molecule3.ct
4 3
    1.1250    1.2990    0.0000 C
    0.3750   -0.0000    0.0000 C
    1.1250   -1.2990    0.0000 C
   -1.1250   -0.0000    0.0000 C
1 2  1  1
2 3  1  1
2 4  1  1