B8PUX3
  -OEChem-04042102563D

 21 22  0     0  0  0  0  0  0999 V2000
    3.1957    1.2888   -0.0003 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9022    1.4525    0.0003 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4515   -0.5668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3594    0.8339    0.0004 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7954   -1.3608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7291   -1.1455   -0.0004 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9798   -0.7276   -0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5055    1.6357    0.0005 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0888    0.7543   -0.0004 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7244   -2.8603    0.0005 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8762   -0.3462   -0.0005 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7646    1.0418   -0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9362    2.4680    0.0005 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8616   -2.2242   -0.0008 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9154   -1.2780    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4271    2.7198    0.0008 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2029   -3.2248    0.8920 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7207   -3.3166    0.0010 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2033   -3.2255   -0.8909 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8583   -0.8106   -0.0008 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6578    1.6594   -0.0001 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  2  0  0  0  0
  2  4  1  0  0  0  0
  2  9  1  0  0  0  0
  2 13  1  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  8  2  0  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 14  1  0  0  0  0
  7  9  1  0  0  0  0
  7 15  1  0  0  0  0
  8 12  1  0  0  0  0
  8 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

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