graphkit-learn/datasets/PAH/dibenzo[c,g]phenanthrene.ct

C22H14
 22 26
    2.9438    2.1018    0.0000 C
    3.8499    2.6157    0.0000 C
    4.7438    2.0810    0.0000 C
    5.6098    2.5810    0.0000 C
    6.4758    2.0810    0.0000 C
    6.4758    1.0810    0.0000 C
    7.3858    0.5742    0.0000 C
    7.3939   -0.4674    0.0000 C
    6.4918   -0.9882    0.0000 C
    5.5938   -0.4605    0.0000 C
    5.6098    0.5810    0.0000 C
    4.7438    1.0810    0.0000 C
    3.8499    0.5464    0.0000 C
    2.9438    1.0602    0.0000 C
    2.0000    0.5250    0.0000 C
    2.0000   -0.5600    0.0000 C
    2.9438   -1.0953    0.0000 C
    3.8749   -0.5383    0.0000 C
    4.6418   -0.9811    0.0000 C
    4.6251   -2.0660    0.0000 C
    5.5605   -2.6157    0.0000 C
    6.5002   -2.0732    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
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   3   12    5    5
  12   13    5    5
  13   14    5    5
   1   14    5    5
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  17   18    5    5
  13   18    5    5
  10   19    5    5
  19   20    5    5
  20   21    5    5
  21   22    5    5
   9   22    5    5