BK13DG
  -OEChem-04012114283D

 50 50  0     1  0  0  0  0  0999 V2000
    0.2795   -0.8578   -1.1190 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4083    1.2624    1.6681 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6324    2.7563   -0.4316 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.9160   -0.8295   -0.2921 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5123    0.4553    0.2675 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4082    1.3057    2.8238 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7666    2.6099   -2.4388 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8790   -3.4751   -0.4596 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2873   -0.4332    1.5244 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6030   -0.1310   -0.9287 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0497    1.2252    0.3940 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.6734   -0.1585    0.1814 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.0318    1.5306   -0.7104 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.9660    0.3880   -0.9532 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.5782   -1.2155   -0.0347 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.0987    0.2699    0.0665 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9462    0.1750   -0.7859 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2174    1.0351    2.7450 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5087    3.1799   -1.3872 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3435   -3.5253   -0.4742 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6789    0.1563   -2.1007 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4283    0.3922    3.8451 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1292    4.4757   -0.9609 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9863   -1.0750    0.5270 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1291   -4.7785   -0.7158 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7556   -2.2603    0.0281 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8107    2.0170    0.3865 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2594   -0.4794    1.0493 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6131    1.6654   -1.6343 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4502    0.5055   -1.9252 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0137   -1.3174    0.8830 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7063    1.1808    0.0812 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7133    0.0941    1.0746 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2320   -0.2918   -1.8610 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4221   -0.7434   -2.6672 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4070    1.0422   -2.6809 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7575    0.1596   -1.9209 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0794    0.2226    4.7073 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0394   -0.5714    3.5068 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3883    1.0517    4.1494 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6779    4.3334   -0.0265 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3539    5.2364   -0.8409 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8313    4.8117   -1.7293 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4405   -5.6131   -0.8757 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7495   -5.0007    0.1561 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7476   -4.6614   -1.6091 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6055   -2.4468    0.6909 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1133   -3.1445    0.0278 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1346   -2.0591   -0.9769 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 15  1  0  0  0  0
  1 16  1  0  0  0  0
  2 12  1  0  0  0  0
  2 19  1  0  0  0  0
  3 14  1  0  0  0  0
  3 20  1  0  0  0  0
  4 16  1  0  0  0  0
  4 21  1  0  0  0  0
  5 17  1  0  0  0  0
  5 25  1  0  0  0  0
  6 18  2  0  0  0  0
  7 19  2  0  0  0  0
  8 20  2  0  0  0  0
  9 21  2  0  0  0  0
 10 25  2  0  0  0  0
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 11 18  1  0  0  0  0
 11 35  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 12 28  1  0  0  0  0
 13 16  1  0  0  0  0
 13 29  1  0  0  0  0
 14 15  1  0  0  0  0
 14 30  1  0  0  0  0
 15 17  1  0  0  0  0
 15 31  1  0  0  0  0
 16 32  1  0  0  0  0
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 25 27  1  0  0  0  0
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 26 47  1  0  0  0  0
 27 48  1  0  0  0  0
 27 49  1  0  0  0  0
 27 50  1  0  0  0  0
M  END

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