@MOLECULE methansulfenylbromid 6 5 0 0 0 SMALL USER_CHARGES @ATOM 1 BR -0.8955 0.0826 -0.0000 Br 1 UNL111111 -0.1196 2 S 1.1968 -0.6497 0.0000 S.3 1 UNL111111 0.1014 3 C 2.1601 0.8816 0.0000 C.3 1 UNL111111 -0.5184 4 H 3.2268 0.6116 0.0025 H 1 UNL111111 0.1822 5 H 1.9748 1.5012 0.8868 H 1 UNL111111 0.1773 6 H 1.9789 1.4987 -0.8893 H 1 UNL111111 0.1772 @BOND 1 6 3 1 2 1 2 1 3 2 3 1 4 3 4 1 5 3 5 1