B65KEY
  -OEChem-04012112483D

 19 19  0     0  0  0  0  0  0999 V2000
    2.8241   -0.1894   -0.0004 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.3306   -0.8673    0.0009 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0120    0.5037    1.2613 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0106    0.5022   -1.2630 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8715   -1.5487   -0.0001 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5271   -1.2653   -0.0009 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1777   -0.1439    0.0010 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0554   -0.7962    0.0012 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2293    1.2501    0.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2367   -0.0543    0.0006 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9519    1.9918   -0.0003 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1849    1.3397   -0.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4999   -0.7223   -0.0003 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0857   -1.8837    0.0015 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1520    1.8182   -0.0001 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9126    3.0773   -0.0010 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0970    1.9317   -0.0009 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8821   -2.1209   -0.8542 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8829   -2.1199    0.8546 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  2  0  0  0  0
  1  5  1  0  0  0  0
  2  7  1  0  0  0  0
  5 18  1  0  0  0  0
  5 19  1  0  0  0  0
  6 13  3  0  0  0  0
  7  8  1  0  0  0  0
  7  9  2  0  0  0  0
  8 10  2  0  0  0  0
  8 14  1  0  0  0  0
  9 11  1  0  0  0  0
  9 15  1  0  0  0  0
 10 12  1  0  0  0  0
 10 13  1  0  0  0  0
 11 12  2  0  0  0  0
 11 16  1  0  0  0  0
 12 17  1  0  0  0  0
M  END

$$$$