B3VM2X
  -OEChem-04042104353D

 41 43  0     0  0  0  0  0  0999 V2000
   -4.6764    0.7387    0.5867 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.4715   -1.0047   -0.5708 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9879   -0.0812   -1.3406 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6022    0.7757    0.9107 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0505   -2.4665    1.2973 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0612    2.9970    0.4281 O   0  5  0  0  0  0  0  0  0  0  0  0
    7.8381    1.7531    0.0900 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5968    1.8861    0.2034 N   0  3  0  0  0  0  0  0  0  0  0  0
   -7.0944   -0.3956    0.6226 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9644    1.8612   -0.2122 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3182   -0.5194   -0.1780 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5867   -0.2352    0.0713 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7679    0.7374    0.0732 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3863    0.8813    0.1992 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4869   -1.6324   -0.3029 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1052   -1.4887   -0.1768 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6958   -0.8173   -0.4025 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1002   -0.9435   -0.5139 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7945   -0.7081   -0.3169 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1144   -0.0815    0.2066 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1772   -0.6331   -0.4758 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1059   -1.6217    0.4941 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6302   -1.7416    0.4975 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6176   -0.1825   -1.3473 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4217    0.7340    0.3031 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4240   -0.3637    0.3949 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2978    1.8238   -0.4142 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0864    0.7283   -0.1269 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9311    1.8493    0.3903 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8976   -2.6202   -0.4949 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4810   -2.3730   -0.2635 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3279   -0.4699    0.6094 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0253   -1.7640   -0.5100 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1975   -0.1710   -1.1819 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6878   -1.5484   -0.1551 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4848   -0.4374   -1.5092 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6671   -2.1926    1.2244 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1896    0.4379   -2.1221 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9599   -1.2711    0.6520 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7296    2.7289   -0.8276 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.1542    0.7261   -0.2994 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 21  1  0  0  0  0
  1 25  1  0  0  0  0
  2 18  1  0  0  0  0
  2 20  1  0  0  0  0
  3 17  1  0  0  0  0
  3 24  1  0  0  0  0
  4 20  2  0  0  0  0
  5 23  2  0  0  0  0
  6  8  1  0  0  0  0
  7  8  2  0  0  0  0
  8 13  1  0  0  0  0
  9 25  1  0  0  0  0
  9 26  2  0  0  0  0
 10 25  2  0  0  0  0
 10 27  1  0  0  0  0
 11 13  2  0  0  0  0
 11 15  1  0  0  0  0
 11 19  1  0  0  0  0
 12 14  2  0  0  0  0
 12 16  1  0  0  0  0
 12 20  1  0  0  0  0
 13 14  1  0  0  0  0
 14 29  1  0  0  0  0
 15 16  2  0  0  0  0
 15 30  1  0  0  0  0
 16 31  1  0  0  0  0
 17 21  1  0  0  0  0
 17 22  2  0  0  0  0
 18 23  1  0  0  0  0
 18 24  2  0  0  0  0
 19 32  1  0  0  0  0
 19 33  1  0  0  0  0
 19 34  1  0  0  0  0
 21 35  1  0  0  0  0
 21 36  1  0  0  0  0
 22 23  1  0  0  0  0
 22 37  1  0  0  0  0
 24 38  1  0  0  0  0
 26 28  1  0  0  0  0
 26 39  1  0  0  0  0
 27 28  2  0  0  0  0
 27 40  1  0  0  0  0
 28 41  1  0  0  0  0
M  CHG  2   6  -1   8   1
M  END

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