graphkit-learn/datasets/PAH/benzo[b]chrysene.ct

C22H14
 22 26
    9.2605   -1.8380    0.0000 C
    8.3250   -1.2882    0.0000 C
    7.4230   -1.8090    0.0000 C
    6.5249   -1.2813    0.0000 C
    6.5410   -0.2398    0.0000 C
    5.6750    0.2602    0.0000 C
    4.7810   -0.2744    0.0000 C
    3.8749    0.2394    0.0000 C
    3.8749    1.2810    0.0000 C
    4.7810    1.7949    0.0000 C
    5.6750    1.2602    0.0000 C
    6.5410    1.7602    0.0000 C
    7.4070    1.2602    0.0000 C
    7.4070    0.2602    0.0000 C
    8.3170   -0.2466    0.0000 C
    9.2438    0.3175    0.0000 C
   10.1917   -0.2105    0.0000 C
   10.2001   -1.2955    0.0000 C
    2.9438    1.8380    0.0000 C
    2.0000    1.3027    0.0000 C
    2.0000    0.2177    0.0000 C
    2.9438   -0.3175    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
   6   11    5    5
  11   12    5    5
  12   13    5    5
  13   14    5    5
   5   14    5    5
  14   15    5    5
   2   15    5    5
  15   16    5    5
  16   17    5    5
  17   18    5    5
   1   18    5    5
   9   19    5    5
  19   20    5    5
  20   21    5    5
  21   22    5    5
   8   22    5    5