@MOLECULE (2s,2's)-2,2'-sulfanediyldisuccinic acid 27 26 0 0 0 SMALL GASTEIGER @ATOM 1 S 0.3347 0.1080 -1.0499 S.3 1 UNL1111111111 0.0738 2 O 2.3486 2.8756 0.0645 O.3 1 UNL1111111111 -0.5583 3 O -0.4182 -1.2458 1.7691 O.3 1 UNL1111111111 -0.5618 4 O 0.2945 2.6625 0.9029 O.2 1 UNL1111111111 -0.4865 5 O -1.6534 -2.4203 0.3218 O.2 1 UNL1111111111 -0.4795 6 O 4.0386 -1.4986 -1.1102 O.3 1 UNL1111111111 -0.5556 7 O -4.7383 0.1989 -1.1062 O.3 1 UNL1111111111 -0.5606 8 O 2.7853 -1.9165 0.6877 O.2 1 UNL1111111111 -0.4963 9 O -3.8271 0.3940 0.9227 O.2 1 UNL1111111111 -0.4885 10 C 1.5169 0.6716 0.2484 C.3 1 UNL1111111111 -0.2493 11 C -1.2227 -0.0532 -0.0768 C.3 1 UNL1111111111 -0.2452 12 C 2.9340 0.3503 -0.1973 C.3 1 UNL1111111111 -0.3395 13 C -2.4123 -0.0116 -1.0246 C.3 1 UNL1111111111 -0.3420 14 C 1.2779 2.1377 0.4519 C.2 1 UNL1111111111 0.6283 15 C -1.1593 -1.3737 0.6404 C.2 1 UNL1111111111 0.6356 16 C 3.1937 -1.1236 -0.1174 C.2 1 UNL1111111111 0.6464 17 C -3.6806 0.2124 -0.2550 C.2 1 UNL1111111111 0.6446 18 H 1.2941 0.1328 1.2213 H 1 UNL1111111111 0.2337 19 H -1.2938 0.7907 0.6734 H 1 UNL1111111111 0.2309 20 H 3.1642 0.7492 -1.2151 H 1 UNL1111111111 0.2044 21 H 3.6770 0.8783 0.4543 H 1 UNL1111111111 0.2045 22 H -2.3138 0.7936 -1.7924 H 1 UNL1111111111 0.1996 23 H -2.5054 -0.9602 -1.6143 H 1 UNL1111111111 0.2107 24 H 2.2171 3.8514 0.1787 H 1 UNL1111111111 0.3616 25 H -0.2878 -2.0981 2.2600 H 1 UNL1111111111 0.3695 26 H 4.2525 -2.4653 -1.1061 H 1 UNL1111111111 0.3587 27 H -5.6108 0.3251 -0.6556 H 1 UNL1111111111 0.3607 @BOND 1 1 10 1 2 1 11 1 3 2 14 1 4 2 24 1 5 3 15 1 6 3 25 1 7 4 14 2 8 5 15 2 9 6 16 1 10 6 26 1 11 7 17 1 12 7 27 1 13 8 16 2 14 9 17 2 15 10 12 1 16 10 14 1 17 10 18 1 18 11 13 1 19 11 15 1 20 11 19 1 21 12 16 1 22 12 20 1 23 12 21 1 24 13 17 1 25 13 22 1 26 13 23 1