@MOLECULE bromoacetic acid 8 7 0 0 0 SMALL USER_CHARGES @ATOM 1 BR -1.1913 -0.0071 -0.1038 Br 1 UNL11111111 -0.0222 2 O 2.1541 1.0498 -0.3029 O.3 1 UNL11111111 -0.5488 3 O 2.0585 -1.1769 -0.1617 O.2 1 UNL11111111 -0.4682 4 C 0.4085 0.1890 0.9845 C.3 1 UNL11111111 -0.3423 5 C 1.5959 -0.1084 0.1304 C.2 1 UNL11111111 0.6286 6 H 0.3328 -0.5212 1.8292 H 1 UNL11111111 0.1952 7 H 0.4184 1.2207 1.3849 H 1 UNL11111111 0.1984 8 H 2.9389 0.9171 -0.8932 H 1 UNL11111111 0.3592 @BOND 1 8 2 1 2 2 5 1 3 3 5 2 4 1 4 1 5 5 4 1 6 4 7 1 7 4 6 1