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

C17H12
 17 20
    2.0000    1.0000    0.0000 C
    2.8660    0.5000    0.0000 C
    3.7321    1.0000    0.0000 C
    3.7308    1.9917    0.0000 C
    4.5829    2.4991    0.0000 C
    5.4542    2.0256    0.0000 C
    5.4920    1.0347    0.0000 C
    6.3981    0.5208    0.0000 C
    6.3981   -0.5208    0.0000 C
    5.4920   -1.0347    0.0000 C
    5.4542   -2.0256    0.0000 C
    4.5829   -2.4991    0.0000 C
    3.7308   -1.9917    0.0000 C
    3.7321   -1.0000    0.0000 C
    2.8660   -0.5000    0.0000 C
    4.5981   -0.5000    0.0000 C
    4.5981    0.5000    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
  14   16    5    5
  10   16    5    5
  16   17    5    5
   7   17    5    5
   3   17    5    5