graphkit-learn/datasets/PAH/11-methylbenz[a]anthracene.ct

C19H14
 19 22
    6.4203    1.3106    0.0000 C
    5.5601    1.8206    0.0000 C
    5.5681    2.8622    0.0000 C
    4.6660    3.3830    0.0000 C
    3.7680    2.8552    0.0000 C
    3.7841    1.8137    0.0000 C
    2.9180    1.3137    0.0000 C
    2.9180    0.3137    0.0000 C
    2.0080   -0.1931    0.0000 C
    2.0000   -1.2347    0.0000 C
    2.9021   -1.7555    0.0000 C
    3.8001   -1.2278    0.0000 C
    3.7841   -0.1863    0.0000 C
    4.6501    0.3137    0.0000 C
    4.6501    1.3137    0.0000 C
    4.7520   -1.7484    0.0000 C
    4.7688   -2.8333    0.0000 C
    3.8333   -3.3830    0.0000 C
    2.8937   -2.8405    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
   8   13    5    5
  13   14    5    5
  14   15    5    5
   2   15    5    5
   6   15    5    5
  12   16    5    5
  16   17    5    5
  17   18    5    5
  18   19    5    5
  11   19    5    5