graphkit-learn/datasets/PAH/6,12-dimethylanthanthrene.ct

C24H16
 24 29
    6.4769   -1.7196    0.0000 C
    3.8595    1.7816    0.0000 C
    7.3206    1.7988    0.0000 C
    7.3227   -1.2018    0.0000 C
    8.1917    0.2837    0.0000 C
    2.8847   -1.7620    0.0000 C
    2.9940    1.2974    0.0000 C
    2.0421   -0.1709    0.0000 C
    8.1974    1.2950    0.0000 C
    2.0000   -1.2118    0.0000 C
    4.7056   -2.7846    0.0000 C
    5.5837    2.7846    0.0000 C
    4.7018   -1.7846    0.0000 C
    5.5837    1.7846    0.0000 C
    5.5998   -1.2569    0.0000 C
    4.7177    1.2846    0.0000 C
    6.4498    1.2846    0.0000 C
    7.3092   -0.2101    0.0000 C
    3.7997   -1.2638    0.0000 C
    2.9684    0.3060    0.0000 C
    5.5837   -0.2154    0.0000 C
    4.7177    0.2846    0.0000 C
    6.4498    0.2846    0.0000 C
    3.8077   -0.2222    0.0000 C
  21   22    5    5
  21   23    5    5
  15   21    5    5
  22   24    5    5
  16   22    5    5
  17   23    5    5
  18   23    5    5
  13   15    5    5
   1   15    5    5
  19   24    5    5
  20   24    5    5
  14   16    5    5
   2   16    5    5
   3   17    5    5
   4   18    5    5
   5   18    5    5
  11   13    5    5
   6   19    5    5
   7   20    5    5
   8   20    5    5
  12   14    5    5
   3    9    5    5
   6   10    5    5
  14   17    5    5
  13   19    5    5
   1    4    5    5
   2    7    5    5
   5    9    5    5
   8   10    5    5