graphkit-learn/datasets/Alkane/molecule050.ct

molecule049.ct
9 8
   -0.9510    1.5000    0.0000 C
    0.5490    1.5000    0.0000 C
    0.5490    0.0000    0.0000 C
   -0.7500   -0.7500    0.0000 C
   -0.7500   -2.2500    0.0000 C
    0.5490   -3.0000    0.0000 C
   -2.0490    0.0000    0.0000 C
    0.5490    3.0000    0.0000 C
    2.0490    1.5000    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
2 8  1  1
2 9  1  1