@MOLECULE bromomethane 5 4 0 0 0 SMALL USER_CHARGES @ATOM 1 C 1.6223 0.0000 0.0000 C.3 1 UNL11111111 -0.4024 2 H 1.9714 -0.3886 0.9575 H 1 UNL11111111 0.1651 3 H 1.9710 -0.6352 -0.8153 H 1 UNL11111111 0.1651 4 H 1.9714 1.0236 -0.1424 H 1 UNL11111111 0.1651 5 BR -0.3185 0.0000 0.0000 Br 1 UNL11111111 -0.0929 @BOND 1 3 1 1 2 4 1 1 3 1 5 1 4 1 2 1