graphkit-learn/datasets/Alkane/molecule051.ct

molecule050.ct
9 8
    1.7745    1.3995    0.0000 C
    1.7745   -0.1005    0.0000 C
    0.4755   -0.8505    0.0000 C
   -0.8236   -0.1005    0.0000 C
   -1.5736   -1.3995    0.0000 C
   -3.0736   -1.3995    0.0000 C
   -2.1226    0.6495    0.0000 C
   -0.0736    1.1986    0.0000 C
    3.0736   -0.8505    0.0000 C
1 2  1  1
2 3  1  1
3 4  1  1
4 5  1  1
5 6  1  1
4 7  1  1
4 8  1  1
2 9  1  1