B91ONU
  -OEChem-04022114473D

 20 20  0     0  0  0  0  0  0999 V2000
   -2.6953   -2.4560    0.0121 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7937    3.4972    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.2013   -2.8588   -0.0011 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.3940    3.3151    0.0032 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4536   -1.0559    0.0008 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2498    2.8002    0.0011 N   0  3  0  0  0  0  0  0  0  0  0  0
    2.3282   -1.6105   -0.0003 N   0  3  0  0  0  0  0  0  0  0  0  0
   -3.6723   -0.3813   -0.0037 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2459   -0.5997   -0.0031 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1319    1.3851    0.0004 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1618   -0.8005   -0.0014 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1000   -1.3950   -0.0032 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1299    0.7903   -0.0014 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2779    0.5896    0.0004 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5614   -1.2197   -0.0038 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2025   -2.4777   -0.0046 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9986    1.4364   -0.0006 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2617    1.0532    0.0018 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6609    0.6299   -0.0125 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6009   -0.7922    0.0030 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 15  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  6  2  0  0  0  0
  5  7  2  0  0  0  0
  6 10  1  0  0  0  0
  7 11  1  0  0  0  0
  8 15  1  0  0  0  0
  8 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
  9 15  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 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
M  CHG  4   2  -1   3  -1   6   1   7   1
M  END

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