@MOLECULE dimethyl 2,3-dimercaptosuccinate 22 21 0 0 0 SMALL GASTEIGER @ATOM 1 S -0.0766 1.7047 1.2982 S.3 1 UNL1111111111 -0.1378 2 S 0.0787 0.6372 -2.0432 S.3 1 UNL1111111111 -0.1380 3 O 2.1619 -1.3699 0.1667 O.3 1 UNL1111111111 -0.4057 4 O -2.1673 -1.2258 0.6413 O.3 1 UNL1111111111 -0.4060 5 O 2.6996 0.7832 0.5414 O.2 1 UNL1111111111 -0.4765 6 O -2.6946 0.3498 -0.8769 O.2 1 UNL1111111111 -0.4756 7 C 0.3793 0.0337 0.6851 C.3 1 UNL1111111111 -0.2537 8 C -0.3792 -0.3689 -0.5756 C.3 1 UNL1111111111 -0.2532 9 C 1.8678 -0.0798 0.4627 C.2 1 UNL1111111111 0.5913 10 C -1.8676 -0.3267 -0.3283 C.2 1 UNL1111111111 0.5907 11 C 3.5329 -1.6509 -0.1079 C.3 1 UNL1111111111 -0.1649 12 C -3.5383 -1.2934 1.0287 C.3 1 UNL1111111111 -0.1650 13 H 0.0937 -0.6768 1.5185 H 1 UNL1111111111 0.2143 14 H -0.0965 -1.4314 -0.8432 H 1 UNL1111111111 0.2145 15 H 0.9447 2.4259 0.7993 H 1 UNL1111111111 0.1953 16 H -0.9275 1.5314 -2.0388 H 1 UNL1111111111 0.1952 17 H 3.5163 -2.7184 -0.3580 H 1 UNL1111111111 0.1504 18 H 4.1412 -1.4559 0.7815 H 1 UNL1111111111 0.1418 19 H 3.8818 -1.0465 -0.9527 H 1 UNL1111111111 0.1454 20 H -4.1632 -1.5598 0.1698 H 1 UNL1111111111 0.1428 21 H -3.8553 -0.3344 1.4528 H 1 UNL1111111111 0.1445 22 H -3.5357 -2.0862 1.7865 H 1 UNL1111111111 0.1503 @BOND 1 1 7 1 2 1 15 1 3 2 8 1 4 2 16 1 5 3 9 1 6 3 11 1 7 4 10 1 8 4 12 1 9 5 9 2 10 6 10 2 11 7 8 1 12 7 9 1 13 7 13 1 14 8 10 1 15 8 14 1 16 11 17 1 17 11 18 1 18 11 19 1 19 12 20 1 20 12 21 1 21 12 22 1