900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    5.1900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.3301    3.1900    0.0000 N   0  0  0  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
    5.4641    3.6900    0.0000 C   0  0  1  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
    3.7320    0.6900    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    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   -3.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.5981   -0.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8660   -5.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3860    3.7726    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    3.1951    2.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.3291    0.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    6.8671    3.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    1.4631   -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
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    4.2690   -5.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -6.4300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    5.8100    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
  2  9  2  0  0  0  0
  3 18  1  0  0  0  0
  3 41  1  0  0  0  0
  4 18  2  0  0  0  0
  5  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 27  1  0  0  0  0
  8  6  1  1  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 24  1  0  0  0  0
  7 25  1  0  0  0  0
  8 18  1  0  0  0  0
  8 26  1  0  0  0  0
 10 13  2  0  0  0  0
 10 14  1  0  0  0  0
 11 16  2  0  0  0  0
 11 17  1  0  0  0  0
 12 15  1  0  0  0  0
 12 28  1  0  0  0  0
 12 29  1  0  0  0  0
 13 16  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 19  2  0  0  0  0
 15 20  1  0  0  0  0
 16 32  1  0  0  0  0
 17 33  1  0  0  0  0
 19 21  1  0  0  0  0
 19 36  1  0  0  0  0
 20 22  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
 22 39  1  0  0  0  0
 23 40  1  0  0  0  0
M  END

$$$$
D04ZMM
  -OEChem-10191521522D

 46 48  0     0  0  0  0  0  0999 V2000
    2.8660   -1.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -2.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    0.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942   -1.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    8.0622   -1.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.3923   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3923    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603   -0.7500    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
   11.5263    0.7500    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
   13.2862   -1.2847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2862    0.7847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1923   -0.7708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1923    0.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.7500    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
    4.5981   -1.2500    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
    4.5981    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    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
    8.9282   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.7500    0.0000 C   0  0  0  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
   11.5263   -1.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   10.1233    0.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.2791   -1.9046    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.2791    1.4046    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942   -1.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.7281   -1.0829    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.7281    0.5829    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.5981   -1.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951    0.5600    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
    8.0622   -1.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   -0.2131    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.0420    2.7869    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951    2.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4220    1.7131    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 21  1  0  0  0  0
  1 26  1  0  0  0  0
  2 22  1  0  0  0  0
  2 27  1  0  0  0  0
  3 24  2  0  0  0  0
  4 25  2  0  0  0  0
  5 10  1  0  0  0  0
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  5 33  1  0  0  0  0
  6  7  1  0  0  0  0
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  7 25  1  0  0  0  0
  7 40  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
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  9 15  2  0  0  0  0
 10 11  2  0  0  0  0
 10 13  1  0  0  0  0
 11 28  1  0  0  0  0
 12 13  2  0  0  0  0
 12 29  1  0  0  0  0
 13 30  1  0  0  0  0
 14 16  1  0  0  0  0
 14 31  1  0  0  0  0
 15 17  1  0  0  0  0
 15 32  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 19  2  0  0  0  0
 18 20  1  0  0  0  0
 18 24  1  0  0  0  0
 19 22  1  0  0  0  0
 19 36  1  0  0  0  0
 20 21  2  0  0  0  0
 20 37  1  0  0  0  0
 21 23  1  0  0  0  0
 22 23  2  0  0  0  0
 23 38  1  0  0  0  0
 26 41  1  0  0  0  0
 26 42  1  0  0  0  0
 26 43  1  0  0  0  0
 27 44  1  0  0  0  0
 27 45  1  0  0  0  0
 27 46  1  0  0  0  0
M  END

$$$$
D04ZMS
  -OEChem-10101305022D

 50 53  0     1  0  0  0  0  0999 V2000
    9.7942    1.4827    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942   -1.5173    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    5.4641    0.9827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    1.4827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.0173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    0.9827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.5173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -0.5173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.4827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282   -0.0173    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.9282    0.9827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.9827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942   -0.5173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603   -0.0173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603    0.9827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.4827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.0173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5542   -0.5520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5542    1.5173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.9827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.4603   -0.0381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4603    1.0035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.6027    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1 16  1  0  0  0  0
  2 14  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
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  5  7  1  0  0  0  0
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 10 13  1  0  0  0  0
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 13 17  2  0  0  0  0
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 15 16  1  0  0  0  0
 15 19  2  0  0  0  0
 16 20  2  0  0  0  0
 17 21  1  0  0  0  0
 17 42  1  0  0  0  0
 18 22  2  0  0  0  0
 18 43  1  0  0  0  0
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 20 25  1  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 49  1  0  0  0  0
 24 25  2  0  0  0  0
 24 48  1  0  0  0  0
 25 50  1  0  0  0  0
M  END

$$$$
D04ZOI
  -OEChem-10101305032D

 39 40  0     0  0  0  0  0  0999 V2000
    4.6551    4.5684    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9641    5.5194    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    5.4641    2.9806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -4.0194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -4.0194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.4806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    3.9806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.4806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.5981    1.4806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.6540   -1.9368    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2554   -2.6271    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.0654    4.3768    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
  1 37  1  0  0  0  0
  2 18  1  0  0  0  0
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  3 20  1  0  0  0  0
  3 21  1  0  0  0  0
  4  6  1  0  0  0  0
  4 22  1  0  0  0  0
  4 23  1  0  0  0  0
  5  7  1  0  0  0  0
  5 24  1  0  0  0  0
  5 25  1  0  0  0  0
  6  9  2  0  0  0  0
  6 10  1  0  0  0  0
  7 13  1  0  0  0  0
  7 26  1  0  0  0  0
  7 27  1  0  0  0  0
  8 11  1  0  0  0  0
  8 12  1  0  0  0  0
  8 28  1  0  0  0  0
  8 29  1  0  0  0  0
  9 14  1  0  0  0  0
  9 30  1  0  0  0  0
 10 15  2  0  0  0  0
 10 31  1  0  0  0  0
 11 16  1  0  0  0  0
 11 32  1  0  0  0  0
 11 33  1  0  0  0  0
 12 18  2  0  0  0  0
 13 16  3  0  0  0  0
 14 17  2  0  0  0  0
 14 34  1  0  0  0  0
 15 17  1  0  0  0  0
 15 35  1  0  0  0  0
 17 36  1  0  0  0  0
 18 38  1  0  0  0  0
 19 39  1  0  0  0  0
M  END

$$$$
D04ZPF
  -OEChem-10101305032D

 41 43  0     0  0  0  0  0  0999 V2000
    2.8660    0.6900    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.3100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    2.6900    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
    5.4641    1.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    1.1900    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
    7.1962    2.1900    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
    5.4641   -0.8100    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
    5.4641   -1.8100    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
    6.3301   -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
    3.7320   -1.8100    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
    2.8660   -2.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8660   -3.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    0.3800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4082    0.6074    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8067    1.2977    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8535    1.2977    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2520    0.6074    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8067    2.0823    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4082    2.7726    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8535    2.0823    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    3.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.9272   -2.1200    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
    6.3301   -2.9300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -2.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -0.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.2460   -3.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.9300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4860   -3.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 17  1  0  0  0  0
  2 10  1  0  0  0  0
  2 15  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  3 31  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4  9  1  0  0  0  0
  4 22  1  0  0  0  0
  5  7  1  0  0  0  0
  5 25  1  0  0  0  0
  5 26  1  0  0  0  0
  6  8  1  0  0  0  0
  6 23  1  0  0  0  0
  6 24  1  0  0  0  0
  7 29  1  0  0  0  0
  7 30  1  0  0  0  0
  8 27  1  0  0  0  0
  8 28  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  2  0  0  0  0
 10 12  2  0  0  0  0
 11 13  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
 13 14  2  0  0  0  0
 13 34  1  0  0  0  0
 14 35  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
 16 36  1  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
 18 21  1  0  0  0  0
 19 20  2  0  0  0  0
 19 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
M  END

$$$$
D04ZPU
  -OEChem-10101305022D

 27 29  0     0  0  0  0  0  0999 V2000
    3.4782   -1.3072    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6691    0.0941    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5827   -0.3126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4487    0.1874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5000   -1.5151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.6490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1808    0.1874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3147   -0.3126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1808    1.1874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4487    1.1874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3147    1.6874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0747   -0.3473    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0747    1.7220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9808    0.1665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9808    1.2082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9336   -1.7672    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6916   -2.1047    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5851   -0.1883    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4984   -1.0135    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9389   -1.7220    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3147   -0.9326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9118    1.4974    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3147    2.3074    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0675   -0.9673    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0675    2.3420    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5165   -0.1455    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5165    1.5202    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 20  1  0  0  0  0
  2  3  2  0  0  0  0
  2  6  1  0  0  0  0
  3  4  1  0  0  0  0
  4  8  2  0  0  0  0
  4 10  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 18  1  0  0  0  0
  6 19  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 12  2  0  0  0  0
  8 21  1  0  0  0  0
  9 11  1  0  0  0  0
  9 13  2  0  0  0  0
 10 11  2  0  0  0  0
 10 22  1  0  0  0  0
 11 23  1  0  0  0  0
 12 14  1  0  0  0  0
 12 24  1  0  0  0  0
 13 15  1  0  0  0  0
 13 25  1  0  0  0  0
 14 15  2  0  0  0  0
 14 26  1  0  0  0  0
 15 27  1  0  0  0  0
M  END

$$$$
D04ZQC
  -OEChem-10101305022D

 35 36  0     0  0  0  0  0  0999 V2000
    4.5981    0.1550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -4.3450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    3.6550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    3.6550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    4.6550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.1550    0.0000 O   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
    3.7320   -2.3450    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
    2.8660   -2.8450    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
    5.4641    1.6550    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
    2.8660   -3.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.3301    2.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7320   -4.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  9  1  0  0  0  0
  1 13  1  0  0  0  0
  2 14  1  0  0  0  0
  2 32  1  0  0  0  0
  3 19  1  0  0  0  0
  3 33  1  0  0  0  0
  4 20  1  0  0  0  0
  4 34  1  0  0  0  0
  5 21  1  0  0  0  0
  5 35  1  0  0  0  0
  6 13  2  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 22  1  0  0  0  0
  7 23  1  0  0  0  0
  8 10  2  0  0  0  0
  8 11  1  0  0  0  0
  9 24  1  0  0  0  0
  9 25  1  0  0  0  0
 10 14  1  0  0  0  0
 10 26  1  0  0  0  0
 11 15  2  0  0  0  0
 11 27  1  0  0  0  0
 12 13  1  0  0  0  0
 12 16  2  0  0  0  0
 12 17  1  0  0  0  0
 14 18  2  0  0  0  0
 15 18  1  0  0  0  0
 15 30  1  0  0  0  0
 16 20  1  0  0  0  0
 16 28  1  0  0  0  0
 17 19  2  0  0  0  0
 17 29  1  0  0  0  0
 18 31  1  0  0  0  0
 19 21  1  0  0  0  0
 20 21  2  0  0  0  0
M  END

$$$$
D04ZQJ
  -OEChem-10101305032D

 36 38  0     0  0  0  0  0  0999 V2000
    2.3660   -0.7189    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.5526    1.1082    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7320   -3.7578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3660   -0.7189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0570   -1.6700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3159    3.5352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -4.7578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 10 25  1  0  0  0  0
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 13 14  1  0  0  0  0
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 20 34  1  0  0  0  0
 21 22  1  0  0  0  0
 21 35  1  0  0  0  0
 22 36  1  0  0  0  0
M  END

$$$$
D04ZQL
  -OEChem-10101305022D

  1  0  0     0  0  0  0  0  0999 V2000
    2.0000    0.0000    0.0000 Br  0  5  0  0  0  0  0  0  0  0  0  0
M  CHG  1   1  -1
M  END

$$$$
D04ZQX
  -OEChem-10101305022D

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 18 21  1  0  0  0  0
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 19 24  2  0  0  0  0
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 20 24  1  0  0  0  0
 20 50  1  0  0  0  0
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 22 25  2  0  0  0  0
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 23 54  1  0  0  0  0
 24 55  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
 26 59  1  0  0  0  0
M  END

$$$$
D04ZSZ
  -OEChem-04152111152D

 48 52  0     1  0  0  0  0  0999 V2000
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 26 27  1  0  0  0  0
 26 47  1  0  0  0  0
 27 48  1  0  0  0  0
M  END

$$$$
D04ZTH
  -OEChem-10101305022D

 28 30  0     0  0  0  0  0  0999 V2000
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    6.3301   -1.6682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.1682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4071    1.9196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4347   -2.6627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0981    2.8706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4128   -2.8706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0981    2.8706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9128   -2.0046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.3318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    0.1418    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9967    1.7280    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9739   -3.0776    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4625    3.3722    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6650   -3.4370    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7336    3.3722    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5294   -1.9398    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.2882    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -1.3582    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  1 17  1  0  0  0  0
  2 11  1  0  0  0  0
  2 18  1  0  0  0  0
  3  7  2  0  0  0  0
  3 12  1  0  0  0  0
  4 12  1  0  0  0  0
  4 27  1  0  0  0  0
  4 28  1  0  0  0  0
  5 19  3  0  0  0  0
  6  8  2  0  0  0  0
  6  9  1  0  0  0  0
  6 10  1  0  0  0  0
  7  8  1  0  0  0  0
  7 11  1  0  0  0  0
  8 20  1  0  0  0  0
  9 13  2  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
 13 15  1  0  0  0  0
 13 21  1  0  0  0  0
 14 16  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
 16 18  2  0  0  0  0
 16 24  1  0  0  0  0
 17 25  1  0  0  0  0
 18 26  1  0  0  0  0
M  END

$$$$
D04ZVO
  -OEChem-04152111332D

 49 36  0     0  0  0  0  0  0999 V2000
    0.2869    4.9030    0.0000 Zr  0  0  0  0  0  0  0  0  0  0  0  0
    4.4768    5.1530    0.0000 Si  0  0  0  0  0  0  0  0  0  0  0  0
    9.2828    1.4030    0.0000 Si  0  0  0  0  0  0  0  0  0  0  0  0
   14.0887    5.1530    0.0000 Si  0  0  0  0  0  0  0  0  0  0  0  0
    8.5813    7.3059    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    8.5813    9.8059    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    5.3429    5.6530    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6108    4.6530    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9768    6.0190    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9768    4.2869    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1488    1.9030    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4167    0.9030    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7828    2.2690    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7828    0.5369    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.9547    5.6530    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.2227    4.6530    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.5887    6.0190    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5887    4.2869    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5369    7.4030    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4768    8.5559    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2828    4.8059    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.0887    8.5559    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2828   12.3059    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4473    7.8059    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    9.4473   10.3059    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    5.8798    5.3430    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0739    4.9630    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    6.5559    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6668    3.7500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6857    1.5930    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8798    1.2130    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0928    2.8059    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4728    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.4916    5.3430    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.6857    4.9630    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.8987    6.5559    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.2787    3.7500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0739    7.7130    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.7130    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0138    8.8659    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9399    8.8659    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8197    5.1159    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7458    5.1159    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.6256    8.8659    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.5517    8.8659    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8197   12.6159    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7458   12.6159    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9842    7.4959    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9842    9.9959    0.0000 H   0  0  0  0  0  0  0  0  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
  2 10  1  0  0  0  0
  3 11  1  0  0  0  0
  3 12  1  0  0  0  0
  3 13  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
  4 17  1  0  0  0  0
  4 18  1  0  0  0  0
  7 26  1  0  0  0  0
  8 27  1  0  0  0  0
  9 28  1  0  0  0  0
 10 29  1  0  0  0  0
 11 30  1  0  0  0  0
 12 31  1  0  0  0  0
 13 32  1  0  0  0  0
 14 33  1  0  0  0  0
 15 34  1  0  0  0  0
 16 35  1  0  0  0  0
 17 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
 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
 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 48  1  0  0  0  0
 25 49  1  0  0  0  0
M  CHG  4   5   1   6   1  24  -1  25  -1
M  END

