graphkit-learn/datasets/Alkane/molecule055.ct

molecule054.ct
9 8
    3.4486   -1.9486    0.0000 C
    2.6986   -0.6495    0.0000 C
    1.1986   -0.6495    0.0000 C
    0.4486    0.6495    0.0000 C
   -0.8505   -0.1005    0.0000 C
   -2.1495    0.6495    0.0000 C
   -3.4486   -0.1005    0.0000 C
   -0.3014    1.9486    0.0000 C
    1.7476    1.3995    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
4 8  1  1
4 9  1  1