B2BF9I
  -OEChem-04022107263D

 40 41  0     1  0  0  0  0  0999 V2000
    2.1093    2.4823   -0.3409 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7846   -2.2136    0.3166 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.5568    0.0064   -0.2946 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4482    1.0151    2.9769 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1907   -0.7257   -1.5067 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9658   -0.3140   -0.0685 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3949   -0.5114   -2.4118 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5608   -0.2373   -1.4667 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7180   -0.3451    0.8416 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.2413   -0.1754    0.5376 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6080   -1.2814    0.5649 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2673    1.0871    0.2332 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1262    0.4178    2.0353 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6255    1.2438   -0.0437 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9661   -1.1249    0.2879 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4749    0.1376   -0.0165 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1741    3.5590   -0.3473 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1845   -3.4674    0.6364 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2057    0.1568   -1.6474 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0650   -1.7996   -1.3156 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2832   -0.3451   -1.9861 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4644    0.3939    0.6015 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0993   -1.3283    0.3300 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5827   -1.3853   -3.0439 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2402    0.3523   -3.0691 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9691    0.7612   -1.6625 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3697   -0.9629   -1.5997 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8852   -1.4050    1.0856 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1600   -2.2391    0.8062 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4364    1.9126    0.2233 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7310    4.4670   -0.6015 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7385    3.7220    0.6445 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4118    3.4274   -1.1228 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9801   -4.2196    0.6140 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4458   -3.7653   -0.1155 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7734   -3.4714    1.6516 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2878    0.3049   -1.7002 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7186    0.9142   -2.2696 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9713   -0.8444   -2.0225 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 15  1  0  0  0  0
  1 18  1  0  0  0  0
  2 16  1  0  0  0  0
  2 19  1  0  0  0  0
  3 17  1  0  0  0  0
  3 20  1  0  0  0  0
  4  6  1  0  0  0  0
  4  7  1  0  0  0  0
  4 10  1  0  0  0  0
  5 14  3  0  0  0  0
  6  8  1  0  0  0  0
  6 21  1  0  0  0  0
  6 22  1  0  0  0  0
  7  9  1  0  0  0  0
  7 23  1  0  0  0  0
  7 24  1  0  0  0  0
  8  9  1  0  0  0  0
  8 25  1  0  0  0  0
  8 26  1  0  0  0  0
  9 27  1  0  0  0  0
  9 28  1  0  0  0  0
 10 11  1  0  0  0  0
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 10 29  1  0  0  0  0
 11 12  2  0  0  0  0
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 12 30  1  0  0  0  0
 13 15  2  0  0  0  0
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 15 17  1  0  0  0  0
 16 17  2  0  0  0  0
 18 32  1  0  0  0  0
 18 33  1  0  0  0  0
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 19 37  1  0  0  0  0
 20 38  1  0  0  0  0
 20 39  1  0  0  0  0
 20 40  1  0  0  0  0
M  END

$$$$