graphkit-learn/datasets/PAH/picene.ct

C22H14
 22 26
    2.9562   -0.4818    0.0000 C
    2.0084   -1.0098    0.0000 C
    2.0000   -2.0947    0.0000 C
    2.9396   -2.6372    0.0000 C
    3.8751   -2.0875    0.0000 C
    4.7771   -2.6083    0.0000 C
    5.6752   -2.0806    0.0000 C
    5.6591   -1.0391    0.0000 C
    6.5251   -0.5391    0.0000 C
    7.4191   -1.0737    0.0000 C
    8.3251   -0.5599    0.0000 C
    8.3251    0.4818    0.0000 C
    9.2689    1.0170    0.0000 C
    9.2689    2.1020    0.0000 C
    8.3251    2.6372    0.0000 C
    7.3940    2.0803    0.0000 C
    7.4191    0.9956    0.0000 C
    6.5251    0.4609    0.0000 C
    5.6591    0.9609    0.0000 C
    4.7931    0.4609    0.0000 C
    4.7931   -0.5391    0.0000 C
    3.8831   -1.0459    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
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   9   18    5    5
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  19   20    5    5
  20   21    5    5
   8   21    5    5
  21   22    5    5
   5   22    5    5
   1   22    5    5