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

C24H14
 24 29
    2.0057    0.3164    0.0000 C
    2.0000    1.3277    0.0000 C
    2.8768    1.8315    0.0000 C
    3.7476    1.3173    0.0000 C
    4.6136    1.8173    0.0000 C
    5.4797    1.3173    0.0000 C
    5.4797    0.3173    0.0000 C
    6.3897   -0.1896    0.0000 C
    6.3977   -1.2312    0.0000 C
    5.4956   -1.7520    0.0000 C
    4.5976   -1.2242    0.0000 C
    3.7205   -1.6870    0.0000 C
    2.8747   -1.1691    0.0000 C
    2.8881   -0.1775    0.0000 C
    3.7476    0.3173    0.0000 C
    4.6136   -0.1827    0.0000 C
    5.4789   -2.8368    0.0000 C
    6.4143   -3.3866    0.0000 C
    7.3539   -2.8441    0.0000 C
    7.3456   -1.7591    0.0000 C
    6.3897    1.8241    0.0000 C
    6.3977    2.8657    0.0000 C
    5.4956    3.3866    0.0000 C
    4.5976    2.8588    0.0000 C
   1    2    5    5
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