graphkit-learn/datasets/PAH/1-methylbenzo[c]phenanthrene.ct

C19H14
 19 22
    2.9176   -0.4536    0.0000 C
    2.9061    0.5464    0.0000 C
    2.0000    1.0602    0.0000 C
    2.0000    2.1018    0.0000 C
    2.9061    2.6157    0.0000 C
    3.8000    2.0810    0.0000 C
    4.6660    2.5810    0.0000 C
    5.5321    2.0810    0.0000 C
    5.5321    1.0810    0.0000 C
    6.4421    0.5742    0.0000 C
    6.4501   -0.4674    0.0000 C
    5.5480   -0.9882    0.0000 C
    5.5564   -2.0732    0.0000 C
    4.6167   -2.6157    0.0000 C
    3.6813   -2.0660    0.0000 C
    3.6980   -0.9811    0.0000 C
    4.6500   -0.4605    0.0000 C
    4.6660    0.5810    0.0000 C
    3.8000    1.0810    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
  14   15    5    5
  15   16    5    5
  16   17    5    5
  12   17    5    5
  17   18    5    5
   9   18    5    5
  18   19    5    5
   6   19    5    5
   2   19    5    5