graphkit-learn/datasets/PAH/5,8-dimethylbenzo[c]phenanthrene.ct

C20H16
 20 23
    4.6660    3.0984    0.0000 C
    4.6660    2.0984    0.0000 C
    5.5321    1.5984    0.0000 C
    5.5321    0.5984    0.0000 C
    6.4421    0.0915    0.0000 C
    6.4501   -0.9501    0.0000 C
    5.5480   -1.4709    0.0000 C
    5.5564   -2.5559    0.0000 C
    4.6167   -3.0984    0.0000 C
    3.6813   -2.5486    0.0000 C
    3.6980   -1.4638    0.0000 C
    4.6500   -0.9431    0.0000 C
    4.6660    0.0984    0.0000 C
    3.8000    0.5984    0.0000 C
    3.8000    1.5984    0.0000 C
    2.9061    2.1330    0.0000 C
    2.0000    1.6192    0.0000 C
    2.0000    0.5775    0.0000 C
    2.9061    0.0637    0.0000 C
    7.3180   -1.4467    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
   7   12    5    5
  12   13    5    5
   4   13    5    5
  13   14    5    5
  14   15    5    5
   2   15    5    5
  15   16    5    5
  16   17    5    5
  17   18    5    5
  18   19    5    5
  14   19    5    5
   6   20    5    5