B9Q4JX
  -OEChem-04022109223D

 20 21  0     0  0  0  0  0  0999 V2000
    1.2293   -1.8939    0.0004 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3550    2.3048    0.0010 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5272    0.3074   -0.0004 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4573   -1.8291   -0.0002 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1985    0.6768    0.0003 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1625    0.2606    0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0610   -0.3974    0.0006 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2940   -1.1182    0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6486    2.0910   -0.0010 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3652    1.0783   -0.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5415   -0.3991   -0.0004 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5175   -1.0812   -0.0004 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2755    2.6115    0.8874 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7383    2.1886   -0.0018 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2743    2.6103   -0.8896 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9232    0.1155   -0.8887 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9244    0.1185    0.8857 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9659   -1.4087    0.0010 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4220    0.7883   -0.0003 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5283   -1.5174   -0.0006 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1  8  1  0  0  0  0
  2 10  2  0  0  0  0
  3 10  1  0  0  0  0
  3 12  1  0  0  0  0
  3 19  1  0  0  0  0
  4  8  1  0  0  0  0
  4 12  2  0  0  0  0
  5  6  1  0  0  0  0
  5  7  2  0  0  0  0
  5  9  1  0  0  0  0
  6  8  2  0  0  0  0
  6 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
 11 16  1  0  0  0  0
 11 17  1  0  0  0  0
 11 18  1  0  0  0  0
 12 20  1  0  0  0  0
M  END

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