graphkit-learn/datasets/PAH/tribenzo[a,e,i]pyrene.ct

C28H16
 28 34
    7.4062   -2.8368    0.0000 C
    8.3417   -3.3866    0.0000 C
    9.2813   -2.8441    0.0000 C
    9.2729   -1.7591    0.0000 C
    8.3250   -1.2312    0.0000 C
    7.4230   -1.7520    0.0000 C
    6.5249   -1.2242    0.0000 C
    5.6902   -1.6818    0.0000 C
    4.8188   -1.2083    0.0000 C
    4.7810   -0.2174    0.0000 C
    3.8749    0.2965    0.0000 C
    3.8749    1.3381    0.0000 C
    4.7810    1.8520    0.0000 C
    5.6750    1.3173    0.0000 C
    6.5410    1.8173    0.0000 C
    7.4070    1.3173    0.0000 C
    7.4070    0.3173    0.0000 C
    8.3170   -0.1896    0.0000 C
    6.5410   -0.1827    0.0000 C
    5.6750    0.3173    0.0000 C
    8.3170    1.8241    0.0000 C
    8.3250    2.8657    0.0000 C
    7.4230    3.3866    0.0000 C
    6.5249    2.8588    0.0000 C
    2.9438    1.8950    0.0000 C
    2.0000    1.3598    0.0000 C
    2.0000    0.2748    0.0000 C
    2.9438   -0.2604    0.0000 C
   1    2    5    5
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