graphkit-learn/datasets/Alkane/molecule023.ct

molecule022.ct
8 7
   -1.5000    0.7500    0.0000 C
    0.0000    0.7500    0.0000 C
    0.0000   -0.7500    0.0000 C
    1.5000   -0.7500    0.0000 C
    0.0000   -2.2500    0.0000 C
   -1.5000   -0.7500    0.0000 C
    0.0000    2.2500    0.0000 C
    1.5000    0.7500    0.0000 C
1 2  1  1
2 3  1  1
3 4  1  1
3 5  1  1
3 6  1  1
2 7  1  1
2 8  1  1