graphkit-learn/datasets/Alkane/molecule045.ct

molecule044.ct
9 8
    2.4240   -1.6740    0.0000 C
    1.6740   -0.3750    0.0000 C
    0.1740   -0.3750    0.0000 C
    0.1740    1.1250    0.0000 C
   -1.1250    1.8750    0.0000 C
   -2.4240    1.1250    0.0000 C
    1.4731    1.8750    0.0000 C
    0.1740   -1.8750    0.0000 C
   -1.3260   -0.3750    0.0000 C
1 2  1  1
2 3  1  1
3 4  1  1
4 5  1  1
5 6  1  1
4 7  1  1
3 8  1  1
3 9  1  1