BW79FP
  -OEChem-04022108363D

 21 22  0     0  0  0  0  0  0999 V2000
   -3.2447    2.5039   -0.2988 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8518   -2.3962    0.2932 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8914   -1.1915    0.1429 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9226    1.1468   -0.1352 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9392   -0.1080    0.0079 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2199    0.0351   -0.0064 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2648    0.0349   -0.0081 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9166    1.1429    0.4767 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9183   -1.0726   -0.4873 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2732   -1.3192    0.1575 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3115    1.1432    0.4786 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3132   -1.0723   -0.4851 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0097    0.0356   -0.0021 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3015    1.1175   -0.1338 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3480   -2.0395    0.2704 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3928    2.0138    0.8618 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4093   -1.9417   -0.8938 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8541    2.0052    0.8557 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8576   -1.9322   -0.8647 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9549   -0.1203    0.0077 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0958    0.0362   -0.0016 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 14  2  0  0  0  0
  2 10  2  0  0  0  0
  3  7  1  0  0  0  0
  3 10  1  0  0  0  0
  3 15  1  0  0  0  0
  4  7  2  0  0  0  0
  4 14  1  0  0  0  0
  5 10  1  0  0  0  0
  5 14  1  0  0  0  0
  5 20  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  2  0  0  0  0
  6  9  1  0  0  0  0
  8 11  1  0  0  0  0
  8 16  1  0  0  0  0
  9 12  2  0  0  0  0
  9 17  1  0  0  0  0
 11 13  2  0  0  0  0
 11 18  1  0  0  0  0
 12 13  1  0  0  0  0
 12 19  1  0  0  0  0
 13 21  1  0  0  0  0
M  END

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