graphkit-learn/datasets/Alkane/molecule032.ct

molecule031.ct
8 7
    2.2500    0.6495    0.0000 C
    0.7500    0.6495    0.0000 C
   -0.0000   -0.6495    0.0000 C
    0.7500   -1.9486    0.0000 C
    2.2500   -1.9486    0.0000 C
   -0.0000    1.9486    0.0000 C
   -1.5000   -0.6495    0.0000 C
   -2.2500   -1.9486    0.0000 C
1 2  1  1
2 3  1  1
3 4  1  1
4 5  1  1
2 6  1  1
7 8  1  1
3 7  1  1