graphkit-learn/datasets/Alkane/molecule034.ct

molecule033.ct
8 7
    1.8750   -1.2990    0.0000 C
    0.3750   -1.2990    0.0000 C
   -0.3750    0.0000    0.0000 C
    0.3750    1.2990    0.0000 C
   -0.3750    2.5981    0.0000 C
   -1.8750    2.5981    0.0000 C
    1.8750    1.2990    0.0000 C
   -0.3750   -2.5981    0.0000 C
1 2  1  1
2 3  1  1
3 4  1  1
4 5  1  1
5 6  1  1
4 7  1  1
2 8  1  1