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

C24H14
 24 29
    3.8001    3.6398    0.0000 C
    2.9021    4.1676    0.0000 C
    2.0000    3.6468    0.0000 C
    2.0080    2.6052    0.0000 C
    2.9180    2.0983    0.0000 C
    3.7841    2.5983    0.0000 C
    4.6501    2.0983    0.0000 C
    4.6501    1.0983    0.0000 C
    5.5601    0.5915    0.0000 C
    5.5681   -0.4501    0.0000 C
    4.6660   -0.9709    0.0000 C
    4.6400   -2.0124    0.0000 C
    3.7211   -2.5035    0.0000 C
    2.8407   -1.9465    0.0000 C
    2.8909   -0.9059    0.0000 C
    2.0451   -0.3881    0.0000 C
    2.0586    0.6036    0.0000 C
    2.9180    1.0983    0.0000 C
    3.7841    0.5983    0.0000 C
    3.7680   -0.4432    0.0000 C
    3.6689   -3.5874    0.0000 C
    4.5860   -4.1676    0.0000 C
    5.5430   -3.6561    0.0000 C
    5.5702   -2.5712    0.0000 C
   1    2    5    5
   2    3    5    5
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   5    6    5    5
   1    6    5    5
   6    7    5    5
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  22   23    5    5
  23   24    5    5
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