CNOq.mol -ISIS- 3D 3 2 0 0 0 0 0 0 0 0 0 -0.1206 -0.4244 0.0000 N 0 0 0 0 0 1.2871 -0.2599 0.0000 C 0 0 0 0 0 -0.8533 0.5655 0.0000 O 0 0 0 0 0 1 2 1 0 0 0 1 3 2 0 0 0 4