graphkit-learn/datasets/Alkane/molecule053.ct

molecule052.ct
9 8
    0.6764    0.7500    0.0000 C
    1.9755    0.0000    0.0000 C
    1.2255   -1.2990    0.0000 C
   -0.2745   -1.2990    0.0000 C
   -1.0245    0.0000    0.0000 C
   -2.5245    0.0000    0.0000 C
   -3.2745    1.2990    0.0000 C
    2.7255    1.2990    0.0000 C
    3.2745   -0.7500    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
2 8  1  1
2 9  1  1