@MOLECULE thioxomagnesium 2 1 0 0 0 SMALL USER_CHARGES @ATOM 1 MG -1.0565 0.0000 -0.0000 Mg 1 UNL111111111 0.9369 2 S 0.8010 -0.0000 0.0000 S.2 1 UNL111111111 -0.9369 @BOND 1 1 2 2