graphkit-learn/datasets/Alkane/molecule036.ct

molecule035.ct
8 7
   -3.3750   -0.0000    0.0000 C
   -1.8750   -0.0000    0.0000 C
   -1.1250    1.2990    0.0000 C
    0.3750    1.2990    0.0000 C
    1.1250   -0.0000    0.0000 C
    2.6250   -0.0000    0.0000 C
    3.3750   -1.2990    0.0000 C
   -1.1250   -1.2990    0.0000 C
1 2  1  1
2 3  1  1
3 4  1  1
4 5  1  1
5 6  1  1
6 7  1  1
2 8  1  1