@MOLECULE tribromoborane 4 3 0 0 0 SMALL USER_CHARGES @ATOM 1 BR -1.9043 0.0392 0.0000 Br 1 UNL11111111 -0.0705 2 B -0.0005 0.0000 -0.0001 B 1 UNL11111111 0.2122 3 BR 0.9862 1.6291 0.0000 Br 1 UNL11111111 -0.0708 4 BR 0.9182 -1.6684 0.0000 Br 1 UNL11111111 -0.0708 @BOND 1 2 1 1 2 2 3 1 3 2 4 1