graphkit-learn/datasets/PAH/5-methylbenz[a]anthracene.ct

C19H14
 19 22
    2.0000   -1.7314    0.0000 C
    2.8679   -1.2347    0.0000 C
    3.7700   -1.7555    0.0000 C
    4.6681   -1.2278    0.0000 C
    4.6520   -0.1863    0.0000 C
    5.5180    0.3137    0.0000 C
    5.5180    1.3137    0.0000 C
    6.4280    1.8206    0.0000 C
    6.4361    2.8622    0.0000 C
    5.5340    3.3830    0.0000 C
    4.6359    2.8552    0.0000 C
    4.6520    1.8137    0.0000 C
    3.7860    1.3137    0.0000 C
    3.7860    0.3137    0.0000 C
    2.8760   -0.1931    0.0000 C
    5.6200   -1.7484    0.0000 C
    5.6367   -2.8333    0.0000 C
    4.7013   -3.3830    0.0000 C
    3.7617   -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
   7   12    5    5
  12   13    5    5
  13   14    5    5
   5   14    5    5
  14   15    5    5
   2   15    5    5
   4   16    5    5
  16   17    5    5
  17   18    5    5
  18   19    5    5
   3   19    5    5