graphkit-learn/datasets/Alkane/molecule069.ct

molecule068.ct
9 8
    3.8971   -1.1250    0.0000 C
    2.5981   -0.3750    0.0000 C
    1.2990   -1.1250    0.0000 C
   -0.0000   -0.3750    0.0000 C
   -1.2990   -1.1250    0.0000 C
   -2.5981   -0.3750    0.0000 C
   -3.8971   -1.1250    0.0000 C
   -2.5981    1.1250    0.0000 C
    2.5981    1.1250    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
6 8  1  1
2 9  1  1