graphkit-learn/datasets/PAH/anthanthrene.ct

C22H12
 22 27
    2.8776    2.7997    0.0000 C
    3.7505    3.3102    0.0000 C
    4.6252    2.8028    0.0000 C
    5.4814    1.2916    0.0000 C
    6.3408   -0.2032    0.0000 C
    6.3543   -1.1948    0.0000 C
    2.0256    1.3043    0.0000 C
    2.0000    0.3130    0.0000 C
    2.8313   -1.2569    0.0000 C
    5.5587   -2.7533    0.0000 C
    4.6782   -3.3102    0.0000 C
    3.7594   -2.8192    0.0000 C
    2.8911    1.7885    0.0000 C
    4.6153    1.7916    0.0000 C
    5.4814    0.2916    0.0000 C
    5.5085   -1.7127    0.0000 C
    2.8393   -0.2153    0.0000 C
    3.7334   -1.7777    0.0000 C
    3.7493    1.2916    0.0000 C
    4.6153   -0.2084    0.0000 C
    3.7493    0.2916    0.0000 C
    4.6314   -1.2499    0.0000 C
   1   13    5    5
   1    2    5    5
  13   19    5    5
   7   13    5    5
   2    3    5    5
   3   14    5    5
   4   14    5    5
  14   19    5    5
   4   15    5    5
  19   21    5    5
  15   20    5    5
   5   15    5    5
  20   21    5    5
  20   22    5    5
   5    6    5    5
   6   16    5    5
  16   22    5    5
  10   16    5    5
   7    8    5    5
  17   21    5    5
   8   17    5    5
   9   17    5    5
  18   22    5    5
   9   18    5    5
  12   18    5    5
  10   11    5    5
  11   12    5    5