$$$$
D04ZWF
  -OEChem-10191521472D

 50 53  0     0  0  0  0  0  0999 V2000
    7.0468    2.7500    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.3147    5.7500    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   11.3769   -5.7500    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   12.2429   -4.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0468   -0.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5827    1.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.9128   -2.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1808    1.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3147   -0.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6448   -2.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.0864    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.3769   -4.7500    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   11.3769   -2.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0468   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9128   -1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3147    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4487    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3147    2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1808    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4487    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7788   -3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1808    3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4487    3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4782    2.7445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6691    1.3433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7788   -4.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1808    4.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4487    4.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3147    4.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5000    2.9524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5109   -4.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6448   -4.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5109   -3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4362   -1.1423    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8347   -1.8326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5234   -1.8577    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1249   -1.1674    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5837    0.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3759   -3.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9118   -0.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9118    2.9400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9389    3.1594    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5402    0.7368    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2419   -4.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7177    4.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9118    4.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6448   -5.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2478    3.5188    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9138   -3.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3769   -2.1300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 22  1  0  0  0  0
  2 29  1  0  0  0  0
  3 12  1  0  0  0  0
  4 12  2  0  0  0  0
  5 14  1  0  0  0  0
  5 19  1  0  0  0  0
  5 38  1  0  0  0  0
  6 17  1  0  0  0  0
  6 24  1  0  0  0  0
  6 25  1  0  0  0  0
  7 15  1  0  0  0  0
  7 21  1  0  0  0  0
  7 39  1  0  0  0  0
  8 16  2  0  0  0  0
  8 19  1  0  0  0  0
  9 19  2  0  0  0  0
  9 20  1  0  0  0  0
 10 21  2  0  0  0  0
 10 33  1  0  0  0  0
 11 25  2  0  0  0  0
 11 30  1  0  0  0  0
 12 31  1  0  0  0  0
 13 33  1  0  0  0  0
 13 49  1  0  0  0  0
 13 50  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 36  1  0  0  0  0
 15 37  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 20  2  0  0  0  0
 18 22  2  0  0  0  0
 18 23  1  0  0  0  0
 20 40  1  0  0  0  0
 21 26  1  0  0  0  0
 22 27  1  0  0  0  0
 23 28  2  0  0  0  0
 23 41  1  0  0  0  0
 24 30  2  0  0  0  0
 24 42  1  0  0  0  0
 25 43  1  0  0  0  0
 26 32  2  0  0  0  0
 26 44  1  0  0  0  0
 27 29  2  0  0  0  0
 27 45  1  0  0  0  0
 28 29  1  0  0  0  0
 28 46  1  0  0  0  0
 30 48  1  0  0  0  0
 31 32  1  0  0  0  0
 31 33  2  0  0  0  0
 32 47  1  0  0  0  0
M  CHG  2   3  -1  12   1
M  END

$$$$
D04ZWS
  -OEChem-10101305022D

 50 52  0     1  0  0  0  0  0999 V2000
    5.0274    0.6292    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    6.1391   -0.9083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5274   -0.9097    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.3364   -0.3219    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.8370   -1.8543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7183   -0.3219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8311   -1.8534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7183   -1.4975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0274    0.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6151    1.4382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7029   -0.5541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8229   -2.4920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3424    1.4139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.2145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3219    1.2052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2084    2.3517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0138   -3.0798    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7962    3.1608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1184   -4.0743    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1003   -2.6730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3895    4.0743    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7907    3.0562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8384    0.0419    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2308   -1.9844    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9027   -2.4708    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7664   -2.4701    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4375   -1.9825    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4466   -0.9402    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1224   -1.6684    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7291   -0.7177    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0458    0.9922    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1292    1.7849    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1  4  1  0  0  0  0
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  1 10  1  0  0  0  0
  2  4  1  0  0  0  0
  2  7  1  0  0  0  0
  2 30  1  0  0  0  0
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 15 37  1  0  0  0  0
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 18 21  1  0  0  0  0
 18 22  1  0  0  0  0
 19 39  1  0  0  0  0
 19 43  1  0  0  0  0
 19 44  1  0  0  0  0
 20 40  1  0  0  0  0
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 20 42  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
M  END

$$$$
D04ZYA
  -OEChem-04152109542D

 35 37  0     1  0  0  0  0  0999 V2000
    4.5981    2.1900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.3100    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    3.7320   -1.3100    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.8660   -0.8100    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.6783   -1.0053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783   -2.6147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2619   -1.8100    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
    2.0000   -2.3100    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
    3.7320    0.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7320    1.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    2.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7977   -0.6935    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -0.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  2  3  1  0  0  0  0
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  3  4  1  0  0  0  0
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  3 17  1  0  0  0  0
  4  7  1  0  0  0  0
  4 11  1  6  0  0  0
  4 18  1  0  0  0  0
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  5 19  1  0  0  0  0
  5 20  1  0  0  0  0
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  6 21  1  0  0  0  0
  6 22  1  0  0  0  0
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 10 29  1  0  0  0  0
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 13 15  2  0  0  0  0
 13 32  1  0  0  0  0
 14 16  2  0  0  0  0
 15 16  1  0  0  0  0
 15 33  1  0  0  0  0
 16 34  1  0  0  0  0
M  END

$$$$
D04ZZQ
  MDL     03220707552D 1   1.00000     0.00000     0

 26 30  0     0  0            999 V2000
   -2.9264    0.0542    0.0000 N   0  0  0  0  0  0           0  0  0
   -2.9276   -0.8481    0.0000 C   0  0  0  0  0  0           0  0  0
   -2.1461   -1.2985    0.0000 N   0  0  0  0  0  0           0  0  0
   -2.1479    0.5045    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.3701    0.0579    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.3610   -0.8482    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.4983   -1.1254    0.0000 N   0  0  3  0  0  0           0  0  0
    0.0280   -0.3876    0.0000 N   0  0  0  0  0  0           0  0  0
   -0.5062    0.3442    0.0000 N   0  0  0  0  0  0           0  0  0
   -2.1504    1.4045    0.0000 S   0  0  0  0  0  0           0  0  0
   -2.9327    1.8524    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.2179   -1.9794    0.0000 C   0  0  0  0  0  0           0  0  0
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    0.9448   -3.0150    0.0000 C   0  0  0  0  0  0           0  0  0
    1.8227   -3.1987    0.0000 C   0  0  0  0  0  0           0  0  0
    2.4221   -2.5278    0.0000 C   0  0  0  0  0  0           0  0  0
    2.1379   -1.6665    0.0000 C   0  0  0  0  0  0           0  0  0
    1.2564   -1.4907    0.0000 C   0  0  0  0  0  0           0  0  0
   -3.0322    2.7512    0.0000 O   0  0  0  0  0  0           0  0  0
   -3.7545    1.4891    0.0000 N   0  0  0  0  0  0           0  0  0
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   -3.9113    2.9347    0.0000 C   0  0  0  0  0  0           0  0  0
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   -5.2516    2.1499    0.0000 C   0  0  0  0  0  0           0  0  0
  2  3  1  0     0  0
 12 13  1  0     0  0
  3  6  2  0     0  0
 13 14  2  0     0  0
  1  2  2  0     0  0
 14 15  1  0     0  0
  5  4  2  0     0  0
 15 16  2  0     0  0
  6  7  1  0     0  0
 16 17  1  0     0  0
  7  8  1  0     0  0
 17 18  2  0     0  0
 18 13  1  0     0  0
 11 19  1  0     0  0
  8  9  2  0     0  0
  9  5  1  0     0  0
 19 22  1  0     0  0
 21 20  1  0     0  0
 20 11  2  0     0  0
  4  1  1  0     0  0
  4 10  1  0     0  0
 21 22  2  0     0  0
  5  6  1  0     0  0
 22 23  1  0     0  0
 10 11  1  0     0  0
 23 24  2  0     0  0
 24 25  1  0     0  0
  7 12  1  0     0  0
 25 26  2  0     0  0
 26 21  1  0     0  0
M  END

$$$$
D04ZZU
  -OEChem-10101305022D

 36 39  0     0  0  0  0  0  0999 V2000
    7.2641    3.2673    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.6660   -3.2327    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321    0.2673    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000    0.2673    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660   -1.2327    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000   -1.7327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321   -1.7327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321   -2.7327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000   -2.7327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4260   -1.1980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9061   -1.1980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0000   -1.7118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1 22  1  0  0  0  0
  2  8  1  0  0  0  0
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  3 14  1  0  0  0  0
  3 19  1  0  0  0  0
  4 14  2  0  0  0  0
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  5 14  1  0  0  0  0
  6  9  1  0  0  0  0
  6 11  2  0  0  0  0
  7  8  1  0  0  0  0
  7 10  2  0  0  0  0
  8 12  2  0  0  0  0
  9 13  2  0  0  0  0
 10 15  1  0  0  0  0
 10 26  1  0  0  0  0
 11 16  1  0  0  0  0
 11 25  1  0  0  0  0
 12 18  1  0  0  0  0
 12 28  1  0  0  0  0
 13 17  1  0  0  0  0
 13 27  1  0  0  0  0
 15 18  2  0  0  0  0
 15 30  1  0  0  0  0
 16 17  2  0  0  0  0
 16 29  1  0  0  0  0
 17 31  1  0  0  0  0
 18 32  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 33  1  0  0  0  0
 21 23  2  0  0  0  0
 21 34  1  0  0  0  0
 22 24  2  0  0  0  0
 23 24  1  0  0  0  0
 23 35  1  0  0  0  0
 24 36  1  0  0  0  0
M  END

$$$$
D05ABT
  -OEChem-10101305022D

 20 21  0     0  0  0  0  0  0999 V2000
    5.0032    1.8649    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4154    2.6739    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.0000    1.2740    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    5.3122    0.9139    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6942    0.9139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372   -1.1739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  4  1  0  0  0  0
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 11 17  1  0  0  0  0
 12 13  1  0  0  0  0
 12 18  1  0  0  0  0
 13 19  1  0  0  0  0
 14 20  1  0  0  0  0
M  CHG  2   2  -1   4   1
M  END

$$$$
D05ACE
  -OEChem-10101305022D

 28 30  0     0  0  0  0  0  0999 V2000
    6.6132   -2.7694    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.5823    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.8042    1.8184    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1132    2.7694    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1132    2.7694    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6132    1.2306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6132    0.2306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8532    1.5094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4223    1.8184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7472   -0.2694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4793   -0.2694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1100    2.1785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6453    0.5312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7472   -1.2694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4793   -1.2694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1590    1.8695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6942    0.2222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6132   -1.7694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9511    0.8913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0119    1.6268    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2103    0.0406    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0162    0.0406    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2389    2.7849    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1060    0.1163    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2103   -1.5794    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0162   -1.5794    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6982    2.2843    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5653   -0.3843    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  4  1  0  0  0  0
  3  6  1  0  0  0  0
  3  8  1  0  0  0  0
  4  5  2  0  0  0  0
  5  9  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 12  2  0  0  0  0
  8 13  1  0  0  0  0
  9 20  1  0  0  0  0
 10 14  1  0  0  0  0
 10 21  1  0  0  0  0
 11 15  2  0  0  0  0
 11 22  1  0  0  0  0
 12 16  1  0  0  0  0
 12 23  1  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 25  1  0  0  0  0
 15 18  1  0  0  0  0
 15 26  1  0  0  0  0
 16 19  2  0  0  0  0
 16 27  1  0  0  0  0
 17 19  1  0  0  0  0
 17 28  1  0  0  0  0
M  END

$$$$
D05ADD
  -OEChem-10101305022D

 33 34  0     0  0  0  0  0  0999 V2000
    4.5981    2.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -4.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.0981    2.8660    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0981    1.1340    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.5000    0.0000 O   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
    3.7320    0.5000    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
    2.8660    0.0000    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
    6.3301    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
    7.1962    2.5000    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
    2.0000   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.5000    0.0000 C   0  0  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
    2.0000   -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
    2.8660   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5200    2.0826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1215    1.3923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9441   -0.0826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3426    0.6077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    1.3800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9272    3.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    2.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    4.6200    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
    4.2690   -1.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    3.8100    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
    4.2690   -2.8100    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  6  1  0  0  0  0
  1  8  1  0  0  0  0
  2 20  1  0  0  0  0
  5  9  2  0  0  0  0
  6  7  1  0  0  0  0
  6 21  1  0  0  0  0
  6 22  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 11  2  0  0  0  0
  8 12  1  0  0  0  0
  9 10  1  0  0  0  0
 10 15  2  0  0  0  0
 10 16  1  0  0  0  0
 11 13  1  0  0  0  0
 11 25  1  0  0  0  0
 12 14  2  0  0  0  0
 12 26  1  0  0  0  0
 13 17  2  0  0  0  0
 13 27  1  0  0  0  0
 14 17  1  0  0  0  0
 14 28  1  0  0  0  0
 15 18  1  0  0  0  0
 15 29  1  0  0  0  0
 16 19  2  0  0  0  0
 16 30  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
 19 20  1  0  0  0  0
 19 33  1  0  0  0  0
M  END

$$$$
D05AEG
  -OEChem-10101305022D

 28 30  0     0  0  0  0  0  0999 V2000
    8.6907   -0.2918    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5274    1.4148    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0547    0.2905    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3991   -1.4458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0274   -0.1241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0274   -0.1241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3364    0.8270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7183    0.8270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7123   -0.9088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3424   -0.9088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7029    1.0592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3518    1.0592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7328   -0.7001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3219   -0.7001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.2905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3780   -1.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0443   -1.9874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5274    2.0348    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5139   -1.4962    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5408   -1.4962    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5182    1.6510    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5365    1.6510    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9088   -1.1625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3940    0.4218    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2052   -2.0348    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5820   -2.4005    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4574   -2.4498    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5066   -1.5743    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 16  2  0  0  0  0
  2  7  1  0  0  0  0
  2  8  1  0  0  0  0
  2 18  1  0  0  0  0
  3 12  1  0  0  0  0
  3 13  2  0  0  0  0
  4 13  1  0  0  0  0
  4 16  1  0  0  0  0
  4 25  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  1  0  0  0  0
  6 10  2  0  0  0  0
  7 12  2  0  0  0  0
  8 11  2  0  0  0  0
  9 13  1  0  0  0  0
  9 19  1  0  0  0  0
 10 14  1  0  0  0  0
 10 20  1  0  0  0  0
 11 15  1  0  0  0  0
 11 21  1  0  0  0  0
 12 22  1  0  0  0  0
 14 15  2  0  0  0  0
 14 23  1  0  0  0  0
 15 24  1  0  0  0  0
 16 17  1  0  0  0  0
 17 26  1  0  0  0  0
 17 27  1  0  0  0  0
 17 28  1  0  0  0  0
M  END

$$$$
D05AFI
  -OEChem-04152122252D

 66 67  0     1  0  0  0  0  0999 V2000
   10.4721    6.9340    0.0000 Br  0  5  0  0  0  0  0  0  0  0  0  0
   10.4721    4.4340    0.0000 Br  0  5  0  0  0  0  0  0  0  0  0  0
    3.3520    2.4030    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1200    9.4651    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9860    3.7690    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4860    8.0991    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6200    1.4030    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    6.8520   10.4651    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    1.6200    2.4030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8520    9.4651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4860    0.9030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9860   10.9651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4860    2.9030    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.9860    8.9651    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.3520    1.4030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1200   10.4651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1200    0.5369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6200    1.4030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3520   11.3312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8520   10.4651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9860    3.7690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4860    8.0991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9860    3.7690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4860    8.0991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4860    4.6350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.4860    6.3671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.9860    7.2331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9860    5.5010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4860    6.3671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4080    2.9856    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    3.5641    0.8204    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9626    1.5106    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9079   11.0477    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5094   10.3575    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5831    0.8469    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8100    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6569    0.2269    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6200    2.0230    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4030    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6200    0.7830    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8890   11.0212    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6620   11.8681    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8151   11.6412    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8520    9.8451    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4720   10.4651    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8520   11.0851    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3660    3.7690    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1060    8.0991    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2960    3.2320    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1760    8.6360    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8660    4.6350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6060    7.2331    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1060    4.6350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3660    7.2331    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6760    6.0380    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7960    5.8301    0.0000 H   0  0  0  0  0  0  0  0  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 16  1  0  0  0  0
  5 13  1  0  0  0  0
  5 57  1  0  0  0  0
  6 14  1  0  0  0  0
  6 58  1  0  0  0  0
  7  9  1  0  0  0  0
  7 11  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 12  1  0  0  0  0
  8 19  1  0  0  0  0
  8 20  1  0  0  0  0
  9 13  1  0  0  0  0
  9 33  1  0  0  0  0
  9 34  1  0  0  0  0
 10 14  1  0  0  0  0
 10 35  1  0  0  0  0
 10 36  1  0  0  0  0
 11 15  1  0  0  0  0
 11 37  1  0  0  0  0
 11 38  1  0  0  0  0
 12 16  1  0  0  0  0
 12 39  1  0  0  0  0
 12 40  1  0  0  0  0
 13 21  1  0  0  0  0
 14 22  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 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
 18 50  1  0  0  0  0
 19 51  1  0  0  0  0
 19 52  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
 20 56  1  0  0  0  0
 21 23  2  0  0  0  0
 21 25  1  0  0  0  0
 22 24  2  0  0  0  0
 22 26  1  0  0  0  0
 23 29  1  0  0  0  0
 23 59  1  0  0  0  0
 24 30  1  0  0  0  0
 24 60  1  0  0  0  0
 25 31  2  0  0  0  0
 25 61  1  0  0  0  0
 26 32  2  0  0  0  0
 26 62  1  0  0  0  0
 27 28  1  0  0  0  0
 27 29  2  0  0  0  0
 27 31  1  0  0  0  0
 28 30  2  0  0  0  0
 28 32  1  0  0  0  0
 29 63  1  0  0  0  0
 30 64  1  0  0  0  0
 31 65  1  0  0  0  0
 32 66  1  0  0  0  0
M  CHG  4   1  -1   2  -1   7   1   8   1
M  END

