@MOLECULE dimethyl 2-sulfanylsuccinate 21 20 0 0 0 SMALL GASTEIGER @ATOM 1 S 0.4805 -1.8529 0.4943 S.3 1 UNL111111111 -0.1375 2 O 2.7137 0.2352 -0.8385 O.3 1 UNL111111111 -0.3915 3 O -2.9610 0.9930 0.2798 O.3 1 UNL111111111 -0.3999 4 O 2.0507 1.0764 1.1417 O.2 1 UNL111111111 -0.4808 5 O -2.1904 -0.7590 -0.9009 O.2 1 UNL111111111 -0.5248 6 C 0.4879 -0.1635 -0.2496 C.3 1 UNL111111111 -0.2326 7 C -0.6480 0.7020 0.2787 C.3 1 UNL111111111 -0.3567 8 C 1.8056 0.4513 0.1444 C.2 1 UNL111111111 0.5865 9 C -1.9759 0.1954 -0.1976 C.2 1 UNL111111111 0.6119 10 C 4.0282 0.7278 -0.5907 C.3 1 UNL111111111 -0.1719 11 C -4.2909 0.6310 -0.0842 C.3 1 UNL111111111 -0.1681 12 H 0.4188 -0.2605 -1.3656 H 1 UNL111111111 0.2000 13 H -0.6334 0.7614 1.3969 H 1 UNL111111111 0.2135 14 H -0.5161 1.7650 -0.0363 H 1 UNL111111111 0.1944 15 H -0.5385 -2.3762 -0.2107 H 1 UNL111111111 0.1893 16 H 4.5682 0.4505 -1.5038 H 1 UNL111111111 0.1494 17 H 4.4546 0.2351 0.2899 H 1 UNL111111111 0.1434 18 H 4.0072 1.8136 -0.4503 H 1 UNL111111111 0.1417 19 H -4.5415 -0.3481 0.3372 H 1 UNL111111111 0.1414 20 H -4.3986 0.6176 -1.1741 H 1 UNL111111111 0.1428 21 H -4.8925 1.4285 0.3683 H 1 UNL111111111 0.1496 @BOND 1 1 6 1 2 1 15 1 3 2 8 1 4 2 10 1 5 3 9 1 6 3 11 1 7 4 8 2 8 5 9 2 9 6 7 1 10 6 8 1 11 6 12 1 12 7 9 1 13 7 13 1 14 7 14 1 15 10 16 1 16 10 17 1 17 10 18 1 18 11 19 1 19 11 20 1 20 11 21 1