@MOLECULE sodium fluoride 2 1 0 0 0 SMALL USER_CHARGES @ATOM 1 NA -0.8759 0.0000 -0.0000 Na 1 UNL111111111 0.7753 2 F 1.0600 -0.0000 0.0000 F 1 UNL111111111 -0.7753 @BOND 1 1 2 1