H2BCN.mol -ISIS- 3D 5 4 0 0 0 0 0 0 0 0 0 -1.3977 -0.0003 0.0000 B 0 0 0 0 0 0.1286 -0.0003 0.0001 C 0 0 0 0 0 -1.9776 1.0508 0.0000 H 0 0 0 0 0 -1.9792 -1.0507 0.0000 H 0 0 0 0 0 1.3033 0.0008 0.0000 N 0 0 0 0 0 1 2 1 0 0 0 1 3 1 0 0 0 1 4 1 0 0 0 2 5 3 0 0 0