graphkit-learn/datasets/Alkane/molecule071.ct

molecule070.ct
9 8
   -4.5466   -0.3750    0.0000 C
   -3.2476   -1.1250    0.0000 C
   -1.9486   -0.3750    0.0000 C
   -0.6495   -1.1250    0.0000 C
    0.6495   -0.3750    0.0000 C
    1.9486   -1.1250    0.0000 C
    3.2476   -0.3750    0.0000 C
    4.5466   -1.1250    0.0000 C
   -1.9486    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
7 8  1  1
3 9  1  1