B31GAP
  -OEChem-04022108533D

 19 20  0     0  0  0  0  0  0999 V2000
    4.1101   -0.5695    0.0004 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3936    2.9091   -0.0001 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3254   -0.6803    0.0009 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0274   -1.1311   -0.0002 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4433   -1.2578   -0.0002 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8213    0.9605    0.0001 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8598    1.0986   -0.0003 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2368   -0.5966   -0.0003 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4764    0.7181   -0.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6003    1.7020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1579   -0.2835    0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4808   -0.2919    0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2043   -2.5776   -0.0004 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5550   -2.2638   -0.0001 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2521    1.8765    0.0003 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6589    1.7268   -0.0002 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7349   -2.9964    0.8953 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7347   -2.9962   -0.8960 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2627   -2.8511   -0.0004 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  2  0  0  0  0
  2 10  2  0  0  0  0
  3 11  2  0  0  0  0
  4  8  1  0  0  0  0
  4 11  1  0  0  0  0
  4 13  1  0  0  0  0
  5  8  1  0  0  0  0
  5 12  1  0  0  0  0
  5 14  1  0  0  0  0
  6  9  1  0  0  0  0
  6 12  1  0  0  0  0
  6 15  1  0  0  0  0
  7 10  1  0  0  0  0
  7 11  1  0  0  0  0
  7 16  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 13 17  1  0  0  0  0
 13 18  1  0  0  0  0
 13 19  1  0  0  0  0
M  END

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