graphkit-learn/datasets/Monoterpenoides/142.ct

 12 12
   -7.9688    9.1964    0.0000 C
   -8.5521    8.6131    0.0000 C
   -7.3854    8.6131    0.0000 C
   -8.6832    9.6089    0.0000 C
   -7.2543    9.6089    0.0000 C
   -8.9646    7.8986    0.0000 C
   -9.7896    7.8986    0.0000 O
   -6.9729    7.8986    0.0000 C
   -6.1479    7.8986    0.0000 C
   -5.7354    7.1841    0.0000 C
   -5.7354    8.6131    0.0000 C
   -9.1781    7.1017    0.0000 O
   1    2    1    1
   1    3    1    1
   2    3    1    1
   1    4    1    1
   1    5    1    1
   2    6    1    1
   6    7    1    1
   3    8    1    1
   8    9    2    2
   9   10    1    1
   9   11    1    1
   6   12    2    2