graphkit-learn/datasets/PAH/dibenzo[b,k]chrysene.ct

C26H16
 26 31
    2.9788   -1.8530    0.0000 C
    2.0000   -1.2879    0.0000 C
    2.0087   -0.1578    0.0000 C
    2.9961    0.3921    0.0000 C
    3.9615   -0.1954    0.0000 C
    3.9531   -1.2804    0.0000 C
    4.8927   -1.8229    0.0000 C
    5.8282   -1.2732    0.0000 C
    6.7303   -1.7940    0.0000 C
    7.6283   -1.2662    0.0000 C
    7.6122   -0.2247    0.0000 C
    8.4783    0.2753    0.0000 C
    9.3722   -0.2594    0.0000 C
   10.2783    0.2545    0.0000 C
   10.2783    1.2961    0.0000 C
    9.3722    1.8099    0.0000 C
    8.4783    1.2753    0.0000 C
    7.6122    1.7753    0.0000 C
    6.7462    1.2753    0.0000 C
    6.7462    0.2753    0.0000 C
    5.8362   -0.2316    0.0000 C
    4.9094    0.3325    0.0000 C
   11.2094    1.8530    0.0000 C
   12.1532    1.3178    0.0000 C
   12.1532    0.2328    0.0000 C
   11.2094   -0.3025    0.0000 C
   1    2    5    5
   2    3    5    5
   3    4    5    5
   4    5    5    5
   5    6    5    5
   1    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
  14   15    5    5
  15   16    5    5
  16   17    5    5
  12   17    5    5
  17   18    5    5
  18   19    5    5
  19   20    5    5
  11   20    5    5
  20   21    5    5
   8   21    5    5
  21   22    5    5
   5   22    5    5
  15   23    5    5
  23   24    5    5
  24   25    5    5
  25   26    5    5
  14   26    5    5