B87DNV
  -OEChem-04022117003D

 18 18  0     0  0  0  0  0  0999 V2000
    4.7306    0.0026   -0.3578 I   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8376   -0.0011    0.4124 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2404    1.2568    1.0275 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2097   -1.2633    1.0382 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7825   -0.0029   -1.1803 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3527    0.0040   -1.2283 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1034   -0.0001    0.2109 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5893    1.2082    0.1343 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5895   -1.2077    0.1247 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9746    1.2090   -0.0286 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9748   -1.2069   -0.0382 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6673    0.0014   -0.1150 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0689    2.1601    0.1925 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0702   -2.1606    0.1745 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4947    2.1618   -0.0874 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4951   -2.1590   -0.1048 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0314    0.7927   -1.8052 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0370   -0.1147   -2.1118 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  2  0  0  0  0
  2  6  1  0  0  0  0
  2  7  1  0  0  0  0
  5  6  1  0  0  0  0
  5 18  1  0  0  0  0
  6 17  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 13  1  0  0  0  0
  9 11  2  0  0  0  0
  9 14  1  0  0  0  0
 10 12  2  0  0  0  0
 10 15  1  0  0  0  0
 11 12  1  0  0  0  0
 11 16  1  0  0  0  0
M  END

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