CNNt.mol -ISIS- 3D 3 2 0 0 0 0 0 0 0 0 0 -0.0439 -0.0003 0.0000 N 0 0 0 0 0 1.1638 -0.0003 0.0000 N 0 0 0 0 0 -1.3043 0.0008 0.0000 C 0 0 0 0 0 1 2 1 0 0 0 1 3 2 0 0 0 3