graphkit-learn/datasets/Alkane/molecule046.ct

molecule045.ct
9 8
   -1.6740    1.8750    0.0000 C
   -0.3750    1.1250    0.0000 C
   -0.3750   -0.3750    0.0000 C
    1.1250   -0.3750    0.0000 C
    1.8750   -1.6740    0.0000 C
    1.8750    0.9240    0.0000 C
   -0.3750   -1.8750    0.0000 C
   -1.8750   -0.3750    0.0000 C
    0.9240    1.8750    0.0000 C
1 2  1  1
2 3  1  1
3 4  1  1
4 5  1  1
4 6  1  1
3 7  1  1
3 8  1  1
2 9  1  1