$$$$
D05AFV
  -OEChem-10101305022D

 74 78  0     1  0  0  0  0  0999 V2000
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    5.9397    3.6848    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3303    3.6848    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    6.3301   -0.2089    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1316    1.0761    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    5.5734   -3.3372    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4859    1.2558    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    1.4811    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5380    1.9111    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4859   -2.0535    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9349    0.4340    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9349   -1.2317    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8705    1.1262    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6675    1.1262    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -3.5189    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    6.5291    3.4921    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5150   -4.6310    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0000    1.9111    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1 16  2  0  0  0  0
  2 17  2  0  0  0  0
  3 34  1  0  0  0  0
  3 73  1  0  0  0  0
  4 37  1  0  0  0  0
  4 74  1  0  0  0  0
  5 34  2  0  0  0  0
  6 11  1  0  0  0  0
  6 13  1  0  0  0  0
  6 16  1  0  0  0  0
  7 17  1  0  0  0  0
 21  7  1  1  0  0  0
  7 52  1  0  0  0  0
 18  8  1  1  0  0  0
  8 58  1  0  0  0  0
  8 59  1  0  0  0  0
  9 26  1  0  0  0  0
  9 30  1  0  0  0  0
  9 60  1  0  0  0  0
 10 26  2  0  0  0  0
 10 31  1  0  0  0  0
 11 12  1  0  0  0  0
 11 17  1  6  0  0  0
 11 42  1  0  0  0  0
 12 14  1  0  0  0  0
 12 43  1  0  0  0  0
 12 44  1  0  0  0  0
 13 15  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
 14 20  2  0  0  0  0
 15 22  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 47  1  0  0  0  0
 19 23  1  0  0  0  0
 19 48  1  0  0  0  0
 19 49  1  0  0  0  0
 20 24  1  0  0  0  0
 20 50  1  0  0  0  0
 21 26  1  0  0  0  0
 21 27  1  0  0  0  0
 21 51  1  0  0  0  0
 22 25  1  0  0  0  0
 22 53  1  0  0  0  0
 23 28  2  0  0  0  0
 23 29  1  0  0  0  0
 24 25  2  0  0  0  0
 24 54  1  0  0  0  0
 25 55  1  0  0  0  0
 27 34  1  0  0  0  0
 27 56  1  0  0  0  0
 27 57  1  0  0  0  0
 28 32  1  0  0  0  0
 28 35  1  0  0  0  0
 29 33  2  0  0  0  0
 29 36  1  0  0  0  0
 30 31  1  0  0  0  0
 30 38  2  0  0  0  0
 31 39  2  0  0  0  0
 32 37  2  0  0  0  0
 32 61  1  0  0  0  0
 33 37  1  0  0  0  0
 33 62  1  0  0  0  0
 35 63  1  0  0  0  0
 35 64  1  0  0  0  0
 35 65  1  0  0  0  0
 36 66  1  0  0  0  0
 36 67  1  0  0  0  0
 36 68  1  0  0  0  0
 38 40  1  0  0  0  0
 38 69  1  0  0  0  0
 39 41  1  0  0  0  0
 39 70  1  0  0  0  0
 40 41  2  0  0  0  0
 40 71  1  0  0  0  0
 41 72  1  0  0  0  0
M  END

$$$$
D05AFW
  -OEChem-10101305032D

 29 28  0     0  0  0  0  0  0999 V2000
    5.6720    3.5785    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.2690    5.5369    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.1350    7.0369    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    7.0369    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    2.0369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    1.0369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    4.0369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2690    2.5369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5369    2.5369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2690    3.5369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5369    3.5369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    5.0369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1 29  1  0  0  0  0
  2 12  1  0  0  0  0
  2 14  1  0  0  0  0
  3 14  1  0  0  0  0
  3 26  1  0  0  0  0
  3 27  1  0  0  0  0
  4 14  2  0  0  0  0
  4 28  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 13  1  0  0  0  0
  6 15  1  0  0  0  0
  6 16  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 17  1  0  0  0  0
  9 11  2  0  0  0  0
  9 18  1  0  0  0  0
 10 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
 13 25  1  0  0  0  0
M  END

$$$$
D05AGK
  -OEChem-10101305022D

 54 56  0     1  0  0  0  0  0999 V2000
    4.5981   -4.0600    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.0981   -4.9260    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0981   -3.1940    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7320   -2.5600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.3301   -1.0600    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    6.3301    3.9400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 30 53  1  0  0  0  0
M  END

$$$$
D05AHZ
  -OEChem-10101305022D

 35 35  0     0  0  0  0  0  0999 V2000
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 17 32  1  0  0  0  0
 18 33  1  0  0  0  0
M  END

$$$$
D05AIB
  -OEChem-04152110222D

213218  0     1  0  0  0  0  0999 V2000
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M  END

$$$$
D05AIM
  -OEChem-04152110182D

480484  0     1  0  0  0  0  0999 V2000
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238239  1  0  0  0  0
238474  1  0  0  0  0
239476  1  0  0  0  0
239477  1  0  0  0  0
M  END

$$$$
D05AIN
  -OEChem-10101305022D

 41 43  0     0  0  0  0  0  0999 V2000
    6.3301    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 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
    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
    4.5981    1.6900    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
    5.4641    2.1900    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
    5.4641    3.1900    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
    2.8660   -2.3100    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    3.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.8100    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   -3.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    1.0000    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
    3.1215   -0.7023    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8660   -1.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8660   -4.9300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -4.1200    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 13  1  0  0  0  0
  1 41  1  0  0  0  0
  2  6  1  0  0  0  0
  2  7  1  0  0  0  0
  2  9  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3  8  1  0  0  0  0
  3 21  1  0  0  0  0
  4  6  1  0  0  0  0
  4 22  1  0  0  0  0
  4 23  1  0  0  0  0
  5  7  1  0  0  0  0
  5 24  1  0  0  0  0
  5 25  1  0  0  0  0
  6 26  1  0  0  0  0
  6 27  1  0  0  0  0
  7 28  1  0  0  0  0
  7 29  1  0  0  0  0
  8 11  2  0  0  0  0
  8 12  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 15  2  0  0  0  0
 10 16  1  0  0  0  0
 11 13  1  0  0  0  0
 11 32  1  0  0  0  0
 12 14  2  0  0  0  0
 12 33  1  0  0  0  0
 13 17  2  0  0  0  0
 14 17  1  0  0  0  0
 14 34  1  0  0  0  0
 15 18  1  0  0  0  0
 15 35  1  0  0  0  0
 16 19  2  0  0  0  0
 16 36  1  0  0  0  0
 17 37  1  0  0  0  0
 18 20  2  0  0  0  0
 18 38  1  0  0  0  0
 19 20  1  0  0  0  0
 19 39  1  0  0  0  0
 20 40  1  0  0  0  0
M  END

$$$$
D05AIT
  -OEChem-10101305032D

 29 31  0     0  0  0  0  0  0999 V2000
   10.0885   -2.0580    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    8.7036   -0.9365    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    0.5580    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    0.0580    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    0.5580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    0.0580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    0.5580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991    0.0580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    1.5580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    1.5580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.5580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -0.9420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    2.0580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    0.0580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5127    0.4647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -1.4420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -0.9420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1818   -0.2784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6818   -1.1444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.8680    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2700    1.8680    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    1.1780    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6720   -1.2520    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    2.6780    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6416    1.0712    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -2.0620    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.2520    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7984   -0.2136    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.2480    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 19  1  0  0  0  0
  2  8  1  0  0  0  0
  2 19  1  0  0  0  0
  3 14  1  0  0  0  0
  3 29  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  9  1  0  0  0  0
  6 11  2  0  0  0  0
  6 12  1  0  0  0  0
  7  8  1  0  0  0  0
  7 10  2  0  0  0  0
  8 15  2  0  0  0  0
  9 13  2  0  0  0  0
  9 20  1  0  0  0  0
 10 13  1  0  0  0  0
 10 21  1  0  0  0  0
 11 14  1  0  0  0  0
 11 22  1  0  0  0  0
 12 16  2  0  0  0  0
 12 23  1  0  0  0  0
 13 24  1  0  0  0  0
 14 17  2  0  0  0  0
 15 18  1  0  0  0  0
 15 25  1  0  0  0  0
 16 17  1  0  0  0  0
 16 26  1  0  0  0  0
 17 27  1  0  0  0  0
 18 19  2  0  0  0  0
 18 28  1  0  0  0  0
M  END

$$$$
D05AJJ
  -OEChem-10191522492D

 32 34  0     0  0  0  0  0  0999 V2000
    3.4030   -2.7671    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -1.2671    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    0.2329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -0.2671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -0.2671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -1.2671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -1.7671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1629    0.2676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1629   -1.8017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0690   -0.2463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0690   -1.2879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9331    0.2571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6613    1.2638    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7972    0.7604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5292    0.7671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6574    2.2637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3933    1.2704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5215    2.7671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3895    2.2704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8015    0.7079    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0044    0.7079    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3249    0.3155    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9264   -0.3747    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.5771    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1558    0.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1558   -2.4217    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6047   -1.6000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5316    0.1471    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1193    2.5717    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9314    0.9625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5191    3.3871    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9252    2.5825    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  2  0  0  0  0
  2  5  1  0  0  0  0
  2  7  1  0  0  0  0
  2 24  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3 20  1  0  0  0  0
  3 21  1  0  0  0  0
  4  6  2  0  0  0  0
  4  8  1  0  0  0  0
  5 22  1  0  0  0  0
  5 23  1  0  0  0  0
  6  7  1  0  0  0  0
  6  9  1  0  0  0  0
  8 10  2  0  0  0  0
  8 25  1  0  0  0  0
  9 11  2  0  0  0  0
  9 26  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 11 27  1  0  0  0  0
 12 14  3  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
 13 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 30  1  0  0  0  0
 18 19  1  0  0  0  0
 18 31  1  0  0  0  0
 19 32  1  0  0  0  0
M  END

$$$$
D05AJZ
  -OEChem-10101305022D

 28 30  0     0  0  0  0  0  0999 V2000
    2.0000   -1.9505    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    5.5443   -1.7552    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4763    2.7058    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.4505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.4505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5443   -0.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1279   -0.9505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8550    0.8047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.0495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.9505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8550   -2.7058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.4505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.4505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1871    1.5490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8335    1.0110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4978    2.4996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1441    1.9615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7479   -0.9505    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.6695    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.5705    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2656   -2.8984    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0476   -3.2951    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4443   -2.5132    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -0.1405    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5804    1.4212    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2475    0.5495    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0837    2.9610    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7508    2.0893    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  1  0  0  0  0
  2  5  1  0  0  0  0
  2  7  1  0  0  0  0
  2 11  1  0  0  0  0
  3 16  2  0  0  0  0
  3 17  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  7 18  1  0  0  0  0
  8 14  2  0  0  0  0
  8 15  1  0  0  0  0
  9 12  2  0  0  0  0
  9 19  1  0  0  0  0
 10 13  2  0  0  0  0
 10 20  1  0  0  0  0
 11 21  1  0  0  0  0
 11 22  1  0  0  0  0
 11 23  1  0  0  0  0
 12 13  1  0  0  0  0
 12 24  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 27  1  0  0  0  0
 17 28  1  0  0  0  0
M  END

$$$$
D05AMQ
  -OEChem-10191522382D

 27 27  0     0  0  0  0  0  0999 V2000
    3.2601    1.4081    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.5202    0.1481    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.1481    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7601   -0.1307    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2601    1.4081    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7601   -1.1307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8940   -1.6307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8940   -2.6307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5691    0.4571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9511    0.4571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8479    2.2172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0280   -3.1307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4411    3.1307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9721   -1.7133    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3707   -1.0230    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6820   -1.0481    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2835   -1.7384    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1061   -3.2133    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5046   -2.5230    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2786    1.7712    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3619    2.5639    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7180   -2.5938    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4911   -3.4407    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3380   -3.6676    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0075    3.3829    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1890    3.6971    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8747    2.8785    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1 10  1  0  0  0  0
  2  9  2  0  0  0  0
  3 10  2  0  0  0  0
  4  6  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  1  0  0  0  0
  5  9  1  0  0  0  0
  5 11  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  8  1  0  0  0  0
  7 16  1  0  0  0  0
  7 17  1  0  0  0  0
  8 12  1  0  0  0  0
  8 18  1  0  0  0  0
  8 19  1  0  0  0  0
 11 13  1  0  0  0  0
 11 20  1  0  0  0  0
 11 21  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
 13 26  1  0  0  0  0
 13 27  1  0  0  0  0
M  END

$$$$
D05AMX
  -OEChem-04152108452D

 17 16  0     1  0  0  0  0  0999 V2000
    3.4030   -0.0950    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -0.5950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9030    0.7710    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9030   -0.9610    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -0.0950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    1.4050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -1.0950    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -0.0950    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0010    0.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6675    0.8799    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8705    0.8799    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6720   -0.4050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6720   -1.4050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.4050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.2850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4040    0.2150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  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
  2 16  1  0  0  0  0
  5 10  1  0  0  0  0
  5 17  1  0  0  0  0
  6 10  2  0  0  0  0
  9  7  1  1  0  0  0
  7 14  1  0  0  0  0
  7 15  1  0  0  0  0
  8  9  1  0  0  0  0
  8 11  1  0  0  0  0
  8 12  1  0  0  0  0
  9 10  1  0  0  0  0
  9 13  1  0  0  0  0
M  END

$$$$
D05ANK
  -OEChem-10101305022D

 37 39  0     1  0  0  0  0  0999 V2000
    6.7619    0.1690    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    4.6783    1.8398    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2619    1.0350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2619    1.0350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7619    0.1690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.5350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.5350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783    0.2303    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2619   -0.6970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2619   -0.6970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    2.0350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.0350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.5350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.5350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7619   -1.5630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2619   -0.6970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2619   -2.4291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7619   -1.5630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2619   -2.4291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8445    1.2471    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1542    1.6456    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3445    0.3811    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6542    0.7796    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8709    2.4291    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8709   -0.3590    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7249   -0.3870    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9519   -1.2340    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7988   -1.0070    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    2.6550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.5850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1419   -1.5630    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5719   -0.1601    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
    1.4631    0.2250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9519   -2.9660    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3819   -1.5630    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5719   -2.9660    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 10  1  0  0  0  0
  2  4  1  0  0  0  0
  2  6  1  0  0  0  0
  2 24  1  0  0  0  0
  3  4  1  0  0  0  0
  3 20  1  0  0  0  0
  3 21  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  1  0  0  0  0
  5 22  1  0  0  0  0
  5 23  1  0  0  0  0
  6  7  1  0  0  0  0
  6 11  2  0  0  0  0
  7  8  1  0  0  0  0
  7 12  2  0  0  0  0
  8 25  1  0  0  0  0
  9 15  2  0  0  0  0
  9 16  1  0  0  0  0
 10 26  1  0  0  0  0
 10 27  1  0  0  0  0
 10 28  1  0  0  0  0
 11 13  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
 13 14  2  0  0  0  0
 13 33  1  0  0  0  0
 14 34  1  0  0  0  0
 15 17  1  0  0  0  0
 15 31  1  0  0  0  0
 16 18  2  0  0  0  0
 16 32  1  0  0  0  0
 17 19  2  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
 19 37  1  0  0  0  0
M  END

