B8W6KN
  -OEChem-04012113543D

 49 52  0     1  0  0  0  0  0999 V2000
    2.0671    1.5479    0.9373 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2758   -0.4122   -0.1703 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2978   -1.7134    0.3784 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9765   -2.5366   -2.0878 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3605   -0.0204    0.6516 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8765   -2.1857   -0.1691 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1200    3.0890    2.6980 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9547   -2.7848   -1.0724 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.5708   -3.4590    0.1615 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2691   -1.4679   -0.6881 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5180   -3.6435    1.2548 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8332   -2.3217    1.5944 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0049   -1.3295    0.2758 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6565    0.9069    1.1460 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6839    0.4330    0.5856 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6604   -0.5663    0.0516 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1735   -1.7740   -0.2689 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2668    1.7148    0.0373 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0468   -0.2083   -0.0890 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2573    2.6583    0.2917 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8165    1.4974   -1.2617 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5919    1.0651   -0.3538 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1040   -1.0746    0.0149 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8029    3.3916   -0.7621 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3620    2.2307   -2.3157 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3551    3.1776   -2.0658 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9554    0.8893   -0.3942 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7336    2.8962    1.6201 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2068   -3.4644   -1.5005 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9925   -4.4345   -0.1091 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3957   -2.8508    0.5554 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7704   -1.0608   -1.5746 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0049   -0.7289   -0.3479 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9843   -4.0623    2.1534 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7672   -4.3669    0.9129 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5526   -1.6397    2.0626 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0342   -2.5010    2.3233 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5595   -2.0551   -2.8837 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6859   -1.9052   -1.7173 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1823    1.5911    1.8603 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4363    0.3644    1.6857 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8332   -2.5405   -0.6662 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0456    0.7853   -1.5316 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0819    2.0037   -0.5172 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2008   -2.1337    0.2094 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5779    4.1336   -0.5848 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0132    2.0657   -3.3310 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7795    3.7485   -2.8864 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7900    1.5531   -0.5664 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 15  2  0  0  0  0
  2 23  1  0  0  0  0
  2 27  1  0  0  0  0
  3 10  1  0  0  0  0
  3 12  1  0  0  0  0
  3 13  1  0  0  0  0
  4  8  1  0  0  0  0
  4 38  1  0  0  0  0
  4 39  1  0  0  0  0
  5 13  1  0  0  0  0
  5 14  1  0  0  0  0
  5 15  1  0  0  0  0
  6 13  2  0  0  0  0
  6 17  1  0  0  0  0
  7 28  3  0  0  0  0
  8  9  1  0  0  0  0
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  8 29  1  0  0  0  0
  9 11  1  0  0  0  0
  9 30  1  0  0  0  0
  9 31  1  0  0  0  0
 10 32  1  0  0  0  0
 10 33  1  0  0  0  0
 11 12  1  0  0  0  0
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 11 35  1  0  0  0  0
 12 36  1  0  0  0  0
 12 37  1  0  0  0  0
 14 18  1  0  0  0  0
 14 40  1  0  0  0  0
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 15 16  1  0  0  0  0
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 19 22  1  0  0  0  0
 19 23  2  0  0  0  0
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 24 26  1  0  0  0  0
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 25 26  2  0  0  0  0
 25 47  1  0  0  0  0
 26 48  1  0  0  0  0
 27 49  1  0  0  0  0
M  END

$$$$