graphkit-learn/datasets/PAH/naphtho(2,3-a)pyrene.ct

C24H14
 24 29
    3.8844   -3.6618    0.0000 C
    4.8032   -4.1528    0.0000 C
    5.6836   -3.5959    0.0000 C
    5.6335   -2.5553    0.0000 C
    6.4792   -2.0374    0.0000 C
    6.4658   -1.0458    0.0000 C
    5.6063   -0.5510    0.0000 C
    5.6063    0.4490    0.0000 C
    4.7403    0.9490    0.0000 C
    3.8743    0.4490    0.0000 C
    3.8743   -0.5510    0.0000 C
    2.9643   -1.0579    0.0000 C
    2.9562   -2.0995    0.0000 C
    3.8583   -2.6203    0.0000 C
    4.7564   -2.0925    0.0000 C
    4.7403   -1.0510    0.0000 C
    2.9643    0.9558    0.0000 C
    2.9562    1.9974    0.0000 C
    2.0084    2.5254    0.0000 C
    2.0000    3.6103    0.0000 C
    2.9396    4.1528    0.0000 C
    3.8751    3.6031    0.0000 C
    3.8583    2.5183    0.0000 C
    4.7564    1.9905    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
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   9   10    5    5
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   1   14    5    5
  14   15    5    5
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  22   23    5    5
  18   23    5    5
  23   24    5    5
   9   24    5    5