@MOLECULE potassium iodide 2 1 0 0 0 SMALL USER_CHARGES @ATOM 1 I -0.7341 0.0000 -0.0000 I 1 UNL111111 -0.7419 2 K 2.3826 -0.0000 0.0000 K 1 UNL111111 0.7419 @BOND 1 1 2 1