graphkit-learn/datasets/PAH/benzo[c]pentaphene.ct

C26H16
 26 31
    4.6744    4.5018    0.0000 C
    3.7348    5.0443    0.0000 C
    2.7993    4.4946    0.0000 C
    2.8161    3.4097    0.0000 C
    3.7680    2.8891    0.0000 C
    4.6660    3.4169    0.0000 C
    5.5681    2.8961    0.0000 C
    5.5601    1.8545    0.0000 C
    4.6501    1.3476    0.0000 C
    4.6501    0.3476    0.0000 C
    3.7841   -0.1524    0.0000 C
    3.8001   -1.1939    0.0000 C
    4.7520   -1.7145    0.0000 C
    4.7688   -2.7994    0.0000 C
    5.7603   -3.3417    0.0000 C
    5.7778   -4.4717    0.0000 C
    4.8034   -5.0443    0.0000 C
    3.8246   -4.4792    0.0000 C
    3.8333   -3.3491    0.0000 C
    2.8937   -2.8066    0.0000 C
    2.9021   -1.7217    0.0000 C
    2.0000   -1.2008    0.0000 C
    2.0080   -0.1592    0.0000 C
    2.9180    0.3476    0.0000 C
    2.9180    1.3476    0.0000 C
    3.7841    1.8476    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
  17   18    5    5
  18   19    5    5
  14   19    5    5
  19   20    5    5
  20   21    5    5
  12   21    5    5
  21   22    5    5
  22   23    5    5
  23   24    5    5
  11   24    5    5
  24   25    5    5
  25   26    5    5
   5   26    5    5
   9   26    5    5