graphkit-learn/datasets/PAH/pentaphene.ct

C22H14
 22 26
    2.9438    0.4853    0.0000 C
    2.0000    1.0206    0.0000 C
    2.0000    2.1056    0.0000 C
    2.9438    2.6408    0.0000 C
    3.8749    2.0839    0.0000 C
    4.7810    2.5977    0.0000 C
    5.6750    2.0631    0.0000 C
    6.5410    2.5631    0.0000 C
    7.4070    2.0631    0.0000 C
    7.4070    1.0631    0.0000 C
    8.3170    0.5562    0.0000 C
    8.3250   -0.4854    0.0000 C
    9.2729   -1.0133    0.0000 C
    9.2813   -2.0983    0.0000 C
    8.3417   -2.6408    0.0000 C
    7.4062   -2.0911    0.0000 C
    7.4230   -1.0062    0.0000 C
    6.5249   -0.4784    0.0000 C
    6.5410    0.5631    0.0000 C
    5.6750    1.0631    0.0000 C
    4.7810    0.5284    0.0000 C
    3.8749    1.0422    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
  18   19    5    5
  10   19    5    5
  19   20    5    5
   7   20    5    5
  20   21    5    5
  21   22    5    5
   1   22    5    5
   5   22    5    5