@MOLECULE nitrogen triiodide 4 3 0 0 0 SMALL USER_CHARGES @ATOM 1 I -1.4571 1.4062 -0.0169 I 1 UNL111111 0.2073 2 I 1.9464 0.5587 -0.0169 I 1 UNL111111 0.2073 3 N -0.0002 -0.0002 0.4582 N.3 1 UNL111111 -0.6220 4 I -0.4893 -1.9649 -0.0169 I 1 UNL111111 0.2074 @BOND 1 1 3 1 2 2 3 1 3 4 3 1