$$$$
D05ANN
  -OEChem-10191522282D

 56 63  0     1  0  0  0  0  0999 V2000
    4.7095   -1.1251    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9191    0.4925    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5432   -2.6648    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5381   -0.2053    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5124    1.3098    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    6.0682   -0.1812    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.9343    0.3188    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.9343    1.3188    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.7031   -1.1055    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.8652    0.1888    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2022    0.3188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6256   -0.3806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0682    1.8188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7815    0.9844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2022    1.3188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7203    2.2879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4953   -1.6883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4155   -1.3414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9771    2.9570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3083   -0.2158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6681    3.9081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9990    3.1650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3083    1.8535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0242   -2.1064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4022    0.2980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4862   -2.9226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4022    1.3396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0416   -2.1509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9282   -3.8400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5047   -3.0578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9443   -3.9081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3593    2.0550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4460   -1.9157    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2704    0.3639    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4568    0.3740    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1949   -0.6262    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9753    0.1314    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    5.6697    2.2938    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5899    1.5740    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1751    0.8555    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2951    2.0556    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0488    2.8137    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4971    3.2947    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1311    1.0751    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2156    4.1992    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4732    3.4935    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7667    2.5901    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2864    4.3967    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3154    2.4735    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8665    1.6517    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3768   -1.6293    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5810   -4.3537    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.1026    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1238   -3.0921    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2198   -4.4635    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  1 20  1  0  0  0  0
  7  2  1  1  0  0  0
  2 45  1  0  0  0  0
  3 17  1  0  0  0  0
  3 26  1  0  0  0  0
  4 25  1  0  0  0  0
  4 54  1  0  0  0  0
  5  8  1  0  0  0  0
  5 14  1  0  0  0  0
  5 16  1  0  0  0  0
  6  7  1  0  0  0  0
  6  9  1  0  0  0  0
  6 10  1  1  0  0  0
  6 11  1  0  0  0  0
  7  8  1  0  0  0  0
  7 12  1  0  0  0  0
  8 13  1  0  0  0  0
  8 32  1  1  0  0  0
  9 17  1  0  0  0  0
  9 33  1  1  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 15  2  0  0  0  0
 11 20  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 15  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 23  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 18  2  0  0  0  0
 18 24  1  0  0  0  0
 19 21  1  0  0  0  0
 19 22  1  0  0  0  0
 19 44  1  0  0  0  0
 20 25  2  0  0  0  0
 21 22  1  0  0  0  0
 21 46  1  0  0  0  0
 21 49  1  0  0  0  0
 22 47  1  0  0  0  0
 22 48  1  0  0  0  0
 23 27  2  0  0  0  0
 23 50  1  0  0  0  0
 24 26  1  0  0  0  0
 24 28  2  0  0  0  0
 25 27  1  0  0  0  0
 26 29  2  0  0  0  0
 27 51  1  0  0  0  0
 28 30  1  0  0  0  0
 28 52  1  0  0  0  0
 29 31  1  0  0  0  0
 29 53  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
M  END

$$$$
D05ANV
  -OEChem-10101305022D

 33 34  0     0  0  0  0  0  0999 V2000
    3.7320    1.9806    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5411    2.5684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9230    2.5684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2320    3.5194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2320    3.5194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.9806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.4806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.5194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.0194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.0194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.0194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.0194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.5194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.5194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8511    2.0314    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1075    2.8205    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3566    2.8205    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6130    2.0314    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8385    3.6483    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1672    4.1360    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2969    4.1360    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6256    3.6483    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9441    0.3980    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3426    1.0882    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6540    1.0632    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2554    0.3729    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -0.7094    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -0.7094    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -2.3294    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -2.3294    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2460   -3.5194    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -4.1394    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4860   -3.5194    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  6  1  0  0  0  0
  2  4  1  0  0  0  0
  2 15  1  0  0  0  0
  2 16  1  0  0  0  0
  3  5  1  0  0  0  0
  3 17  1  0  0  0  0
  3 18  1  0  0  0  0
  4  5  1  0  0  0  0
  4 19  1  0  0  0  0
  4 20  1  0  0  0  0
  5 21  1  0  0  0  0
  5 22  1  0  0  0  0
  6  7  1  0  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 25  1  0  0  0  0
  7 26  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 27  1  0  0  0  0
 10 12  2  0  0  0  0
 10 28  1  0  0  0  0
 11 13  2  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
 13 14  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
M  END

$$$$
D05AOH
  -OEChem-10101305022D

 16 16  0     0  0  0  0  0  0999 V2000
    4.5981    1.7500    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    2.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.2500    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.2500    0.0000 N   0  3  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   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.2500    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
    4.5981   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951    0.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    0.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.8700    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
  1  2  2  0  0  0  0
  1  3  2  0  0  0  0
  1  7  1  0  0  0  0
  4  6  1  0  0  0  0
  5  6  2  0  0  0  0
  6  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 10  2  0  0  0  0
  8  9  2  0  0  0  0
  8 11  1  0  0  0  0
  9 13  1  0  0  0  0
 10 12  1  0  0  0  0
 10 14  1  0  0  0  0
 11 12  2  0  0  0  0
 11 15  1  0  0  0  0
 12 16  1  0  0  0  0
M  CHG  2   4  -1   6   1
M  END

$$$$
D05APC
  -OEChem-10101305022D

 26 26  0     1  0  0  0  0  0999 V2000
    4.2208   -0.6697    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4608   -0.3910    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7208    0.8691    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.0298   -0.0819    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.7208    0.8691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9809   -0.3910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4118   -0.0819    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3086    1.6781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1888   -1.3691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1399   -1.6781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3349    1.6265    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1628   -0.9215    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7856    1.4857    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1144    0.9980    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6005   -0.3693    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0672    0.2230    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8102    1.3137    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6730    2.1797    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8070    2.0426    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5692   -1.3908    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1025   -1.9831    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9483   -2.2678    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7295   -1.8697    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3315   -1.0885    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.0239    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3318   -0.9974    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  1  7  2  0  0  0  0
  2  7  1  0  0  0  0
  2 25  1  0  0  0  0
  2 26  1  0  0  0  0
  3  4  1  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  6  1  0  0  0  0
  4 12  1  0  0  0  0
  5  7  1  0  0  0  0
  5 13  1  0  0  0  0
  5 14  1  0  0  0  0
  6  9  1  0  0  0  0
  6 15  1  0  0  0  0
  6 16  1  0  0  0  0
  8 17  1  0  0  0  0
  8 18  1  0  0  0  0
  8 19  1  0  0  0  0
  9 10  1  0  0  0  0
  9 20  1  0  0  0  0
  9 21  1  0  0  0  0
 10 22  1  0  0  0  0
 10 23  1  0  0  0  0
 10 24  1  0  0  0  0
M  END

$$$$
D05APW
          06221000082D 1   1.00000     0.00000     0

 31 33  0     0  0            999 V2000
    0.9375    0.5042    0.0000 C   0  0  0  0  0  0           0  0  0
    0.9375   -0.2042    0.0000 C   0  0  0  0  0  0           0  0  0
    1.5495   -0.5583    0.0000 C   0  0  0  0  0  0           0  0  0
    1.5495    0.8583    0.0000 C   0  0  0  0  0  0           0  0  0
    2.1615    0.5042    0.0000 C   0  0  0  0  0  0           0  0  0
    2.1615   -0.2050    0.0000 C   0  0  0  0  0  0           0  0  0
    2.8360   -0.4243    0.0000 C   0  0  0  0  0  0           0  0  0
    3.2530    0.1495    0.0000 N   0  0  0  0  0  0           0  0  0
    2.8361    0.7232    0.0000 N   0  0  3  0  0  0           0  0  0
    2.8292    1.4333    0.0000 C   0  0  0  0  0  0           0  0  0
    1.5491   -1.2667    0.0000 N   0  0  0  0  0  0           0  0  0
    0.9355   -1.6205    0.0000 C   0  0  0  0  0  0           0  0  0
    0.9352   -2.3288    0.0000 O   0  0  0  0  0  0           0  0  0
    0.3223   -1.2660    0.0000 N   0  0  0  0  0  0           0  0  0
   -0.2913   -1.6199    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.9046   -1.2654    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.9022   -0.5586    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.5147   -0.2042    0.0000 C   0  0  0  0  0  0           0  0  0
   -2.1292   -0.5580    0.0000 C   0  0  0  0  0  0           0  0  0
   -2.1273   -1.2700    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.5143   -1.6213    0.0000 C   0  0  0  0  0  0           0  0  0
   -2.7429   -0.2044    0.0000 C   0  0  3  0  0  0           0  0  0
   -3.3561   -0.5590    0.0000 F   0  0  0  0  0  0           0  0  0
   -2.3958    0.4125    0.0000 F   0  0  0  0  0  0           0  0  0
   -3.1042    0.4125    0.0000 F   0  0  0  0  0  0           0  0  0
   -1.5114   -2.3296    0.0000 C   0  0  0  0  0  0           0  0  0
   -2.1234   -2.6862    0.0000 C   0  0  0  0  0  0           0  0  0
   -2.7383   -2.3346    0.0000 C   0  0  3  0  0  0           0  0  0
   -3.3502   -2.6912    0.0000 C   0  0  0  0  0  0           0  0  0
   -2.3917   -1.7167    0.0000 C   0  0  0  0  0  0           0  0  0
   -3.1000   -1.7167    0.0000 C   0  0  0  0  0  0           0  0  0
 14 15  1  0     0  0
 15 16  1  0     0  0
  1  2  1  0     0  0
 16 17  2  0     0  0
  1  4  2  0     0  0
 17 18  1  0     0  0
  6  7  1  0     0  0
 18 19  2  0     0  0
  7  8  2  0     0  0
 19 20  1  0     0  0
  8  9  1  0     0  0
 20 21  2  0     0  0
 21 16  1  0     0  0
  9  5  1  0     0  0
 19 22  1  0     0  0
  2  3  2  0     0  0
 22 23  1  0     0  0
  9 10  1  0     0  0
 22 24  1  0     0  0
  3  6  1  0     0  0
 22 25  1  0     0  0
  3 11  1  0     0  0
 21 26  1  0     0  0
  5  4  1  0     0  0
 26 27  1  0     0  0
 11 12  1  0     0  0
 27 28  1  0     0  0
  5  6  2  0     0  0
 28 29  1  0     0  0
 12 13  2  0     0  0
 28 30  1  0     0  0
 28 31  1  0     0  0
 12 14  1  0     0  0
M  END

$$$$
D05APZ
  -OEChem-04152109432D

 71 78  0     0  0  0  0  0  0999 V2000
    6.2030    3.6555    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4352    0.3894    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4467    3.3894    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9526    4.9172    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.7938   -2.1101    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.7938   -4.1794    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.3660   -2.3400    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.3660   -3.9495    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4429    2.3894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5749    1.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3070    1.8860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5711    0.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.4313   -0.6106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 35 36  1  0  0  0  0
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 38 40  2  0  0  0  0
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 39 41  2  0  0  0  0
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 40 41  1  0  0  0  0
 40 69  1  0  0  0  0
 41 70  1  0  0  0  0
 42 71  1  0  0  0  0
M  END

$$$$
D05ARF
  -OEChem-10101305032D

 32 34  0     0  0  0  0  0  0999 V2000
    6.0174   -0.0724    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.9350    1.4414    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0290    2.9968    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    1.4622    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    6.8660   -1.5823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    2.4622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  7  8  1  0  0  0  0
  7 10  1  0  0  0  0
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 10 12  2  0  0  0  0
 11 23  1  0  0  0  0
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 13 16  1  0  0  0  0
 13 25  1  0  0  0  0
 14 17  2  0  0  0  0
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 16 19  2  0  0  0  0
 16 28  1  0  0  0  0
 17 19  1  0  0  0  0
 17 29  1  0  0  0  0
 18 27  1  0  0  0  0
 19 30  1  0  0  0  0
M  END

$$$$
D05ARI
  -OEChem-10101305022D

 30 31  0     1  0  0  0  0  0999 V2000
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  1 21  1  0  0  0  0
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  2 25  1  0  0  0  0
  3 11  2  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4 14  1  0  0  0  0
  5  7  1  0  0  0  0
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  7  9  1  0  0  0  0
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 10 12  1  0  0  0  0
 10 22  1  0  0  0  0
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 11 24  1  0  0  0  0
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 13 28  1  0  0  0  0
 13 29  1  0  0  0  0
 13 30  1  0  0  0  0
M  END

$$$$
D05AVX
  -OEChem-10101305032D

 21 20  0     0  0  0  0  0  0999 V2000
    5.4641   -1.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.3301    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  7  2  0  0  0  0
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  3  4  1  0  0  0  0
  3  5  1  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 12  1  0  0  0  0
  4 13  1  0  0  0  0
  5  7  1  0  0  0  0
  5 14  1  0  0  0  0
  5 15  1  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  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 19  1  0  0  0  0
  9 20  1  0  0  0  0
  9 21  1  0  0  0  0
M  END

$$$$
D05AZU
  -OEChem-10101305022D

 30 31  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
    6.0010    0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    5.1350    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.6720   -2.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    1.6300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    8.2700    2.4400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0000   -0.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1 30  1  0  0  0  0
  2 10  2  0  0  0  0
  3  6  1  0  0  0  0
  3 10  1  0  0  0  0
  3 20  1  0  0  0  0
  4  8  1  0  0  0  0
  4 10  1  0  0  0  0
  4 22  1  0  0  0  0
  5 19  3  0  0  0  0
  6  7  2  0  0  0  0
  6  9  1  0  0  0  0
  7 11  1  0  0  0  0
  8 14  2  0  0  0  0
  8 15  1  0  0  0  0
  9 12  2  0  0  0  0
  9 21  1  0  0  0  0
 11 13  2  0  0  0  0
 11 23  1  0  0  0  0
 12 13  1  0  0  0  0
 12 24  1  0  0  0  0
 13 19  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 27  1  0  0  0  0
 17 18  1  0  0  0  0
 17 28  1  0  0  0  0
 18 29  1  0  0  0  0
M  END

$$$$
D05AZW
  -OEChem-10101305032D

 71 77  0     1  0  0  0  0  0999 V2000
    5.0805    4.0694    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0291    0.5841    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.9330   -3.9975    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.3106    0.9614    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    7.4372    2.8967    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 15  1  0  0  0  0
  2 22  1  0  0  0  0
  2 30  1  0  0  0  0
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  3 31  1  0  0  0  0
  4 23  2  0  0  0  0
  5 30  2  0  0  0  0
  6 35  1  0  0  0  0
  6 38  1  0  0  0  0
  7 37  1  0  0  0  0
  7 39  1  0  0  0  0
  8 12  1  0  0  0  0
  8 15  1  0  0  0  0
  8 19  1  0  0  0  0
 11  9  1  6  0  0  0
  9 21  1  0  0  0  0
  9 47  1  0  0  0  0
 10 11  1  0  0  0  0
 10 13  1  0  0  0  0
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 10 18  1  1  0  0  0
 11 12  1  0  0  0  0
 12 17  1  0  0  0  0
 12 40  1  6  0  0  0
 13 16  1  0  0  0  0
 13 22  1  1  0  0  0
 13 23  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 43  1  1  0  0  0
 16 17  1  0  0  0  0
 16 20  1  0  0  0  0
 16 44  1  1  0  0  0
 17 45  1  0  0  0  0
 17 46  1  0  0  0  0
 18 21  1  0  0  0  0
 18 24  2  0  0  0  0
 19 20  1  0  0  0  0
 19 48  1  0  0  0  0
 19 49  1  0  0  0  0
 20 25  2  0  0  0  0
 21 26  2  0  0  0  0
 22 50  1  0  0  0  0
 22 51  1  0  0  0  0
 24 27  1  0  0  0  0
 24 52  1  0  0  0  0
 25 29  1  0  0  0  0
 25 53  1  0  0  0  0
 26 28  1  0  0  0  0
 26 54  1  0  0  0  0
 27 28  2  0  0  0  0
 27 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
 30 32  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 34  1  0  0  0  0
 33 35  1  0  0  0  0
 33 63  1  0  0  0  0
 34 36  2  0  0  0  0
 34 64  1  0  0  0  0
 35 37  2  0  0  0  0
 36 37  1  0  0  0  0
 36 65  1  0  0  0  0
 38 66  1  0  0  0  0
 38 67  1  0  0  0  0
 38 68  1  0  0  0  0
 39 69  1  0  0  0  0
 39 70  1  0  0  0  0
 39 71  1  0  0  0  0
M  END

