graphkit-learn/datasets/PAH/3-methylbenz[a]anthracene.ct

C19H14
 19 22
    3.8372   -3.8830    0.0000 C
    3.8333   -2.8830    0.0000 C
    2.8937   -2.3405    0.0000 C
    2.9021   -1.2555    0.0000 C
    3.8001   -0.7278    0.0000 C
    3.7841    0.3137    0.0000 C
    4.6501    0.8137    0.0000 C
    4.6501    1.8137    0.0000 C
    5.5601    2.3206    0.0000 C
    5.5681    3.3622    0.0000 C
    4.6660    3.8830    0.0000 C
    3.7680    3.3552    0.0000 C
    3.7841    2.3137    0.0000 C
    2.9180    1.8137    0.0000 C
    2.9180    0.8137    0.0000 C
    2.0080    0.3069    0.0000 C
    2.0000   -0.7347    0.0000 C
    4.7520   -1.2484    0.0000 C
    4.7688   -2.3333    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
   6   15    5    5
  15   16    5    5
  16   17    5    5
   4   17    5    5
   5   18    5    5
  18   19    5    5
   2   19    5    5