graphkit-learn/datasets/monoterpenoides/172.ct

 11 11
    0.8259   -2.1437    0.0000 C
    0.1114   -2.5562    0.0000 C
    0.1114   -3.3813    0.0000 C
    0.8259   -3.7938    0.0000 C
    1.5404   -3.3813    0.0000 C
    1.5404   -2.5562    0.0000 C
    0.8259   -1.3187    0.0000 C
   -0.6031   -2.1437    0.0000 C
   -1.3175   -2.5562    0.0000 C
   -0.6031   -1.3187    0.0000 C
   -1.3175   -1.7312    0.0000 O
   1    2    5    5
   1    6    5    5
   2    3    5    5
   3    4    5    5
   4    5    5    5
   5    6    5    5
   1    7    1    1
   2    8    1    1
   8    9    1    1
   8   10    1    1
   8   11    1    1