graphkit-learn/datasets/PAH/dibenzo[a,l]pyrene.ct

C24H14
 24 29
    3.8831    1.0213    0.0000 C
    3.8751    2.0629    0.0000 C
    4.7771    2.5837    0.0000 C
    5.6752    2.0560    0.0000 C
    5.6591    1.0145    0.0000 C
    6.5251    0.5145    0.0000 C
    7.3959    1.0286    0.0000 C
    8.2727    0.5248    0.0000 C
    8.2670   -0.4864    0.0000 C
    7.3846   -0.9803    0.0000 C
    7.3980   -1.9719    0.0000 C
    6.5523   -2.4898    0.0000 C
    5.6752   -2.0271    0.0000 C
    4.7771   -2.5548    0.0000 C
    3.8751   -2.0340    0.0000 C
    3.8831   -0.9924    0.0000 C
    4.7931   -0.4855    0.0000 C
    4.7931    0.5145    0.0000 C
    5.6591   -0.9855    0.0000 C
    6.5251   -0.4855    0.0000 C
    2.9562   -0.4283    0.0000 C
    2.0084   -0.9563    0.0000 C
    2.0000   -2.0412    0.0000 C
    2.9396   -2.5837    0.0000 C
   1    2    5    5
   2    3    5    5
   3    4    5    5
   4    5    5    5
   5    6    5    5
   6    7    5    5
   7    8    5    5
   8    9    5    5
   9   10    5    5
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  14   15    5    5
  15   16    5    5
  16   17    5    5
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   5   18    5    5
   1   18    5    5
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  16   21    5    5
  21   22    5    5
  22   23    5    5
  23   24    5    5
  15   24    5    5