$$$$
D05BCF
  -OEChem-10101305022D

 23 23  0     1  0  0  0  0  0999 V2000
    6.2612   -2.1610    0.0000 K   0  3  0  0  0  0  0  0  0  0  0  0
    4.6650    1.5671    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.4547    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9521   -1.2099    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    4.3049   -1.7452    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7528    1.6241    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7139    0.2580    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7139    1.2580    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.6650   -0.0510    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.7056    1.2622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7056    0.2539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2528    0.7580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9740   -1.0020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2528    0.7580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7528    1.6241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5827    2.0979    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  2  8  1  0  0  0  0
  2 12  1  0  0  0  0
  3 11  2  0  0  0  0
  4 13  1  0  0  0  0
  5 13  2  0  0  0  0
  6 15  1  0  0  0  0
  6 23  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
  8 10  1  0  0  0  0
  8 16  1  6  0  0  0
  9 12  1  0  0  0  0
  9 13  1  6  0  0  0
  9 17  1  0  0  0  0
 10 11  1  0  0  0  0
 10 18  1  0  0  0  0
 10 19  1  0  0  0  0
 12 14  2  0  0  0  0
 14 15  1  0  0  0  0
 14 20  1  0  0  0  0
 15 21  1  0  0  0  0
 15 22  1  0  0  0  0
M  CHG  2   1   1   4  -1
M  END

$$$$
D05BCJ
  -OEChem-10101305022D

 38 40  0     0  0  0  0  0  0999 V2000
    4.5981   -0.7694    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.2306    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7320    0.7306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.7306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.2694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.5981   -1.7694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4071    2.8184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7891    2.8184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.2694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0981    3.7694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8660   -1.7694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.2694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 16 36  1  0  0  0  0
 17 18  1  0  0  0  0
 17 37  1  0  0  0  0
 18 38  1  0  0  0  0
M  END

$$$$
D05BCY
  -OEChem-10101305022D

 54 57  0     1  0  0  0  0  0999 V2000
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 21 24  1  6  0  0  0
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 25 28  2  0  0  0  0
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 27 51  1  0  0  0  0
 27 52  1  0  0  0  0
 27 53  1  0  0  0  0
 28 54  1  0  0  0  0
M  END

$$$$
D05BEL
  -OEChem-10191522302D

 24 25  0     1  0  0  0  0  0999 V2000
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 12 22  1  0  0  0  0
 12 23  1  0  0  0  0
 12 24  1  0  0  0  0
M  END

$$$$
D05BFC
  -OEChem-04152109242D

 46 47  0     0  0  0  0  0  0999 V2000
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 30 31  1  0  0  0  0
 31 38  1  0  0  0  0
 31 39  1  0  0  0  0
 31 40  1  0  0  0  0
 32 41  1  0  0  0  0
M  END

$$$$
D05BGM
  -OEChem-10101305022D

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 46 80  1  0  0  0  0
M  END

$$$$
D05BHG
  -OEChem-04152109122D

 22 21  0     1  0  0  0  0  0999 V2000
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  1  2  1  0  0  0  0
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 10  8  1  1  0  0  0
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  9 13  1  0  0  0  0
 10 12  1  0  0  0  0
 10 14  1  0  0  0  0
 11 15  1  0  0  0  0
 11 16  1  0  0  0  0
 11 17  1  0  0  0  0
M  END

$$$$
D05BHL
  -OEChem-10101305022D

145149  0     1  0  0  0  0  0999 V2000
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M  END

$$$$
D05BIJ
  -OEChem-10101305032D

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 10 12  1  0  0  0  0
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 15 27  1  0  0  0  0
 15 28  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
M  END

$$$$
D05BJY
  -OEChem-10191521352D

 70 76  0     1  0  0  0  0  0999 V2000
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 39 40  1  0  0  0  0
 39 69  1  0  0  0  0
 40 70  1  0  0  0  0
M  END

$$$$
D05BKG
  -OEChem-10191521392D

 45 47  0     1  0  0  0  0  0999 V2000
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 13  3  1  6  0  0  0
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 22 39  1  0  0  0  0
 22 40  1  0  0  0  0
 24 42  1  0  0  0  0
M  CHG  1   1   1
M  END

$$$$
D05BMA
  -OEChem-10101305022D

 55 56  0     1  0  0  0  0  0999 V2000
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    5.4114    3.7390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.1993   -1.5986    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0758   -0.3173    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    1.5950   -1.9618    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.7882   -3.0530    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6997   -3.7112    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0727   -3.5978    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4903   -4.7751    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0084    0.5490    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7243   -5.1783    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4428   -4.3803    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2793   -6.3198    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    1.8084   -4.9093    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    6.2774    5.8590    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.5454    5.8590    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  2  0  0  0  0
  2 14  2  0  0  0  0
  3  8  1  0  0  0  0
  3 11  1  0  0  0  0
  3 12  1  0  0  0  0
  4 14  1  0  0  0  0
  4 19  1  0  0  0  0
  4 38  1  0  0  0  0
 13  5  1  6  0  0  0
  5 39  1  0  0  0  0
  5 40  1  0  0  0  0
  6 26  1  0  0  0  0
  6 53  1  0  0  0  0
  6 54  1  0  0  0  0
  7 26  2  0  0  0  0
  7 55  1  0  0  0  0
  8  9  1  0  0  0  0
  8 14  1  1  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 11  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 13  1  0  0  0  0
 13 15  1  0  0  0  0
 13 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 17  1  0  0  0  0
 16 18  1  0  0  0  0
 16 37  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 41  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
 19 47  1  0  0  0  0
 19 48  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 49  1  0  0  0  0
 22 24  2  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 26  1  0  0  0  0
M  END

$$$$
D05BMD
  -OEChem-10101305022D

 26 26  0     0  0  0  0  0  0999 V2000
    2.8660   -4.4050    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.0950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    3.0950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    4.0950    0.0000 O   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
    5.4641    3.0950    0.0000 N   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   -0.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.9050    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    1.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.4050    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
    2.6540    0.1776    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2554   -0.5127    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -1.5950    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -1.5950    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8101    1.0124    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2087    1.7027    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -3.2150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -3.2150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951    1.4050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    2.7850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    4.4050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 14  1  0  0  0  0
  2  5  1  0  0  0  0
  2  8  1  0  0  0  0
  3 15  2  0  0  0  0
  4  6  1  0  0  0  0
  4 26  1  0  0  0  0
  5 11  1  0  0  0  0
  5 24  1  0  0  0  0
  6 15  1  0  0  0  0
  6 25  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  2  0  0  0  0
  7 10  1  0  0  0  0
  8 16  1  0  0  0  0
  8 17  1  0  0  0  0
  9 12  1  0  0  0  0
  9 18  1  0  0  0  0
 10 13  2  0  0  0  0
 10 19  1  0  0  0  0
 11 15  1  0  0  0  0
 11 20  1  0  0  0  0
 11 21  1  0  0  0  0
 12 14  2  0  0  0  0
 12 22  1  0  0  0  0
 13 14  1  0  0  0  0
 13 23  1  0  0  0  0
M  END

$$$$
D05BMP
  -OEChem-10101305022D

 31 34  0     0  0  0  0  0  0999 V2000
    6.1871   -0.6480    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.8090   -0.9268    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.3781    2.9398    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8781   -1.5990    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3090    0.6121    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4659   -2.4081    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3781    0.9398    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2441    1.4398    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3781   -0.0602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2441    2.4398    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5691   -0.6480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5121    1.4398    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1381    0.9051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1381    2.9745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6180   -0.3390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5121    2.4398    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8781   -1.5990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0441    1.4190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0441    2.4606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.3390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3090    0.6121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9752    1.1298    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1309    0.2852    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1309    3.5944    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9752    2.7498    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5799    1.1069    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5799    2.7727    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2137   -2.9745    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0825   -2.3432    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4103   -0.5306    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9446    1.1137    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  1 17  1  0  0  0  0
  2 15  1  0  0  0  0
  2 20  1  0  0  0  0
  3 10  1  0  0  0  0
  3 16  2  0  0  0  0
  4 11  1  0  0  0  0
  4 17  2  0  0  0  0
  5 15  2  0  0  0  0
  5 21  1  0  0  0  0
  6 17  1  0  0  0  0
  6 28  1  0  0  0  0
  6 29  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 12  2  0  0  0  0
  8 10  1  0  0  0  0
  8 13  2  0  0  0  0
  9 11  2  0  0  0  0
 10 14  2  0  0  0  0
 11 15  1  0  0  0  0
 12 16  1  0  0  0  0
 12 22  1  0  0  0  0
 13 18  1  0  0  0  0
 13 23  1  0  0  0  0
 14 19  1  0  0  0  0
 14 24  1  0  0  0  0
 16 25  1  0  0  0  0
 18 19  2  0  0  0  0
 18 26  1  0  0  0  0
 19 27  1  0  0  0  0
 20 21  2  0  0  0  0
 20 30  1  0  0  0  0
 21 31  1  0  0  0  0
M  END

$$$$
D05BOD
  -OEChem-10111523062D

 24 25  0     1  0  0  0  0  0999 V2000
    4.7020   -1.7089    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0850   -2.3296    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5788   -1.2482    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0880    0.3811    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.3468    1.3470    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.3560   -0.6189    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.6102    2.3296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8560    0.2471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9200   -0.3777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1788    0.5882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7143   -1.5525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1286   -0.2376    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3540    0.7271    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9280    2.8620    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9971    2.4216    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5853    0.8049    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3082   -0.0434    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7079   -0.9603    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5113   -0.5642    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7701    0.4018    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3908    1.1708    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.0260    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6758   -1.8606    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9242   -2.2877    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  0  0  0  0
  1 24  1  0  0  0  0
  2 11  2  0  0  0  0
  3  6  1  0  0  0  0
  3 22  1  0  0  0  0
  3 23  1  0  0  0  0
  4  6  1  0  0  0  0
  4  7  1  0  0  0  0
  4  9  1  0  0  0  0
  4 12  1  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
  5 13  1  0  0  0  0
  6  8  1  0  0  0  0
  6 11  1  0  0  0  0
  7 14  1  0  0  0  0
  7 15  1  0  0  0  0
  8 16  1  0  0  0  0
  8 17  1  0  0  0  0
  9 10  1  0  0  0  0
  9 18  1  0  0  0  0
  9 19  1  0  0  0  0
 10 20  1  0  0  0  0
 10 21  1  0  0  0  0
M  END

$$$$
D05BPM
  -OEChem-10101305032D

 30 31  0     0  0  0  0  0  0999 V2000
    6.3301   -3.0000    0.0000 F   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    0.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.5000    0.0000 N   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    3.0000    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   -1.0000    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
    4.5981    0.0000    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
    6.3301    3.0000    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
    5.4641   -1.5000    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
    3.7320   -2.5000    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   -3.0000    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
    4.0611    1.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    0.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    1.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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 16 19  1  0  0  0  0
 17 18  2  0  0  0  0
 18 30  1  0  0  0  0
M  END

$$$$
D05BPX
  -OEChem-04152110062D

 37 40  0     0  0  0  0  0  0999 V2000
    7.2764   -0.7097    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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 20 22  2  0  0  0  0
 21 22  1  0  0  0  0
 21 35  1  0  0  0  0
 22 36  1  0  0  0  0
M  END

$$$$
D05BQE
  -OEChem-10101305032D

 67 71  0     1  0  0  0  0  0999 V2000
   14.7273    0.0211    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
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 40 55  1  0  0  0  0
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 41 60  1  0  0  0  0
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 42 45  2  0  0  0  0
 43 44  1  0  0  0  0
 43 46  1  0  0  0  0
 45 63  1  0  0  0  0
M  END

$$$$
D05BTF
  -OEChem-10101305022D

 77 76  0     0  0  0  0  0  0999 V2000
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 19 26  1  0  0  0  0
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 23 64  1  0  0  0  0
 23 65  1  0  0  0  0
 24 28  1  0  0  0  0
 24 29  1  0  0  0  0
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 25 27  1  0  0  0  0
 25 66  1  0  0  0  0
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 28 75  1  0  0  0  0
 28 76  1  0  0  0  0
 28 77  1  0  0  0  0
 29 72  1  0  0  0  0
 29 73  1  0  0  0  0
 29 74  1  0  0  0  0
 30 69  1  0  0  0  0
 30 70  1  0  0  0  0
 30 71  1  0  0  0  0
M  END

$$$$
D05BTG
  -OEChem-10101305022D

 45 48  0     1  0  0  0  0  0999 V2000
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 20 43  1  0  0  0  0
 21 44  1  0  0  0  0
 22 45  1  0  0  0  0
M  END

$$$$
D05BUX
  -OEChem-10101305032D

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 21 23  1  0  0  0  0
 23 45  1  0  0  0  0
 23 46  1  0  0  0  0
 23 47  1  0  0  0  0
M  END

$$$$
D05BYD
  -OEChem-10191521352D

 55 57  0     1  0  0  0  0  0999 V2000
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 25 50  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
M  END

$$$$
D05BZQ
  -OEChem-10101305022D

 60 63  0     1  0  0  0  0  0999 V2000
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 20  2  1  1  0  0  0
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 21 24  1  6  0  0  0
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 25 30  1  0  0  0  0
 25 50  1  0  0  0  0
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 27 53  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
 30 58  1  0  0  0  0
 30 59  1  0  0  0  0
 30 60  1  0  0  0  0
M  END

$$$$
D05CBG
  -OEChem-10101305022D

 21 22  0     0  0  0  0  0  0999 V2000
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 10 17  1  0  0  0  0
 11 18  1  0  0  0  0
 12 19  1  0  0  0  0
M  END

$$$$
D05CCF
  -OEChem-10101305022D

 31 32  0     0  0  0  0  0  0999 V2000
    6.0010   -2.5000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -0.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    0.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -4.0000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    5.1350   -4.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    2.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -3.5000    0.0000 N   0  3  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   -1.0000    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
    4.2690   -2.5000    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
    5.1350   -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
    5.1350    1.0000    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    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    2.5000    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
    7.7331    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6720   -0.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.3100    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
    4.5981    2.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    1.3800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    3.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2700    2.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    4.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2700    3.8100    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
  1 14  1  0  0  0  0
  2 10  1  0  0  0  0
  2 31  1  0  0  0  0
  3 16  2  0  0  0  0
  4  8  1  0  0  0  0
  5  8  2  0  0  0  0
  6  9  1  0  0  0  0
  6 16  1  0  0  0  0
  6 24  1  0  0  0  0
  7 15  1  0  0  0  0
  7 16  1  0  0  0  0
  7 25  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
 10 13  2  0  0  0  0
 11 14  1  0  0  0  0
 11 22  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  2  0  0  0  0
 13 23  1  0  0  0  0
 15 17  2  0  0  0  0
 15 18  1  0  0  0  0
 17 19  1  0  0  0  0
 17 26  1  0  0  0  0
 18 20  2  0  0  0  0
 18 27  1  0  0  0  0
 19 21  2  0  0  0  0
 19 28  1  0  0  0  0
 20 21  1  0  0  0  0
 20 29  1  0  0  0  0
 21 30  1  0  0  0  0
M  CHG  2   4  -1   8   1
M  END

