graphkit-learn/datasets/Alkane/molecule049.ct

molecule048.ct
9 8
   -0.5490   -1.2990    0.0000 C
   -1.2990    0.0000    0.0000 C
    0.0000    0.7500    0.0000 C
    1.2990    0.0000    0.0000 C
    2.0490    1.2990    0.0000 C
    2.5981   -0.7500    0.0000 C
    0.5490   -1.2990    0.0000 C
   -2.5981   -0.7500    0.0000 C
   -2.0490    1.2990    0.0000 C
1 2  1  1
2 3  1  1
3 4  1  1
4 5  1  1
4 6  1  1
4 7  1  1
2 8  1  1
2 9  1  1