graphkit-learn/datasets/Alkane/molecule048.ct

molecule047.ct
9 8
    1.6740   -2.2500    0.0000 C
    0.3750   -1.5000    0.0000 C
    0.3750   -0.0000    0.0000 C
   -1.1250   -0.0000    0.0000 C
   -1.8750   -1.2990    0.0000 C
    0.3750    1.5000    0.0000 C
    1.6740    2.2500    0.0000 C
    1.8750   -0.0000    0.0000 C
   -0.9240   -2.2500    0.0000 C
1 2  1  1
2 3  1  1
3 4  1  1
4 5  1  1
6 7  1  1
3 6  1  1
3 8  1  1
2 9  1  1