$$$$
D05CCT
  -OEChem-10101305022D

 38 40  0     0  0  0  0  0  0999 V2000
    6.3981    0.5053    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    9.9282    0.5294    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    2.8680    0.5294    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981   -1.4947    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641    0.0053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5320    0.0053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641   -0.9947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5320   -0.9947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0641    0.0261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.0261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1580    0.5399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6381    0.5399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1580   -1.5294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6381   -1.5294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0641   -1.0156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.0156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7961    0.0328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9243    1.5294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.0328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8718    1.5294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1509    1.1599    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6453    1.1599    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1509   -2.1494    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6453   -2.1494    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5998   -1.3276    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1963   -1.3276    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5443    1.5318    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9220    2.1494    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3044    1.5270    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4882   -0.5054    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3343   -0.2752    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1041    0.5709    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4918    1.5270    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8742    2.1494    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2518    1.5318    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6921    0.5709    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4619   -0.2752    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3079   -0.5054    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1  6  1  0  0  0  0
  2  9  2  0  0  0  0
  2 17  1  0  0  0  0
  2 18  1  0  0  0  0
  3 10  1  0  0  0  0
  3 19  1  0  0  0  0
  3 20  1  0  0  0  0
  4  7  2  0  0  0  0
  4  8  1  0  0  0  0
  5  7  1  0  0  0  0
  5 11  2  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 11  1  0  0  0  0
  9 15  1  0  0  0  0
 10 12  2  0  0  0  0
 10 16  1  0  0  0  0
 11 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 16  2  0  0  0  0
 14 24  1  0  0  0  0
 15 25  1  0  0  0  0
 16 26  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 27  1  0  0  0  0
 18 28  1  0  0  0  0
 18 29  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 33  1  0  0  0  0
 20 34  1  0  0  0  0
 20 35  1  0  0  0  0
M  CHG  1   2   1
M  END

$$$$
D05CDC
  -OEChem-10191522022D

108113  0     1  0  0  0  0  0999 V2000
   11.7815    2.4197    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9892   -0.6431    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3912    1.8568    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1232    2.8568    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4396    1.4139    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1413    0.8297    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7376    3.3982    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1666   -2.6124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.1988    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0057    3.3848    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0904    3.5626    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3912    2.8568    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7079    1.4473    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2672   -4.3568    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5070    0.2562    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.3012    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2572    0.3569    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.1232   -0.1431    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.9892    1.3568    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.9892    0.3569    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.3472   -0.1500    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.3392   -1.1916    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.8832    1.8915    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.2572    1.3568    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.1232    1.8568    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.1393   -1.1846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2412   -1.7124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7892    1.3777    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.4037   -1.7413    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.4204    0.4141    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.8832   -0.1778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.1988    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.4725   -0.1139    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.3912    0.8569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9892    2.3568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7892    0.3360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3314   -2.1916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8755    2.8915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.6988    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.4761   -1.5942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5553   -2.7946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6533   -0.1673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.3012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8283   -3.5718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7484    2.6229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2572    3.3568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5834    1.9305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7672   -3.4908    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1586    1.0148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6075    2.9048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8086    2.9649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2572    4.3568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.6988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1002    2.8060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8275    1.9583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.1988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8626   -0.5625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3636    0.6999    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7202    1.0468    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5863    2.1668    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3573   -1.7650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7484   -1.0692    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8439   -2.1884    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6422   -2.1853    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.6392    1.3808    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1697   -2.1097    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8889    0.7334    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4786   -0.6476    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2768   -0.6568    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8609   -0.2156    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7012    1.3938    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8542    1.1668    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0812    0.3199    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6092    2.3568    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9892    2.9769    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3692    2.3568    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7115   -2.1868    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3267   -2.8115    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9514   -2.1963    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5262   -0.9531    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.3188    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3802   -0.9817    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8577   -1.5510    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1467   -2.9806    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.6510   -0.7873    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.1915    0.1406    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2181    0.3012    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.9212    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9781    0.3012    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0533   -4.1495    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.3016    2.3655    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.1468    2.5990    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.9133    3.4442    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0207    3.5475    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2260    3.1770    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5966    2.3823    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    8.2572    4.9768    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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 20  2  1  6  0  0  0
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 54101  1  0  0  0  0
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 56106  1  0  0  0  0
 56107  1  0  0  0  0
 56108  1  0  0  0  0
M  END

$$$$
D05CEJ
  -OEChem-10101305022D

 44 47  0     0  0  0  0  0  0999 V2000
    2.0000   -3.2500    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    9.7942   -1.7500    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
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   10.6603   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.6603   -3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5263   -1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.5263   -2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.0632   -3.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1 28  1  0  0  0  0
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 26 28  2  0  0  0  0
 26 43  1  0  0  0  0
 27 28  1  0  0  0  0
 27 44  1  0  0  0  0
M  END

$$$$
D05CEM
  -OEChem-10191522302D

 57 59  0     0  0  0  0  0  0999 V2000
    4.5981    4.2500    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.2500    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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    3.7320    1.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.3629    1.2445    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.8410    0.5864    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   12.3923   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.2583    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.1719   -0.1567    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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    4.5981    3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3410    1.4524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.2617   -0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   11.9938   -0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.7908   -0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   14.3008   -0.7632    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
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 10 28  1  0  0  0  0
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 13 16  1  0  0  0  0
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 14 40  1  0  0  0  0
 15 22  1  0  0  0  0
 16 23  2  0  0  0  0
 16 24  1  0  0  0  0
 17 18  1  0  0  0  0
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 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 21  1  0  0  0  0
 19 45  1  0  0  0  0
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 21 28  2  0  0  0  0
 22 27  2  0  0  0  0
 22 49  1  0  0  0  0
 23 25  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
 25 29  2  0  0  0  0
 26 29  1  0  0  0  0
 26 52  1  0  0  0  0
 27 31  1  0  0  0  0
 27 54  1  0  0  0  0
 28 55  1  0  0  0  0
 30 31  2  0  0  0  0
 30 56  1  0  0  0  0
 32 57  1  0  0  0  0
M  END

$$$$
D05CGI
  -OEChem-10101305022D

 50 53  0     1  0  0  0  0  0999 V2000
    9.7942    1.4827    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942   -1.5173    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    0.9827    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.0173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.9827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.5173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.1962   -0.0173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    1.4827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.5173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    0.9827    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.9282   -0.0173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.0173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942   -0.5173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603    0.9827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603   -0.0173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.9827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.5173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5542    1.5173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5542   -0.5520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.4827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.0173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.9827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4603    1.0035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4603   -0.0381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.6373    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2520    1.5653    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8535    0.8750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9316   -0.9923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7287   -0.9923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    5.9316    1.9576    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4082   -0.5999    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8067    0.0903    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4607    1.9576    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6636    1.9576    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.9966   -0.9923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    8.3176    0.0903    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7162   -0.5999    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    1.2927    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.1373    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5470    2.1373    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5470   -1.1720    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    2.1027    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -0.3273    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    1.2927    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.9960    1.3156    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.9960   -0.3502    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  0  0  0  0
  1 15  1  0  0  0  0
  2 14  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  3  9  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4 10  1  0  0  0  0
  4 26  1  0  0  0  0
  5  7  1  0  0  0  0
  5 27  1  0  0  0  0
  5 28  1  0  0  0  0
  6  8  1  0  0  0  0
  6 29  1  0  0  0  0
  6 30  1  0  0  0  0
  7 31  1  0  0  0  0
  7 32  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 13  1  0  0  0  0
 10 37  1  0  0  0  0
 10 38  1  0  0  0  0
 11 12  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 17  2  0  0  0  0
 13 18  1  0  0  0  0
 14 16  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 21  1  0  0  0  0
 17 42  1  0  0  0  0
 18 22  2  0  0  0  0
 18 43  1  0  0  0  0
 19 24  1  0  0  0  0
 19 44  1  0  0  0  0
 20 25  1  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
 24 25  2  0  0  0  0
 24 49  1  0  0  0  0
 25 50  1  0  0  0  0
M  END

$$$$
D05CLM
  -OEChem-10101305032D

 68 69  0     0  0  0  0  0  0999 V2000
    9.7942    2.9400    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.0600    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -6.0600    0.0000 F   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
   10.6603    5.4400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    5.4400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.5600    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
    4.5981    0.9400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    2.9400    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
    6.3301    0.9400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    3.9400    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
    5.4641   -1.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    4.4400    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
    7.1962    2.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942    3.9400    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
    8.9282    1.4400    0.0000 C   0  0  0  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
    4.5981   -3.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7942    3.9400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7942    3.9400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942    4.9400    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
    5.4641   -3.5600    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
    5.4641   -4.5600    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
    5.2087    0.8323    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8101    1.5226    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1215    1.5477    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5200    0.8574    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9875    0.0477    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3860   -0.6426    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3426    2.3323    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9441    3.0226    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2554    3.0477    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6540    2.3574    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5422   -0.6426    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9407    0.0477    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1181    1.5226    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7196    0.8323    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4766    3.8323    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0781    4.5226    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100    4.9769    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    4.7500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900    3.9031    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    0.3200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6592    2.7500    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
    9.4651    1.1300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    3.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7942    3.3200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4142    3.9400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7942    4.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7942    4.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1742    3.9400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7942    3.3200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -3.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951   -4.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -4.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603    6.0600    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 30  1  0  0  0  0
  3 34  1  0  0  0  0
  4 18  2  0  0  0  0
  5 29  1  0  0  0  0
  5 68  1  0  0  0  0
  6 29  2  0  0  0  0
  7 11  1  0  0  0  0
  7 14  1  0  0  0  0
  7 18  1  0  0  0  0
  8 18  1  0  0  0  0
  8 26  1  0  0  0  0
  8 56  1  0  0  0  0
  9 10  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 12  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  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 43  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 17  1  0  0  0  0
 15 47  1  0  0  0  0
 15 48  1  0  0  0  0
 16 19  1  0  0  0  0
 16 49  1  0  0  0  0
 16 50  1  0  0  0  0
 17 20  2  0  0  0  0
 17 21  1  0  0  0  0
 19 51  1  0  0  0  0
 19 52  1  0  0  0  0
 19 53  1  0  0  0  0
 20 24  1  0  0  0  0
 20 54  1  0  0  0  0
 21 25  2  0  0  0  0
 21 55  1  0  0  0  0
 22 27  1  0  0  0  0
 22 28  1  0  0  0  0
 22 29  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
 24 57  1  0  0  0  0
 25 58  1  0  0  0  0
 26 30  2  0  0  0  0
 26 31  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
 30 32  1  0  0  0  0
 31 33  2  0  0  0  0
 31 65  1  0  0  0  0
 32 34  2  0  0  0  0
 32 66  1  0  0  0  0
 33 34  1  0  0  0  0
 33 67  1  0  0  0  0
M  END

$$$$
D05CND
  -OEChem-10101305022D

 27 29  0     0  0  0  0  0  0999 V2000
    9.0084   -0.2518    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   10.5920    0.5530    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.4470    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.8660    1.0530    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0084    1.3577    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.0530    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    6.3301    0.0530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    1.0530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.4470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    0.0530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -0.4470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    1.0530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    1.5530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.0530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.4470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.4470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5920    0.5530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.9470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.4470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -1.0670    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7932    1.3630    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    2.1730    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.6730    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2010    1.9470    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -1.7570    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.5670    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951   -1.7570    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
  1 17  1  0  0  0  0
  2 17  2  0  0  0  0
  3  6  1  0  0  0  0
  4  6  2  0  0  0  0
  5  8  1  0  0  0  0
  5 17  1  0  0  0  0
  5 24  1  0  0  0  0
  6 16  1  0  0  0  0
  7  9  1  0  0  0  0
  7 11  2  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 14  2  0  0  0  0
  9 15  1  0  0  0  0
 10 11  1  0  0  0  0
 11 20  1  0  0  0  0
 12 13  2  0  0  0  0
 12 21  1  0  0  0  0
 13 22  1  0  0  0  0
 14 16  1  0  0  0  0
 14 23  1  0  0  0  0
 15 18  2  0  0  0  0
 15 25  1  0  0  0  0
 16 19  2  0  0  0  0
 18 19  1  0  0  0  0
 18 26  1  0  0  0  0
 19 27  1  0  0  0  0
M  CHG  2   3  -1   6   1
M  END

$$$$
D05CNT
  -OEChem-10191521422D

 69 69  0     1  0  0  0  0  0999 V2000
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   11.0588    3.7250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2617    3.7250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   10.1928    2.2750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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 30 32  1  0  0  0  0
 30 66  1  0  0  0  0
 31 32  2  0  0  0  0
 31 67  1  0  0  0  0
 32 68  1  0  0  0  0
M  END

$$$$
D05COL
  -OEChem-10101305022D

 54 57  0     1  0  0  0  0  0999 V2000
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   10.6195    0.0635    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 27 53  1  0  0  0  0
 28 54  1  0  0  0  0
M  END

$$$$
D05COQ
  -OEChem-10101305022D

137141  0     1  0  0  0  0  0999 V2000
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 72137  1  0  0  0  0
M  END

$$$$
D05CQR
  -OEChem-10101305022D

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  1 12  1  0  0  0  0
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 14 15  2  0  0  0  0
 14 22  1  0  0  0  0
 15 23  1  0  0  0  0
M  END

$$$$
D05CRC
  -OEChem-10101305032D

 65 68  0     1  0  0  0  0  0999 V2000
    9.7942    0.0000    0.0000 O   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
    3.7320    1.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.0000    0.0000 C   0  0  3  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    0.0000    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    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
    2.8660    2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.4641   -1.5000    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
    2.8660    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0000    4.5000    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
    5.7932   -0.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0747    1.3923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6762    2.0826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1996   -0.4749    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9966   -0.4749    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    3.5200   -0.0826    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
    4.9272   -1.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331   -1.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9272   -2.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331   -2.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -0.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6592    1.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7101   -5.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    1.4631    4.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    5.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3312    0.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 24  1  0  0  0  0
  1 65  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  3 10  1  0  0  0  0
  4  9  1  0  0  0  0
  4 11  1  0  0  0  0
  4 32  1  0  0  0  0
  5  7  1  0  0  0  0
  5 33  1  0  0  0  0
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  6  8  1  0  0  0  0
  6 35  1  0  0  0  0
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  7 38  1  0  0  0  0
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  8 40  1  0  0  0  0
  9 14  2  0  0  0  0
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 29 31  2  0  0  0  0
 29 62  1  0  0  0  0
 30 31  1  0  0  0  0
 30 63  1  0  0  0  0
 31 64  1  0  0  0  0
M  END

$$$$
D05CRG
  -OEChem-10101305032D

 83 87  0     1  0  0  0  0  0999 V2000
    4.2690   -3.6018    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.3982    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -0.6018    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    1.8982    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    0.3982    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -2.1018    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.8080    0.5961    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -5.6018    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    5.9440    4.4860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    3.3982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    3.3982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 39 40  1  0  0  0  0
 39 78  1  0  0  0  0
 39 79  1  0  0  0  0
 40 80  1  0  0  0  0
 40 81  1  0  0  0  0
M  END

$$$$
D05CRM
  -OEChem-10101305022D

 33 34  0     1  0  0  0  0  0999 V2000
    5.4641   -1.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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    4.0981   -1.3660    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -4.5000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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  1  9  1  0  0  0  0
  2  9  1  0  0  0  0
  3  9  1  0  0  0  0
  4 21  1  0  0  0  0
  5  8  1  0  0  0  0
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  7 10  1  0  0  0  0
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  8  9  1  0  0  0  0
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 10 12  1  0  0  0  0
 11 13  2  0  0  0  0
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 15 19  1  0  0  0  0
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 20 22  1  0  0  0  0
 20 32  1  0  0  0  0
 22 33  1  0  0  0  0
M  END

$$$$
D05CWG
  -OEChem-04152110122D

 67 69  0     1  0  0  0  0  0999 V2000
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 27 53  1  0  0  0  0
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 31 34  1  0  0  0  0
 31 57  1  0  0  0  0
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 35 62  1  0  0  0  0
 36 38  2  0  0  0  0
 36 63  1  0  0  0  0
 37 39  2  0  0  0  0
 37 64  1  0  0  0  0
 38 39  1  0  0  0  0
 38 65  1  0  0  0  0
 39 66  1  0  0  0  0
M  END

