@MOLECULE chloro(iodo)magnesium 3 2 0 0 0 SMALL USER_CHARGES @ATOM 1 MG -1.3578 -0.0000 0.0000 Mg 1 UNL111111 0.9473 2 I 1.2340 0.0000 -0.0000 I 1 UNL111111 -0.4116 3 CL -3.4862 0.0000 -0.0000 Cl 1 UNL111111 -0.5356 @BOND 1 1 2 1 2 1 3 1