BDIF98
  -OEChem-04022115243D

 19 20  0     0  0  0  0  0  0999 V2000
    3.3432   -0.8267   -0.0006 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.6375   -2.2086    0.0004 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1596   -0.7751   -0.0001 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9088   -1.2431    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3654    0.5444   -0.0001 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1027   -1.0393   -0.0001 N   0  3  0  0  0  0  0  0  0  0  0  0
   -0.1832   -0.1128    0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1119    1.0268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2137    0.0582    0.0003 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6624    2.3605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6348    1.4006    0.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7373    2.5019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2780   -1.6868   -0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3291    3.2134   -0.0002 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6991    1.6359    0.0001 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1563    3.5073   -0.0001 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9623   -1.3966    0.8010 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7725   -1.6188   -0.9720 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9196   -2.7053    0.1696 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  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 13  1  0  0  0  0
  4  7  2  0  0  0  0
  5  8  2  0  0  0  0
  6  9  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 11  2  0  0  0  0
 10 12  2  0  0  0  0
 10 14  1  0  0  0  0
 11 12  1  0  0  0  0
 11 15  1  0  0  0  0
 12 16  1  0  0  0  0
 13 17  1  0  0  0  0
 13 18  1  0  0  0  0
 13 19  1  0  0  0  0
M  CHG  2   1  -1   6   1
M  END

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