$$$$
D05CYD
  -OEChem-10191521452D

142144  0     1  0  0  0  0  0999 V2000
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M  END

$$$$
D05CYJ
  -OEChem-10101305022D

 39 41  0     0  0  0  0  0  0999 V2000
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M  END

$$$$
D05DAE
  -OEChem-10101305032D

 24 25  0     0  0  0  0  0  0999 V2000
    4.7026    2.8933    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.1012    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.3988    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5116    1.4921    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1808    2.2352    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.1012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.1012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.3988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.6012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.6012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.6012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.6012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.1012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.8988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6808    3.1012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6540    0.4814    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2554   -0.2089    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -1.2912    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -1.2912    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951    1.7088    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -2.9112    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -2.9112    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.7212    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9329    3.6676    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  8  2  0  0  0  0
  3  8  1  0  0  0  0
  3 14  1  0  0  0  0
  3 20  1  0  0  0  0
  4  5  1  0  0  0  0
  4 14  2  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 16  1  0  0  0  0
  6 17  1  0  0  0  0
  7  9  2  0  0  0  0
  7 10  1  0  0  0  0
  9 11  1  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 13  2  0  0  0  0
 11 21  1  0  0  0  0
 12 13  1  0  0  0  0
 12 22  1  0  0  0  0
 13 23  1  0  0  0  0
 15 24  1  0  0  0  0
M  END

$$$$
D05DAF
  -OEChem-10101305022D

 29 30  0     0  0  0  0  0  0999 V2000
    5.1350    1.0600    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.6350    1.9260    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6350    0.1940    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.5600    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -2.4400    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    1.5600    0.0000 C   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   -0.9400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    1.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    2.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -0.9400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -1.9400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -1.9400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    1.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    3.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -2.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    2.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.6300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    0.4400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    2.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6720   -0.6300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6720   -2.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2700    1.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    3.6800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -3.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2700    2.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -3.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.1300    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  4  1  0  0  0  0
  1  6  1  0  0  0  0
  4  7  1  0  0  0  0
  4 18  1  0  0  0  0
  5 12  1  0  0  0  0
  5 28  1  0  0  0  0
  5 29  1  0  0  0  0
  6  9  2  0  0  0  0
  6 10  1  0  0  0  0
  7  8  1  0  0  0  0
  7 11  2  0  0  0  0
  8 12  2  0  0  0  0
  8 19  1  0  0  0  0
  9 14  1  0  0  0  0
  9 20  1  0  0  0  0
 10 15  2  0  0  0  0
 10 21  1  0  0  0  0
 11 13  1  0  0  0  0
 11 22  1  0  0  0  0
 12 16  1  0  0  0  0
 13 16  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 17  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
M  END

$$$$
D05DAG
  -OEChem-10101305022D

 24 25  0     0  0  0  0  0  0999 V2000
    2.0000    0.0103    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.5443   -1.7944    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1441    1.9223    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5443   -0.1850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.4897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8550    0.7656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.4897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1279   -0.9897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8335    0.9718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.0103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.9897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.4897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.4897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8344    1.3852    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2411    0.8529    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7479   -0.9897    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7369   -2.3838    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8540    0.3521    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4473    0.8844    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.6303    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.6097    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -1.7997    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7508    2.0502    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7301    2.3838    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  8  1  0  0  0  0
  2 17  1  0  0  0  0
  3  9  1  0  0  0  0
  3 23  1  0  0  0  0
  3 24  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  7  2  0  0  0  0
  5 10  1  0  0  0  0
  6  9  1  0  0  0  0
  6 14  1  0  0  0  0
  6 15  1  0  0  0  0
  7 11  1  0  0  0  0
  8 16  1  0  0  0  0
  9 18  1  0  0  0  0
  9 19  1  0  0  0  0
 10 12  2  0  0  0  0
 10 20  1  0  0  0  0
 11 13  2  0  0  0  0
 11 21  1  0  0  0  0
 12 13  1  0  0  0  0
 13 22  1  0  0  0  0
M  END

$$$$
D05DAN
  -OEChem-10101305032D

 52 54  0     1  0  0  0  0  0999 V2000
    6.3301   -5.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    5.0000    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
    4.5981    1.0000    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
    3.7320    2.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -4.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    4.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.5000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.4641   -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
    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
    2.8660   -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
    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
    5.4641    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
    3.7320   -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
    5.4641    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -4.0000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.8660    4.0000    0.0000 C   0  0  1  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
    2.0000    3.5000    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
    5.4641   -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
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    2.5560   -0.4631    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    3.4030    4.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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 23  1  1  1  0  0  0
  1 51  1  0  0  0  0
 24  2  1  1  0  0  0
  2 52  1  0  0  0  0
  3  9  1  0  0  0  0
  3 10  1  0  0  0  0
  3 15  1  0  0  0  0
  4 11  1  0  0  0  0
  4 12  1  0  0  0  0
  4 16  1  0  0  0  0
  5 15  2  0  0  0  0
  5 19  1  0  0  0  0
  6 16  2  0  0  0  0
  6 21  1  0  0  0  0
  7 19  2  0  0  0  0
  7 20  1  0  0  0  0
  8 21  2  0  0  0  0
  8 22  1  0  0  0  0
  9 11  1  0  0  0  0
  9 14  1  6  0  0  0
  9 27  1  0  0  0  0
 10 12  1  0  0  0  0
 10 13  1  6  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
 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 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 20  2  0  0  0  0
 17 39  1  0  0  0  0
 18 22  2  0  0  0  0
 18 40  1  0  0  0  0
 19 23  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
 23 25  1  0  0  0  0
 23 43  1  0  0  0  0
 24 26  1  0  0  0  0
 24 44  1  0  0  0  0
 25 45  1  0  0  0  0
 25 46  1  0  0  0  0
 25 47  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
M  END

$$$$
D05DBJ
  -OEChem-10101305032D

 32 33  0     0  0  0  0  0  0999 V2000
    7.1962   -0.7500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    2.2500    0.0000 O   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
    8.0622    0.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.7500    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
    4.5981   -0.2500    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
    8.0622   -0.2500    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
    3.7320   -1.7500    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
    4.5981   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.6603   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    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
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    4.5981   -2.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3312    1.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3503   -1.2869    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1972   -1.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9703   -0.2131    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
    1.6900   -2.2869    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 12  1  0  0  0  0
  2 18  1  0  0  0  0
  3 17  2  0  0  0  0
  4 10  1  0  0  0  0
  4 11  1  0  0  0  0
  4 23  1  0  0  0  0
  5 10  2  0  0  0  0
  5 17  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  2  0  0  0  0
  6  9  1  0  0  0  0
  7 19  1  0  0  0  0
  7 20  1  0  0  0  0
  8 13  1  0  0  0  0
  8 21  1  0  0  0  0
  9 14  2  0  0  0  0
  9 22  1  0  0  0  0
 11 15  2  0  0  0  0
 11 16  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 13 24  1  0  0  0  0
 14 25  1  0  0  0  0
 15 17  1  0  0  0  0
 15 26  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
 18 30  1  0  0  0  0
 18 31  1  0  0  0  0
 18 32  1  0  0  0  0
M  END

$$$$
D05DCQ
  -OEChem-10101305032D

 34 36  0     0  0  0  0  0  0999 V2000
    6.3092    1.1092    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.3773    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8366    1.8718    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6456    0.4706    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8147    2.0797    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.8916    1.8137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8970    1.9182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.6227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.8773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2983    0.9001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4793    2.6227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3147    1.2137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.1227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.1227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2928    0.7956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4739    2.5182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8806    1.6046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.1227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.1227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.6227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0679    2.5142    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    8.2272    3.1891    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -0.8127    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -0.8127    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3758    2.2867    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5450    0.2292    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8383    3.0198    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4972    1.5398    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -2.4327    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -2.4327    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.2427    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1 12  1  0  0  0  0
  2  8  1  0  0  0  0
  2  9  1  0  0  0  0
  2 23  1  0  0  0  0
  3  5  1  0  0  0  0
  3  9  1  0  0  0  0
  3 28  1  0  0  0  0
  4  9  2  0  0  0  0
  4 12  1  0  0  0  0
  5 12  2  0  0  0  0
  6  7  1  0  0  0  0
  6 10  2  0  0  0  0
  6 11  1  0  0  0  0
  7 21  1  0  0  0  0
  7 22  1  0  0  0  0
  8 13  2  0  0  0  0
  8 14  1  0  0  0  0
 10 15  1  0  0  0  0
 10 24  1  0  0  0  0
 11 16  2  0  0  0  0
 11 25  1  0  0  0  0
 13 18  1  0  0  0  0
 13 26  1  0  0  0  0
 14 19  2  0  0  0  0
 14 27  1  0  0  0  0
 15 17  2  0  0  0  0
 15 29  1  0  0  0  0
 16 17  1  0  0  0  0
 16 30  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
 19 20  1  0  0  0  0
 19 33  1  0  0  0  0
 20 34  1  0  0  0  0
M  END

$$$$
D05DCW
  -OEChem-10191521542D

 35 38  0     0  0  0  0  0  0999 V2000
    8.4367    1.5687    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.3143    2.1678    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9094    0.4445    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2518   -0.7548    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.2611    1.2132    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.6422   -0.5461    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.3017   -1.7023    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.9414    0.6562    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.9367    0.0299    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6277    0.9810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9367    0.0299    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6123    1.2132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2457    0.9810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9320    0.6562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2312   -0.5461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6217   -0.7548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6267    1.6084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2600   -0.0844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9773    1.0796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6493    1.8201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2827    0.1273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9641    0.4445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.2912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8182   -1.0085    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.4493   -0.6747    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4600    2.4105    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.3318    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    1.3940    1.4225    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8688    0.6853    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.1307    1.2466    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.3580    0.1971    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
  1 13  1  0  0  0  0
  2 12  2  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
  4  9  1  0  0  0  0
  4 15  2  0  0  0  0
  5 13  2  0  0  0  0
  5 22  1  0  0  0  0
  6 16  1  0  0  0  0
  6 22  2  0  0  0  0
  7 16  1  0  0  0  0
  7 29  1  0  0  0  0
  7 30  1  0  0  0  0
  8 22  1  0  0  0  0
  8 34  1  0  0  0  0
  8 35  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 10 12  1  0  0  0  0
 11 13  1  0  0  0  0
 11 16  2  0  0  0  0
 14 17  2  0  0  0  0
 14 18  1  0  0  0  0
 15 24  1  0  0  0  0
 17 20  1  0  0  0  0
 17 25  1  0  0  0  0
 18 21  2  0  0  0  0
 18 26  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 19 23  1  0  0  0  0
 20 27  1  0  0  0  0
 21 28  1  0  0  0  0
 23 31  1  0  0  0  0
 23 32  1  0  0  0  0
 23 33  1  0  0  0  0
M  END

$$$$
D05DDS
  -OEChem-04152122272D

 28 27  0     1  0  0  0  0  0999 V2000
    6.3301   -0.2685    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
    8.0622   -0.2685    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.7685    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    0.2315    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8301    0.5976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8301   -1.1345    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282   -0.7685    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5622    0.5976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5622   -1.1345    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.2685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.7685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.2685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.7685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.7315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.3335   -1.2434    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.9966    0.2065    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    1.6900   -0.2315    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -1.0785    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   -1.3054    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4860    0.7315    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.3515    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2460    0.7315    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1401    1.1345    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    8.2522    1.1345    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  1  0  0  0  0
  1  6  2  0  0  0  0
  2  4  1  0  0  0  0
  2  7  1  0  0  0  0
  2  8  1  0  0  0  0
  2  9  2  0  0  0  0
  3 12  1  0  0  0  0
  5 26  1  0  0  0  0
  7 27  1  0  0  0  0
  8 28  1  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 15  1  0  0  0  0
 11 12  1  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
 13 20  1  0  0  0  0
 13 21  1  0  0  0  0
 13 22  1  0  0  0  0
 14 23  1  0  0  0  0
 14 24  1  0  0  0  0
 14 25  1  0  0  0  0
M  END

$$$$
D05DDU
  -OEChem-10101305022D

 31 33  0     0  0  0  0  0  0999 V2000
    2.5369    0.2327    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6270   -0.3020    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    0.2327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    1.2327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    0.2327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -0.2673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -0.2673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    1.2327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    1.7327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6270    1.7673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5331    0.2119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.2327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5331    1.2535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -1.2673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -0.2673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -1.7673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3972   -0.2915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -1.2673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -0.8873    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.5427    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    2.3527    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6199    2.3873    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.8527    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0688    1.5656    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6720   -1.5773    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   10.0851   -0.8272    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9329   -0.6035    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7093    0.2443    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.5773    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
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  4 10  1  0  0  0  0
  5  6  1  0  0  0  0
  6 19  1  0  0  0  0
  7 12  2  0  0  0  0
  7 14  1  0  0  0  0
  8  9  2  0  0  0  0
  8 20  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 13  1  0  0  0  0
 11 17  1  0  0  0  0
 12 15  1  0  0  0  0
 12 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
 15 18  2  0  0  0  0
 16 18  1  0  0  0  0
 16 26  1  0  0  0  0
 17 27  1  0  0  0  0
 17 28  1  0  0  0  0
 17 29  1  0  0  0  0
 18 30  1  0  0  0  0
M  END

$$$$
D05DFJ
  -OEChem-10101305022D

 17 17  0     0  0  0  0  0  0999 V2000
    3.7320    0.8450    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.1550    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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    2.7320    0.8450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.5981   -0.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7320   -2.7750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    2.1550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951    2.1550    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  7  1  0  0  0  0
  2  8  1  0  0  0  0
  3  9  1  0  0  0  0
  6 16  1  0  0  0  0
  6 17  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  8 10  1  0  0  0  0
  9 11  2  0  0  0  0
 10 12  2  0  0  0  0
 10 13  1  0  0  0  0
 11 12  1  0  0  0  0
 11 14  1  0  0  0  0
 12 15  1  0  0  0  0
M  END

$$$$
D05DFO
  -OEChem-10101305022D

 69 69  0     0  0  0  0  0  0999 V2000
    4.5981   -4.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -8.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -4.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    5.4641   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.5981    6.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.3301    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 23 63  1  0  0  0  0
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 28 67  1  0  0  0  0
 28 68  1  0  0  0  0
 28 69  1  0  0  0  0
M  END

$$$$
D05DGE
  -OEChem-10101305032D

  5  4  0     0  0  0  0  0  0999 V2000
    2.8660    0.0000    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.5000    0.0000 F   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  1  0  0  0  0
  1  5  2  0  0  0  0
M  CHG  2   3  -1   4  -1
M  END

$$$$
D05DHX
  -OEChem-10101305022D

 46 48  0     1  0  0  0  0  0999 V2000
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 12 30  1  0  0  0  0
 12 31  1  0  0  0  0
 13 18  1  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 18  2  0  0  0  0
 15 35  1  0  0  0  0
 16 19  1  0  0  0  0
 16 20  2  0  0  0  0
 17 36  1  0  0  0  0
 17 37  1  0  0  0  0
 17 38  1  0  0  0  0
 18 39  1  0  0  0  0
 20 40  1  0  0  0  0
 20 41  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  2  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 45  1  0  0  0  0
 24 46  1  0  0  0  0
M  END

$$$$
D05DIH
  -OEChem-10101305032D

 43 44  0     0  0  0  0  0  0999 V2000
    2.0000   -4.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -4.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.0000    0.0000 N   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
    3.7320    3.5000    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
    4.7320    4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7320    4.5000    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
    4.5981    3.0000    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
    3.7320    1.5000    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   -1.0000    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
    3.7320   -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
    3.7320   -2.5000    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   -5.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7320    5.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1120    4.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7320    3.8800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7320    3.8800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3520    4.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7320    5.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3520    5.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    6.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1120    5.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291    3.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    3.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291    1.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    1.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.1900    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
    4.2690   -1.1900    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
    4.2690   -2.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3800   -5.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -6.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6200   -5.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 21  1  0  0  0  0
  1 22  1  0  0  0  0
  2 21  2  0  0  0  0
  3 14  2  0  0  0  0
  3 15  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  2  0  0  0  0
  5 10  1  0  0  0  0
  6 29  1  0  0  0  0
  6 30  1  0  0  0  0
  6 31  1  0  0  0  0
  7 26  1  0  0  0  0
  7 27  1  0  0  0  0
  7 28  1  0  0  0  0
  8 23  1  0  0  0  0
  8 24  1  0  0  0  0
  8 25  1  0  0  0  0
  9 11  1  0  0  0  0
  9 32  1  0  0  0  0
 10 12  2  0  0  0  0
 10 33  1  0  0  0  0
 11 13  2  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
 13 14  1  0  0  0  0
 14 36  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 16 19  1  0  0  0  0
 16 37  1  0  0  0  0
 17 20  2  0  0  0  0
 17 38  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 18 21  1  0  0  0  0
 19 39  1  0  0  0  0
 20 40  1  0  0  0  0
 22 41  1  0  0  0  0
 22 42  1  0  0  0  0
 22 43  1  0  0  0  0
M  END

