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

C22H14
 22 26
    2.0000    1.8163    0.0000 C
    2.9438    1.2810    0.0000 C
    2.9438    0.2394    0.0000 C
    3.8499   -0.2744    0.0000 C
    4.7438    0.2602    0.0000 C
    5.6098   -0.2398    0.0000 C
    5.5938   -1.2813    0.0000 C
    6.4918   -1.8090    0.0000 C
    7.3939   -1.2882    0.0000 C
    7.3858   -0.2466    0.0000 C
    6.4758    0.2602    0.0000 C
    6.4758    1.2602    0.0000 C
    5.6098    1.7602    0.0000 C
    4.7438    1.2602    0.0000 C
    3.8499    1.7949    0.0000 C
    3.8749    2.8796    0.0000 C
    2.9438    3.4365    0.0000 C
    2.0000    2.9013    0.0000 C
    6.5002   -2.8940    0.0000 C
    5.5605   -3.4365    0.0000 C
    4.6251   -2.8868    0.0000 C
    4.6418   -1.8019    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
   8   19    5    5
  19   20    5    5
  20   21    5    5
  21   22    5    5
   7   22    5    5