graphkit-learn/datasets/PAH/dibenzo[e,l]pyrene.ct

C24H14
 24 29
    2.1250    0.3387    0.0000 C
    2.1506    1.3301    0.0000 C
    3.0161    1.8142    0.0000 C
    3.8743    1.3173    0.0000 C
    4.7403    1.8173    0.0000 C
    5.6063    1.3173    0.0000 C
    5.6063    0.3173    0.0000 C
    6.4658   -0.1775    0.0000 C
    6.4792   -1.1691    0.0000 C
    5.6335   -1.6870    0.0000 C
    4.7564   -1.2242    0.0000 C
    3.8583   -1.7520    0.0000 C
    2.9562   -1.2312    0.0000 C
    2.9643   -0.1896    0.0000 C
    3.8743    0.3173    0.0000 C
    4.7403   -0.1827    0.0000 C
    2.0084   -1.7591    0.0000 C
    2.0000   -2.8441    0.0000 C
    2.9396   -3.3866    0.0000 C
    3.8751   -2.8368    0.0000 C
    6.5163    1.8241    0.0000 C
    6.5244    2.8657    0.0000 C
    5.6223    3.3866    0.0000 C
    4.7242    2.8588    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
   1   14    5    5
  14   15    5    5
   4   15    5    5
  15   16    5    5
  11   16    5    5
   7   16    5    5
  13   17    5    5
  17   18    5    5
  18   19    5    5
  19   20    5    5
  12   20    5    5
   6   21    5    5
  21   22    5    5
  22   23    5    5
  23   24    5    5
   5   24    5    5