molecule02.1.ct 7 6 -3.8971 -0.3750 0.0000 C -2.5981 0.3750 0.0000 C -1.2990 -0.3750 0.0000 C 0.0000 0.3750 0.0000 C 1.2990 -0.3750 0.0000 C 2.5981 0.3750 0.0000 C 3.8971 -0.3750 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