graphkit-learn/datasets/PAH/5-methylchrysene.ct

C19H14
 19 22
    2.0000    0.1863    0.0000 C
    2.8660   -0.3137    0.0000 C
    3.7321    0.1863    0.0000 C
    3.7160    1.2278    0.0000 C
    2.7641    1.7484    0.0000 C
    2.7473    2.8333    0.0000 C
    3.6828    3.3830    0.0000 C
    4.6224    2.8405    0.0000 C
    4.6140    1.7555    0.0000 C
    5.5161    1.2347    0.0000 C
    5.5081    0.1931    0.0000 C
    4.5981   -0.3137    0.0000 C
    4.5981   -1.3137    0.0000 C
    5.5081   -1.8206    0.0000 C
    5.5161   -2.8622    0.0000 C
    4.6140   -3.3830    0.0000 C
    3.7160   -2.8552    0.0000 C
    3.7321   -1.8137    0.0000 C
    2.8660   -1.3137    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
   4    9    5    5
   9   10    5    5
  10   11    5    5
  11   12    5    5
   3   12    5    5
  12   13    5    5
  13   14    5    5
  14   15    5    5
  15   16    5    5
  16   17    5    5
  17   18    5    5
  13   18    5    5
  18   19    5    5
   2   19    5    5