B3XVK8
  -OEChem-04042102163D

 17 17  0     0  0  0  0  0  0999 V2000
   -2.5865   -1.2368    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4107   -2.2263   -1.0977 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.4103   -2.2267    1.0975 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5097    0.5537    1.0977 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.5099    0.5543   -1.0976 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1837   -1.6689    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    1.9089    0.6160    0.0001 N   0  3  0  0  0  0  0  0  0  0  0  0
   -0.3532   -0.3478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4924    0.7615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7367   -0.1703   -0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0456    2.0485    0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2746    1.1168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4290    2.2261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6003    2.9233    0.0002 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3504    1.2709   -0.0001 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8478    3.2282    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5038   -0.9137    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  6  1  0  0  0  0
  3  6  2  0  0  0  0
  4  7  1  0  0  0  0
  5  7  2  0  0  0  0
  6  8  1  0  0  0  0
  7  9  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
 11 13  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 16  1  0  0  0  0
M  CHG  4   2  -1   4  -1   6   1   7   1
M  END

$$$$