graphkit-learn/datasets/PAH/benzo[g,h,i]perylene.ct

C22H12
 22 27
    3.7334   -2.5440    0.0000 C
    5.5085   -2.4790    0.0000 C
    2.8313   -2.0231    0.0000 C
    2.0000   -0.4533    0.0000 C
    6.3522    1.0395    0.0000 C
    6.3543   -1.9611    0.0000 C
    7.2233   -0.4756    0.0000 C
    4.6252    2.0365    0.0000 C
    2.0256    0.5381    0.0000 C
    2.8776    2.0334    0.0000 C
    7.2290    0.5357    0.0000 C
    3.7505    2.5440    0.0000 C
    4.6314   -2.0162    0.0000 C
    2.8393   -0.9815    0.0000 C
    5.4814    0.5253    0.0000 C
    6.3408   -0.9695    0.0000 C
    4.6153    1.0253    0.0000 C
    2.8911    1.0222    0.0000 C
    4.6153   -0.9747    0.0000 C
    3.7493   -0.4747    0.0000 C
    5.4814   -0.4747    0.0000 C
    3.7493    0.5253    0.0000 C
  19   20    5    5
  19   21    5    5
  13   19    5    5
  20   22    5    5
  14   20    5    5
  15   21    5    5
  16   21    5    5
   1   13    5    5
   2   13    5    5
  17   22    5    5
  18   22    5    5
   3   14    5    5
   4   14    5    5
   5   15    5    5
   6   16    5    5
   7   16    5    5
   8   17    5    5
   9   18    5    5
  10   18    5    5
   5   11    5    5
   8   12    5    5
  15   17    5    5
   1    3    5    5
   2    6    5    5
   4    9    5    5
   7   11    5    5
  10   12    5    5