graphkit-learn/datasets/PAH/dibenzo[c,i]pyrene.ct

C24H16
 24 29
    2.8909   -2.8141    0.0000 C
    3.7929   -3.3349    0.0000 C
    4.6910   -2.8071    0.0000 C
    4.6749   -1.7656    0.0000 C
    5.5409   -1.2656    0.0000 C
    5.5409   -0.2656    0.0000 C
    4.6749    0.2344    0.0000 C
    4.6848    1.2456    0.0000 C
    3.8101    1.7530    0.0000 C
    2.9372    1.2425    0.0000 C
    2.9507    0.2313    0.0000 C
    2.0852   -0.2529    0.0000 C
    2.0596   -1.2442    0.0000 C
    2.8989   -1.7725    0.0000 C
    3.8089   -1.2656    0.0000 C
    3.8089   -0.2656    0.0000 C
    2.0141    1.7498    0.0000 C
    2.0000    2.8031    0.0000 C
    2.9092    3.3349    0.0000 C
    3.8204    2.8063    0.0000 C
    5.1882   -0.8097    0.0000 C
    6.1000   -0.8338    0.0000 C
    6.4841   -1.8142    0.0000 C
    5.7760   -2.8071    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
  10   17    5    5
  17   18    5    5
  18   19    5    5
  19   20    5    5
   9   20    5    5
   4   21    5    5
  21   22    5    5
  22   23    5    5
  23   24    5    5
   3   24    5    5