chemdig rzepa example_alc 8 ATOMS, 7 BONDS 1 C3 -0.6443 0.4059 0.0000 2 C3 0.6443 -0.4059 0.0000 3 H -0.4089 1.4937 0.0000 4 H -1.2458 0.1653 0.9050 5 H -1.2458 0.1653 -0.9050 6 H 0.4089 -1.4937 0.0000 7 H 1.2458 -0.1653 0.9050 8 H 1.2458 -0.1653 -0.9050 1 1 2 SINGLE 2 1 3 SINGLE 3 1 4 SINGLE 4 1 5 SINGLE 5 2 6 SINGLE 6 2 7 SINGLE 7 2 8 SINGLE