BW31OG
  -OEChem-04012113493D

 17 16  0     0  0  0  0  0  0999 V2000
    1.4868    0.0995    0.0728 P   0  0  0  0  0  0  0  0  0  0  0  0
    2.2220   -1.3415   -0.0270 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8700    0.7660   -1.3542 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9343    0.9163    1.2525 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6234   -1.3768    0.0720 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0838    0.9066   -0.0147 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5261    0.8377   -0.0399 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2723   -0.2051    0.0387 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0077   -0.6026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9005    1.3988    0.8216 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8667    1.3385   -0.9513 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6499    1.8245   -0.0356 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7034   -1.1772   -0.8808 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7379   -1.1155    0.9288 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1048   -0.5954   -0.0212 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1988   -1.3803    0.0538 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7877    1.0817   -1.4971 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  1  8  1  0  0  0  0
  2 16  1  0  0  0  0
  3 17  1  0  0  0  0
  5  8  2  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6 12  1  0  0  0  0
  7  9  1  0  0  0  0
  7 10  1  0  0  0  0
  7 11  1  0  0  0  0
  9 13  1  0  0  0  0
  9 14  1  0  0  0  0
  9 15  1  0  0  0  0
M  END

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