graphkit-learn/datasets/Alkane/molecule070.ct

molecule069.ct
9 8
   -4.1250    0.0000    0.0000 C
   -2.6250    0.0000    0.0000 C
   -1.8750    1.2990    0.0000 C
   -0.3750    1.2990    0.0000 C
    0.3750   -0.0000    0.0000 C
    1.8750   -0.0000    0.0000 C
    2.6250   -1.2990    0.0000 C
    4.1250   -1.2990    0.0000 C
   -1.8750   -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
6 7  1  1
7 8  1  1
2 9  1  1