graphkit-learn/datasets/PAH/6-methylanthanthrene.ct

C23H14
 23 28
    6.3408   -0.2032    0.0000 C
    2.8313   -1.2569    0.0000 C
    2.0000    0.3130    0.0000 C
    3.7594   -2.8192    0.0000 C
    6.3543   -1.1948    0.0000 C
    5.5587   -2.7533    0.0000 C
    4.6252    2.8028    0.0000 C
    2.0256    1.3043    0.0000 C
    2.8776    2.7997    0.0000 C
    4.6782   -3.3102    0.0000 C
    3.7505    3.3102    0.0000 C
    6.3474    1.7916    0.0000 C
    5.4814    1.2916    0.0000 C
    5.4814    0.2916    0.0000 C
    2.8393   -0.2153    0.0000 C
    3.7334   -1.7777    0.0000 C
    5.5085   -1.7127    0.0000 C
    4.6153    1.7916    0.0000 C
    2.8911    1.7885    0.0000 C
    4.6153   -0.2084    0.0000 C
    3.7493    0.2916    0.0000 C
    4.6314   -1.2499    0.0000 C
    3.7493    1.2916    0.0000 C
  20   21    5    5
  20   22    5    5
  14   20    5    5
  21   23    5    5
  15   21    5    5
  16   22    5    5
  17   22    5    5
  13   14    5    5
   1   14    5    5
  18   23    5    5
  19   23    5    5
   2   15    5    5
   3   15    5    5
   4   16    5    5
   5   17    5    5
   6   17    5    5
  12   13    5    5
   7   18    5    5
   8   19    5    5
   9   19    5    5
   4   10    5    5
   7   11    5    5
   2   16    5    5
  13   18    5    5
   1    5    5    5
   3    8    5    5
   6   10    5    5
   9   11    5    5