BW87HR
  -OEChem-04022106463D

 20 21  0     0  0  0  0  0  0999 V2000
    1.3146   -2.4411   -0.0556 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0225   -0.0719    0.0679 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9620    1.1196   -0.0099 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9196   -1.1156   -0.0154 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3852    0.7014   -0.0135 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4039   -0.6974   -0.0013 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8016   -0.0378    0.0159 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5508    1.4381   -0.0105 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5764   -1.4194    0.0208 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4166    2.4858   -0.0290 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7541    0.7248    0.0070 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7666   -0.6865    0.0237 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5489    2.5216   -0.0174 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5873   -2.5025    0.0322 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0408    3.0020    0.8588 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0415    2.9770   -0.9312 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5093    2.5196   -0.0290 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6976    1.2649    0.0105 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7194   -1.2098    0.0389 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7898   -2.4678   -0.9033 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  1 20  1  0  0  0  0
  2  7  2  0  0  0  0
  3  5  1  0  0  0  0
  3  7  1  0  0  0  0
  3 10  1  0  0  0  0
  4  6  1  0  0  0  0
  4  7  1  0  0  0  0
  5  6  1  0  0  0  0
  5  8  2  0  0  0  0
  6  9  2  0  0  0  0
  8 11  1  0  0  0  0
  8 13  1  0  0  0  0
  9 12  1  0  0  0  0
  9 14  1  0  0  0  0
 10 15  1  0  0  0  0
 10 16  1  0  0  0  0
 10 17  1  0  0  0  0
 11 12  2  0  0  0  0
 11 18  1  0  0  0  0
 12 19  1  0  0  0  0
M  END

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