graphkit-learn/datasets/Alkane/molecule026.ct

molecule025.ct
8 7
    0.5490    1.1986    0.0000 C
    1.2990   -0.1005    0.0000 C
   -0.0000   -0.8505    0.0000 C
   -1.2990   -0.1005    0.0000 C
   -2.5981   -0.8505    0.0000 C
   -1.2990    1.3995    0.0000 C
    2.5981    0.6495    0.0000 C
    2.0490   -1.3995    0.0000 C
1 2  1  1
2 3  1  1
3 4  1  1
4 5  1  1
4 6  1  1
2 7  1  1
2 8  1  1