graphkit-learn/datasets/PAH/pyrene.ct

C16H10
 16 19
    2.0134    0.2101    0.0000 C
    2.0000    1.2018    0.0000 C
    2.8457    1.7196    0.0000 C
    3.7229    1.2569    0.0000 C
    4.6209    1.7846    0.0000 C
    5.5230    1.2638    0.0000 C
    5.5149    0.2222    0.0000 C
    6.3543   -0.3060    0.0000 C
    6.3286   -1.2974    0.0000 C
    5.4632   -1.7816    0.0000 C
    4.6049   -1.2846    0.0000 C
    3.7389   -1.7846    0.0000 C
    2.8729   -1.2846    0.0000 C
    2.8729   -0.2846    0.0000 C
    3.7389    0.2154    0.0000 C
    4.6049   -0.2846    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
   1   14    5    5
  14   15    5    5
   4   15    5    5
  15   16    5    5
   7   16    5    5
  11   16    5    5