graphkit-learn/datasets/Alkane/molecule043.ct

molecule042.ct
9 8
    2.6986    0.8236    0.0000 C
    1.9486   -0.4755    0.0000 C
    0.6495    0.2745    0.0000 C
   -0.6495   -0.4755    0.0000 C
   -1.9486    0.2745    0.0000 C
   -3.2476   -0.4755    0.0000 C
    0.6495    1.7745    0.0000 C
    3.2476   -1.2255    0.0000 C
    1.1986   -1.7745    0.0000 C
1 2  1  1
2 3  1  1
3 4  1  1
4 5  1  1
5 6  1  1
3 7  1  1
2 8  1  1
2 9  1  1