graphkit-learn/datasets/PAH/benzo[e]pyrene.ct

C20H12
 20 24
    6.3408   -0.9948    0.0000 C
    6.3543   -1.9864    0.0000 C
    5.5085   -2.5043    0.0000 C
    4.6314   -2.0415    0.0000 C
    3.7334   -2.5693    0.0000 C
    2.8313   -2.0484    0.0000 C
    2.8393   -1.0068    0.0000 C
    2.0000   -0.4786    0.0000 C
    2.0256    0.5128    0.0000 C
    2.8911    0.9969    0.0000 C
    3.7493    0.5000    0.0000 C
    4.6153    1.0000    0.0000 C
    5.4814    0.5000    0.0000 C
    5.4814   -0.5000    0.0000 C
    4.6153   -1.0000    0.0000 C
    3.7493   -0.5000    0.0000 C
    6.3914    1.0068    0.0000 C
    6.3994    2.0484    0.0000 C
    5.4973    2.5693    0.0000 C
    4.5993    2.0415    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
   8    9    5    5
   9   10    5    5
  10   11    5    5
  11   12    5    5
  12   13    5    5
  13   14    5    5
   1   14    5    5
  14   15    5    5
   4   15    5    5
  15   16    5    5
  11   16    5    5
   7   16    5    5
  13   17    5    5
  17   18    5    5
  18   19    5    5
  19   20    5    5
  12   20    5    5