graphkit-learn/datasets/Alkane/molecule027.ct

molecule026.ct
8 7
    1.1986    1.2990    0.0000 C
    1.9486   -0.0000    0.0000 C
    0.6495   -0.7500    0.0000 C
   -0.6495   -0.0000    0.0000 C
   -1.9486   -0.7500    0.0000 C
   -3.2476   -0.0000    0.0000 C
    3.2476    0.7500    0.0000 C
    2.6986   -1.2990    0.0000 C
1 2  1  1
2 3  1  1
3 4  1  1
4 5  1  1
5 6  1  1
2 7  1  1
2 8  1  1