HOC.mol -ISIS- 3D 3 2 0 0 0 0 0 0 0 0 0 -0.5036 -0.0349 0.0000 O 0 0 0 0 0 0.7823 -0.0516 0.0000 C 0 0 0 0 0 -0.9307 0.8771 0.0000 H 0 0 0 0 0 1 2 1 0 0 0 1 3 1 0 0 0 2