$$$$
D05DIN
  -OEChem-10101305022D

 40 43  0     0  0  0  0  0  0999 V2000
    4.6660   -3.2327    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321    0.2673    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000    0.2673    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641    1.2673    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660   -1.2327    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321   -1.7327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000   -1.7327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321   -2.7327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000   -2.7327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4260   -1.1980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9061   -1.1980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660   -0.2327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4260   -3.2673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9061   -3.2673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.7118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3321   -1.7118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3321   -2.7535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.7535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.6660    2.7673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.9132   -0.5780    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4188   -0.5780    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.9132   -3.8873    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8678   -1.3998    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4643   -1.3998    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4643   -3.0656    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8678   -3.0656    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1291    1.4573    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9350    3.0773    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1291    3.0773    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321    3.8873    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4401    1.2304    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6671    2.0773    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8201    2.3043    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 19  1  0  0  0  0
  3 12  2  0  0  0  0
  4 20  1  0  0  0  0
  4 25  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 12  1  0  0  0  0
  6  8  1  0  0  0  0
  6 10  2  0  0  0  0
  7  9  1  0  0  0  0
  7 11  2  0  0  0  0
  8 13  2  0  0  0  0
  9 14  2  0  0  0  0
 10 16  1  0  0  0  0
 10 27  1  0  0  0  0
 11 15  1  0  0  0  0
 11 26  1  0  0  0  0
 13 17  1  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 18  2  0  0  0  0
 15 31  1  0  0  0  0
 16 17  2  0  0  0  0
 16 30  1  0  0  0  0
 17 33  1  0  0  0  0
 18 32  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
 21 23  1  0  0  0  0
 21 34  1  0  0  0  0
 22 24  1  0  0  0  0
 22 35  1  0  0  0  0
 23 24  2  0  0  0  0
 23 36  1  0  0  0  0
 24 37  1  0  0  0  0
 25 38  1  0  0  0  0
 25 39  1  0  0  0  0
 25 40  1  0  0  0  0
M  END

$$$$
D05DLI
  -OEChem-10101305022D

159166  0     1  0  0  0  0  0999 V2000
    7.1982    9.1782    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   18.8615    1.0382    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    5.1303    8.5023    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   20.3145    2.6574    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    6.1826    4.2630    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   17.0412    9.8146    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    5.8048    2.1204    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   18.1290    7.9305    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.6811    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.3660    8.0471    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.3660    6.3150    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   11.0424    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.3660   12.4084    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.3660   10.6764    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   11.1549   12.9961    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   11.5209   14.3621    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   12.5209   12.6301    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   11.1549   17.3574    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   11.5209   18.7235    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   12.5209   16.9914    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   11.8909    4.4408    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2982    7.6570    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.1461    1.4519    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.2889    3.0840    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7002    7.1570    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.3024    5.0622    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5365    4.9137    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6329    1.6706    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.8198    7.6986    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5981    7.1811    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5981   11.5424    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.7530   13.4961    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.7530   17.8574    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7320    8.6811    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7320   13.0424    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8869   14.9961    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8869   19.3574    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1999    3.4887    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.6179    2.1087    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.8292    8.3240    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.6999    2.0132    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.2701    6.4478    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.2230    9.1288    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.8132    0.7149    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.1828    5.4518    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.1457    3.7730    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.9336    3.3763    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.6858    6.1986    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.1173    5.2674    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.6971    2.0079    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.7343   10.0978    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.5870    0.6200    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.4800    7.4186    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   17.7377    2.4211    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.8676    3.6828    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.6563    8.6931    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.1461    3.1840    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.4322    6.1570    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.5662    6.6570    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   14.1461    3.1840    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.8414    4.1302    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   11.2230    5.1851    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   14.4508    4.1302    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.8292    5.9899    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   13.6461    4.7138    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.2343    5.0821    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.5662    7.6570    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   14.6461    2.3179    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.6461    2.3179    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.2982    6.6570    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   14.1461    1.4519    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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M  END

$$$$
D05DMH
  -OEChem-10111523552D

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 23 55  1  0  0  0  0
M  END

$$$$
D05DNU
  -OEChem-10101305022D

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M  END

$$$$
D05DNW
  -OEChem-04152111012D

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M  END

$$$$
D05DOM
  -OEChem-10101305032D

  8  7  0     0  0  0  0  0  0999 V2000
    2.0000    0.2500    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2646    1.2250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4675    1.2250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    0.4400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  8  1  0  0  0  0
  3  5  2  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4  7  1  0  0  0  0
M  END

$$$$
D05DQF
  -OEChem-10101305022D

 23 24  0     0  0  0  0  0  0999 V2000
    6.6353    0.0304    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783   -0.3820    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2781    1.7253    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.6867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.6867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9889    0.5685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2619   -1.1867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783   -1.9915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.1867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.1867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.6867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.6867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9674    0.7747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9684    1.1882    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3751    0.6559    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8819   -1.1867    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8709   -2.5808    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.4333    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.8067    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -0.3767    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -1.9967    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8848    1.8531    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8640    2.1867    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  2  0  0  0  0
  2  4  1  0  0  0  0
  2  6  1  0  0  0  0
  2  7  1  0  0  0  0
  3 13  1  0  0  0  0
  3 22  1  0  0  0  0
  3 23  1  0  0  0  0
  4  5  1  0  0  0  0
  4  9  2  0  0  0  0
  5  8  1  0  0  0  0
  5 10  2  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  8  2  0  0  0  0
  7 16  1  0  0  0  0
  8 17  1  0  0  0  0
  9 11  1  0  0  0  0
  9 18  1  0  0  0  0
 10 12  1  0  0  0  0
 10 19  1  0  0  0  0
 11 12  2  0  0  0  0
 11 20  1  0  0  0  0
 12 21  1  0  0  0  0
M  END

$$$$
D05DRQ
  -OEChem-10101305032D

 42 43  0     0  0  0  0  0  0999 V2000
    4.5981    1.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    3.0000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    5.4641    1.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.0000    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
    5.4641    2.5000    0.0000 N   0  3  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   -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
    2.0000   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -4.5000    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
    2.0000   -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
    3.7320    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.5000    0.0000 C   0  0  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
    2.8660    3.0000    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
    2.8660    4.0000    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
    1.7880   -2.9174    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3894   -3.6077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3426   -3.6077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9441   -2.9174    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -1.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -1.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1120   -4.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3800   -4.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -5.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6200   -4.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -5.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3520   -4.5000    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
    4.2690   -0.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291    1.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291    2.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    4.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291    4.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    5.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 18  2  0  0  0  0
  2  6  1  0  0  0  0
  3  6  2  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 12  1  0  0  0  0
  5 18  1  0  0  0  0
  5 38  1  0  0  0  0
  6 19  1  0  0  0  0
  7 10  2  0  0  0  0
  7 11  1  0  0  0  0
  8 13  1  0  0  0  0
  8 24  1  0  0  0  0
  8 25  1  0  0  0  0
  9 14  1  0  0  0  0
  9 26  1  0  0  0  0
  9 27  1  0  0  0  0
 10 15  1  0  0  0  0
 10 28  1  0  0  0  0
 11 16  2  0  0  0  0
 11 29  1  0  0  0  0
 12 15  2  0  0  0  0
 12 16  1  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 30  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
 16 37  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 17 20  2  0  0  0  0
 19 21  2  0  0  0  0
 20 22  1  0  0  0  0
 20 39  1  0  0  0  0
 21 23  1  0  0  0  0
 21 40  1  0  0  0  0
 22 23  2  0  0  0  0
 22 41  1  0  0  0  0
 23 42  1  0  0  0  0
M  CHG  2   2  -1   6   1
M  END

$$$$
D05DTJ
  -OEChem-10101305022D

 18 17  0     0  0  0  0  0  0999 V2000
    5.2690    5.1200    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.3100    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.5369    4.1200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2690    1.1200    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4030    2.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4030    3.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5369    2.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2690    2.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2690    4.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5369    1.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4030    0.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    2.4300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8059    2.4300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4810    3.5374    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8796    4.2277    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    0.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4030    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0000    2.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  2 18  1  0  0  0  0
  3  6  2  0  0  0  0
  4  8  1  0  0  0  0
  4 11  2  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5  8  2  0  0  0  0
  6  9  1  0  0  0  0
  7 10  2  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
  9 15  1  0  0  0  0
 10 11  1  0  0  0  0
 10 16  1  0  0  0  0
 11 17  1  0  0  0  0
M  END

$$$$
D05DTN
  -OEChem-10191521332D

 25 24  0     0  0  0  0  0  0999 V2000
    6.3301    1.0600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942    0.0600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.0600    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
    5.4641   -0.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.4400    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
    7.1962   -0.4400    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
    8.9282   -0.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3335   -0.9149    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1306   -0.9149    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9966    0.5349    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1996    0.5349    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2646    0.5349    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4675    0.5349    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0656   -0.9149    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8626   -0.9149    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900    0.0969    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -0.7500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   -0.9769    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -1.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    0.6800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282   -1.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  2  0  0  0  0
  2 11  2  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3 12  1  0  0  0  0
  3 13  1  0  0  0  0
  4  6  1  0  0  0  0
  4 14  1  0  0  0  0
  4 15  1  0  0  0  0
  5  7  1  0  0  0  0
  5 16  1  0  0  0  0
  5 17  1  0  0  0  0
  6  8  1  0  0  0  0
  6 18  1  0  0  0  0
  6 19  1  0  0  0  0
  7 20  1  0  0  0  0
  7 21  1  0  0  0  0
  7 22  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 23  1  0  0  0  0
 10 11  1  0  0  0  0
 10 24  1  0  0  0  0
 11 25  1  0  0  0  0
M  END

$$$$
D05DUX
  BIDD-NUS20110812001D

 35 39  0     1  0            999 V2000
   10.2553   -8.6913    0.0000 C   0  0  0  0  0  0           0  0  0
   10.2553   -9.5168    0.0000 C   0  0  0  0  0  0           0  0  0
   10.9684   -9.9275    0.0000 C   0  0  3  0  0  0           0  0  0
   10.9684   -8.2764    0.0000 C   0  0  0  0  0  0           0  0  0
   11.6815   -8.6913    0.0000 C   0  0  1  0  0  0           0  0  0
   11.6780   -9.5168    0.0000 C   0  0  3  0  0  0           0  0  0
   12.3878   -9.9324    0.0000 C   0  0  0  0  0  0           0  0  0
   13.1057   -9.5229    0.0000 C   0  0  0  0  0  0           0  0  0
   12.3948   -8.2813    0.0000 C   0  0  3  0  0  0           0  0  0
   13.1053   -8.6998    0.0000 C   0  0  2  0  0  0           0  0  0
   13.1221   -7.0525    0.0000 C   0  0  0  0  0  0           0  0  0
   12.4001   -7.4584    0.0000 C   0  0  0  0  0  0           0  0  0
   13.8326   -7.4751    0.0000 C   0  0  1  0  0  0           0  0  0
   13.8188   -8.2969    0.0000 C   0  0  1  0  0  0           0  0  0
   14.5161   -8.7154    0.0000 C   0  0  0  0  0  0           0  0  0
   15.2359   -8.3207    0.0000 C   0  0  1  0  0  0           0  0  0
   15.2496   -7.4989    0.0000 O   0  0  0  0  0  0           0  0  0
   14.5437   -7.0718    0.0000 C   0  0  1  0  0  0           0  0  0
   15.9438   -8.7444    0.0000 C   0  0  3  0  0  0           0  0  0
   16.0183   -9.5656    0.0000 C   0  0  3  0  0  0           0  0  0
   16.8227   -9.7552    0.0000 O   0  0  0  0  0  0           0  0  0
   17.2504   -9.0473    0.0000 C   0  0  0  0  0  0           0  0  0
   16.7078   -8.4229    0.0000 C   0  0  0  0  0  0           0  0  0
   18.0729   -8.9763    0.0000 O   0  0  0  0  0  0           0  0  0
   15.3949  -10.1095    0.0000 O   0  0  0  0  0  0           0  0  0
   11.6741   -7.8657    0.0000 C   0  0  0  0  0  0           0  0  0
   10.2470  -10.3342    0.0000 C   0  0  0  0  0  0           0  0  0
   11.6783  -10.3382    0.0000 C   0  0  0  0  0  0           0  0  0
   13.0971   -7.8740    0.0000 C   0  0  0  0  0  0           0  0  0
   13.8272   -6.6460    0.0000 H   0  0  0  0  0  0           0  0  0
   13.8106   -9.1186    0.0000 H   0  0  0  0  0  0           0  0  0
   14.5565   -6.2463    0.0000 O   0  0  0  0  0  0           0  0  0
   15.2782   -5.8466    0.0000 C   0  0  0  0  0  0           0  0  0
   15.2910   -5.0211    0.0000 O   0  0  0  0  0  0           0  0  0
   15.9873   -6.2683    0.0000 C   0  0  0  0  0  0           0  0  0
 13 18  1  0     0  0
 14 15  1  0     0  0
 15 16  1  0     0  0
 16 17  1  0     0  0
 17 18  1  0     0  0
  8 10  1  0     0  0
 16 19  1  1     0  0
 19 20  1  0     0  0
  9 10  1  0     0  0
  3  6  1  0     0  0
  5  4  1  0     0  0
  5  6  1  0     0  0
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 33 34  2  0     0  0
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 33 35  1  0     0  0
M  ENDM  END

$$$$
D05DWG
  -OEChem-10101305022D

 81 82  0     1  0  0  0  0  0999 V2000
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 35 81  1  0  0  0  0
M  END

$$$$
D05DXW
  -OEChem-10101305022D

 49 51  0     0  0  0  0  0  0999 V2000
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 24 49  1  0  0  0  0
M  END

$$$$
D05DYX
  -OEChem-04152109382D

 59 62  0     0  0  0  0  0  0999 V2000
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  1 33  1  0  0  0  0
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 31 33  2  0  0  0  0
 31 57  1  0  0  0  0
 32 33  1  0  0  0  0
 32 58  1  0  0  0  0
M  END

$$$$
D05EBZ
  -OEChem-10101305032D

 28 29  0     0  0  0  0  0  0999 V2000
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  1  3  2  0  0  0  0
  1  4  2  0  0  0  0
  1  5  1  0  0  0  0
  1  8  1  0  0  0  0
  2  9  1  0  0  0  0
  2 12  1  0  0  0  0
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 10 20  1  0  0  0  0
 11 13  2  0  0  0  0
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 13 22  1  0  0  0  0
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 16 27  1  0  0  0  0
 17 18  1  0  0  0  0
 17 28  1  0  0  0  0
 18 19  1  0  0  0  0
M  END

$$$$
D05EDA
  -OEChem-10101305022D

118120  0     1  0  0  0  0  0999 V2000
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M  END

$$$$
D05EDD
  -OEChem-10191522492D

 54 54  0     1  0  0  0  0  0999 V2000
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M  END

$$$$
D05EDR
  -OEChem-10101305022D

 36 37  0     1  0  0  0  0  0999 V2000
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 18 34  1  0  0  0  0
 18 35  1  0  0  0  0
 18 36  1  0  0  0  0
M  END

$$$$
D05EDW
  -OEChem-10101305022D

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M  END

$$$$
D05EEV
  -OEChem-04152122262D

 48 51  0     1  0  0  0  0  0999 V2000
    7.0321    0.2100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  