graphkit-learn/datasets/Alkane/molecule057.ct

molecule056.ct
9 8
    1.2990   -2.2500    0.0000 C
    0.0000   -1.5000    0.0000 C
    0.0000   -0.0000    0.0000 C
   -1.5000   -0.0000    0.0000 C
   -2.2500   -1.2990    0.0000 C
    0.0000    1.5000    0.0000 C
   -1.2990    2.2500    0.0000 C
    1.5000   -0.0000    0.0000 C
    2.2500   -1.2990    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
8 9  1  1
3 8  1  1