@MOLECULE 2-(methylsulfanyl)ethanesulfonic acid 16 15 0 0 0 SMALL GASTEIGER @ATOM 1 S -1.6790 0.0726 0.1189 S.O2 1 UNL1111111111 2.3901 2 S 2.6557 -0.5858 0.0169 S.3 1 UNL1111111111 -0.0093 3 O -2.1687 -0.2833 -1.4243 O.3 1 UNL1111111111 -0.8485 4 O -1.5698 1.5030 0.2078 O.2 1 UNL1111111111 -0.8948 5 O -2.5498 -0.6467 1.0067 O.2 1 UNL1111111111 -0.8897 6 C -0.0763 -0.6989 0.0493 C.3 1 UNL1111111111 -0.5755 7 C 1.0479 0.3206 0.0918 C.3 1 UNL1111111111 -0.2958 8 C 3.8471 0.7832 -0.0785 C.3 1 UNL1111111111 -0.5059 9 H 0.0130 -1.4341 0.8822 H 1 UNL1111111111 0.1969 10 H -0.0114 -1.3221 -0.8759 H 1 UNL1111111111 0.2039 11 H 1.0215 0.9346 1.0143 H 1 UNL1111111111 0.1665 12 H 0.9913 1.0366 -0.7529 H 1 UNL1111111111 0.1679 13 H 3.8069 1.4303 0.8040 H 1 UNL1111111111 0.1654 14 H 3.6968 1.4020 -0.9695 H 1 UNL1111111111 0.1651 15 H 4.8574 0.3562 -0.1347 H 1 UNL1111111111 0.1741 16 H -3.0463 -0.0017 -1.7018 H 1 UNL1111111111 0.3895 @BOND 1 1 3 1 2 1 4 2 3 1 5 2 4 1 6 1 5 2 7 1 6 2 8 1 7 3 16 1 8 6 7 1 9 6 9 1 10 6 10 1 11 7 11 1 12 7 12 1 13 8 13 1 14 8 14 1 15 8 15 1