@MOLECULE cyanic iodide 3 2 0 0 0 SMALL USER_CHARGES @ATOM 1 N -2.7292 -0.0001 0.0000 N.1 1 UNL111111 -0.1911 2 C -1.5772 0.0002 -0.0000 C.1 1 UNL111111 -0.0141 3 I 0.4505 -0.0000 0.0000 I 1 UNL111111 0.2052 @BOND 1 1 2 3 2 2 3 1