@MOLECULE lithium chloride 2 1 0 0 0 SMALL USER_CHARGES @ATOM 1 LI -1.6911 0.0000 -0.0000 Li 1 UNL111111 0.8716 2 CL 0.3310 -0.0000 0.0000 Cl 1 UNL111111 -0.8716 @BOND 1 1 2 1