@MOLECULE nickel(2+) difluoride 3 2 0 0 0 SMALL USER_CHARGES @ATOM 1 NI 0.0000 -0.0016 0.0000 Ni 1 UNL111111111 1.1981 2 F 1.6160 0.0025 -0.0000 F 1 UNL111111111 -0.5990 3 F -1.6162 0.0025 -0.0000 F 1 UNL111111111 -0.5990 @BOND 1 3 1 1 2 1 2 1