B3O1MD
  -OEChem-04022109133D

 20 20  0     0  0  0  0  0  0999 V2000
    3.5517    0.1542   -0.0005 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5604   -1.8912   -0.0003 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6876    0.0977   -0.0017 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4913   -1.9097    0.0024 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2045    0.1198    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2113    0.0847   -0.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0068   -0.5953   -0.0004 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1842    1.5145    0.0006 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2314    1.4795    0.0004 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0337    2.1944    0.0009 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4747   -0.5886   -0.0012 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4607   -0.6599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0084   -1.6825   -0.0010 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0846    2.1188    0.0010 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1565    2.0489    0.0007 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0497    3.2805    0.0014 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5636   -0.4145   -0.0008 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7654    1.1070   -0.0042 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4695   -2.2195    0.0026 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3888   -0.3574   -0.0010 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 12  2  0  0  0  0
  3 11  1  0  0  0  0
  3 17  1  0  0  0  0
  3 18  1  0  0  0  0
  4 11  2  0  0  0  0
  4 19  1  0  0  0  0
  5  7  2  0  0  0  0
  5  8  1  0  0  0  0
  5 11  1  0  0  0  0
  6  7  1  0  0  0  0
  6  9  2  0  0  0  0
  6 12  1  0  0  0  0
  7 13  1  0  0  0  0
  8 10  2  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
 10 16  1  0  0  0  0
M  END

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