HC+.mol -ISIS- 3D 2 1 0 0 0 0 0 0 0 0 0 -0.1227 0.0000 0.0000 C 0 0 0 0 0 1.0355 0.0000 0.0000 H 0 0 0 0 0 1 2 1 0 0 0 1