graphkit-learn/datasets/PAH/dibenz[a,c]anthracene.ct

C22H14
 22 26
    6.5003   -0.2174    0.0000 C
    7.4063    0.2965    0.0000 C
    7.4063    1.3381    0.0000 C
    6.5003    1.8520    0.0000 C
    5.6063    1.3173    0.0000 C
    5.6063    0.3173    0.0000 C
    4.7403   -0.1827    0.0000 C
    4.7564   -1.2242    0.0000 C
    3.8583   -1.7520    0.0000 C
    3.8751   -2.8368    0.0000 C
    2.9396   -3.3866    0.0000 C
    2.0000   -2.8441    0.0000 C
    2.0084   -1.7591    0.0000 C
    2.9562   -1.2312    0.0000 C
    2.9643   -0.1896    0.0000 C
    3.8743    0.3173    0.0000 C
    3.8743    1.3173    0.0000 C
    4.7403    1.8173    0.0000 C
    4.7564    2.8588    0.0000 C
    3.8583    3.3866    0.0000 C
    2.9562    2.8657    0.0000 C
    2.9643    1.8241    0.0000 C
   1    2    5    5
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