@MOLECULE methyl methanethiosulfonate 12 11 0 0 0 SMALL USER_CHARGES @ATOM 1 S -0.6726 0.1816 0.0014 S.O2 1 UNL111111 2.1574 2 S 1.1940 -0.7708 0.0033 S.3 1 UNL111111 -0.3286 3 O -0.8134 0.9092 -1.2352 O.2 1 UNL111111 -0.8694 4 O -0.8337 0.8781 1.2532 O.2 1 UNL111111 -0.8685 5 C -1.7868 -1.2024 -0.0241 C.3 1 UNL111111 -0.7397 6 C 2.4269 0.5636 -0.0036 C.3 1 UNL111111 -0.4670 7 H -2.8311 -0.8516 -0.0295 H 1 UNL111111 0.1966 8 H -1.6723 -1.8309 -0.9177 H 1 UNL111111 0.1919 9 H -1.6883 -1.8501 0.8577 H 1 UNL111111 0.1919 10 H 2.3511 1.2040 0.8864 H 1 UNL111111 0.1800 11 H 2.3441 1.2009 -0.8953 H 1 UNL111111 0.1804 12 H 3.4276 0.1100 -0.0066 H 1 UNL111111 0.1751 @BOND 1 3 1 2 2 8 5 1 3 11 6 1 4 7 5 1 5 5 1 1 6 5 9 1 7 12 6 1 8 6 2 1 9 6 10 1 10 1 2 1 11 1 4 2