graphkit-learn/datasets/PAH/4-methylchrysene.ct

C19H14
 19 22
    2.9176    1.2528    0.0000 C
    2.9061    0.2529    0.0000 C
    2.0000   -0.2609    0.0000 C
    2.0000   -1.3026    0.0000 C
    2.9061   -1.8164    0.0000 C
    3.8000   -1.2818    0.0000 C
    4.6660   -1.7818    0.0000 C
    5.5321   -1.2818    0.0000 C
    5.5321   -0.2818    0.0000 C
    6.4421    0.2251    0.0000 C
    7.3689   -0.3390    0.0000 C
    8.3168    0.1890    0.0000 C
    8.3251    1.2739    0.0000 C
    7.3855    1.8164    0.0000 C
    6.4501    1.2667    0.0000 C
    5.5480    1.7875    0.0000 C
    4.6500    1.2598    0.0000 C
    4.6660    0.2182    0.0000 C
    3.8000   -0.2818    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
  10   15    5    5
  15   16    5    5
  16   17    5    5
  17   18    5    5
   9   18    5    5
  18   19    5    5
   2   19    5    5
   6   19    5    5