L3I2KG
  -OEChem-05022322103D

 21 22  0     0  0  0  0  0  0999 V2000
    2.2549    1.4285   -0.0001 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1322    0.6321   -0.0001 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8666    1.0844    0.0002 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4248   -1.3570   -0.0001 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1433   -0.0385    0.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2312   -0.7283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9408   -1.1987   -0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3308   -0.0139    0.0004 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2170    1.5873   -0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1290   -1.1375    0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5155   -0.8099   -0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7256    0.5515   -0.0003 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6399   -2.2369   -0.0003 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8112    2.6025   -0.0004 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8166    1.4292   -0.9000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8164    1.4295    0.8999 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7611   -2.1558    0.0002 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3182   -1.5357   -0.0002 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3100   -0.8602    0.0001 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4943   -2.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6723    1.0730   -0.0006 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
  1 12  1  0  0  0  0
  2  3  1  0  0  0  0
  2  6  1  0  0  0  0
  2  9  1  0  0  0  0
  3  5  2  0  0  0  0
  4  6  1  0  0  0  0
  4 19  1  0  0  0  0
  4 20  1  0  0  0  0
  5  7  1  0  0  0  0
  5  8  1  0  0  0  0
  6  7  2  0  0  0  0
  7 13  1  0  0  0  0
  8 10  2  0  0  0  0
  9 14  1  0  0  0  0
  9 15  1  0  0  0  0
  9 16  1  0  0  0  0
 10 11  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 21  1  0  0  0  0
M  END

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