graphkit-learn/datasets/PAH/3-methylbenzo[a]pyrene.ct

C21H14
 21 25
    5.6147   -3.2397    0.0000 C
    4.7274   -2.7786    0.0000 C
    4.6772   -1.7380    0.0000 C
    5.5230   -1.2201    0.0000 C
    5.5095   -0.2285    0.0000 C
    4.6501    0.2663    0.0000 C
    4.6501    1.2663    0.0000 C
    3.7841    1.7663    0.0000 C
    2.9180    1.2663    0.0000 C
    2.9180    0.2663    0.0000 C
    2.0080   -0.2406    0.0000 C
    2.0000   -1.2822    0.0000 C
    2.9021   -1.8030    0.0000 C
    2.9282   -2.8445    0.0000 C
    3.8470   -3.3355    0.0000 C
    3.8001   -1.2752    0.0000 C
    3.7841   -0.2337    0.0000 C
    2.0080    1.7731    0.0000 C
    2.0000    2.8147    0.0000 C
    2.9021    3.3355    0.0000 C
    3.8001    2.8078    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
  14   15    5    5
   2   15    5    5
  13   16    5    5
   3   16    5    5
  16   17    5    5
  10   17    5    5
   6   17    5    5
   9   18    5    5
  18   19    5    5
  19   20    5    5
  20   21    5    5
   8   21    5    5