graphkit-learn/datasets/PAH/2-methylpyrene.ct

C17H12
 17 20
    7.1847   -1.7995    0.0000 C
    6.3286   -1.2825    0.0000 C
    5.4632   -1.7667    0.0000 C
    4.6049   -1.2698    0.0000 C
    3.7389   -1.7698    0.0000 C
    2.8729   -1.2698    0.0000 C
    2.8729   -0.2698    0.0000 C
    2.0134    0.2250    0.0000 C
    2.0000    1.2166    0.0000 C
    2.8457    1.7345    0.0000 C
    3.7229    1.2717    0.0000 C
    4.6209    1.7995    0.0000 C
    5.5230    1.2787    0.0000 C
    5.5149    0.2371    0.0000 C
    6.3543   -0.2912    0.0000 C
    4.6049   -0.2698    0.0000 C
    3.7389    0.2302    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
   4   16    5    5
  16   17    5    5
  11   17    5    5
   7   17    5    5