graphkit-learn/datasets/Alkane/molecule061.ct

molecule060.ct
9 8
   -3.8971   -0.3750    0.0000 C
   -2.5981    0.3750    0.0000 C
   -1.2990   -0.3750    0.0000 C
    0.0000    0.3750    0.0000 C
    1.2990   -0.3750    0.0000 C
    2.5981    0.3750    0.0000 C
    3.8971   -0.3750    0.0000 C
   -1.2990   -1.8750    0.0000 C
   -2.5981    1.8750    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
3 8  1  1
2 9  1  1