graphkit-learn/datasets/PAH/benzo[a]naphthacene.ct

C22H14
 22 26
    4.7520   -2.5657    0.0000 C
    4.7688   -3.6506    0.0000 C
    3.8333   -4.2003    0.0000 C
    2.8937   -3.6578    0.0000 C
    2.9021   -2.5728    0.0000 C
    3.8001   -2.0451    0.0000 C
    3.7841   -1.0036    0.0000 C
    4.6501   -0.5036    0.0000 C
    4.6501    0.4964    0.0000 C
    5.5601    1.0033    0.0000 C
    5.5681    2.0449    0.0000 C
    6.5160    2.5728    0.0000 C
    6.5244    3.6578    0.0000 C
    5.5847    4.2003    0.0000 C
    4.6493    3.6506    0.0000 C
    4.6660    2.5657    0.0000 C
    3.7680    2.0379    0.0000 C
    3.7841    0.9964    0.0000 C
    2.9180    0.4964    0.0000 C
    2.9180   -0.5036    0.0000 C
    2.0080   -1.0104    0.0000 C
    2.0000   -2.0520    0.0000 C
   1    2    5    5
   2    3    5    5
   3    4    5    5
   4    5    5    5
   5    6    5    5
   1    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
  11   16    5    5
  16   17    5    5
  17   18    5    5
   9   18    5    5
  18   19    5    5
  19   20    5    5
   7   20    5    5
  20   21    5    5
  21   22    5    5
   5   22    5    5