@MOLECULE diisopropyl (2r,3s)-2,3-disulfanylsuccinate 34 33 0 0 0 SMALL GASTEIGER @ATOM 1 S -2.5717 -1.0830 -1.7185 S.3 1 UNL1111111111 -0.1188 2 S -1.4892 -2.0140 1.4878 S.3 1 UNL1111111111 -0.1267 3 O -0.4080 1.7014 -0.5341 O.3 1 UNL1111111111 -0.4450 4 O 1.8508 -1.3226 -0.2965 O.3 1 UNL1111111111 -0.4437 5 O -2.2331 1.0237 0.5974 O.2 1 UNL1111111111 -0.5076 6 O 1.0676 -0.3315 1.5665 O.2 1 UNL1111111111 -0.5007 7 C -1.0469 -0.5051 -0.8823 C.3 1 UNL1111111111 -0.2623 8 C -0.4380 -1.5315 0.0668 C.3 1 UNL1111111111 -0.2517 9 C -0.4256 2.9903 0.1259 C.3 1 UNL1111111111 0.1907 10 C 3.1729 -0.7821 -0.0675 C.3 1 UNL1111111111 0.1912 11 C -1.3355 0.7989 -0.1737 C.2 1 UNL1111111111 0.6014 12 C 0.8812 -0.9850 0.5735 C.2 1 UNL1111111111 0.5950 13 C 0.0529 2.8084 1.5570 C.3 1 UNL1111111111 -0.5017 14 C 0.5361 3.8089 -0.7279 C.3 1 UNL1111111111 -0.4735 15 C 4.0649 -1.7110 -0.8820 C.3 1 UNL1111111111 -0.4736 16 C 3.1849 0.6533 -0.5741 C.3 1 UNL1111111111 -0.4962 17 H -0.3110 -0.3183 -1.7211 H 1 UNL1111111111 0.2114 18 H -0.2452 -2.4919 -0.4954 H 1 UNL1111111111 0.2157 19 H -1.4668 3.3795 0.0779 H 1 UNL1111111111 0.1369 20 H 3.3905 -0.8403 1.0228 H 1 UNL1111111111 0.1399 21 H 0.3131 3.7642 2.0226 H 1 UNL1111111111 0.1585 22 H -0.7182 2.3330 2.1802 H 1 UNL1111111111 0.1702 23 H 0.9385 2.1577 1.6094 H 1 UNL1111111111 0.1746 24 H 0.5896 4.8444 -0.3745 H 1 UNL1111111111 0.1573 25 H 0.2188 3.8240 -1.7788 H 1 UNL1111111111 0.1603 26 H 1.5502 3.3904 -0.7040 H 1 UNL1111111111 0.1593 27 H 5.1137 -1.4011 -0.8233 H 1 UNL1111111111 0.1552 28 H 3.9952 -2.7455 -0.5217 H 1 UNL1111111111 0.1593 29 H 3.7736 -1.7205 -1.9406 H 1 UNL1111111111 0.1629 30 H 4.1767 1.1056 -0.4712 H 1 UNL1111111111 0.1564 31 H 2.4744 1.2762 -0.0106 H 1 UNL1111111111 0.1682 32 H 2.8951 0.7116 -1.6304 H 1 UNL1111111111 0.1613 33 H -3.4475 -0.9857 -0.7034 H 1 UNL1111111111 0.1864 34 H -1.5124 -0.8504 2.1626 H 1 UNL1111111111 0.1893 @BOND 1 1 7 1 2 1 33 1 3 2 8 1 4 2 34 1 5 3 9 1 6 3 11 1 7 4 10 1 8 4 12 1 9 5 11 2 10 6 12 2 11 7 8 1 12 7 11 1 13 7 17 1 14 8 12 1 15 8 18 1 16 9 13 1 17 9 14 1 18 9 19 1 19 10 15 1 20 10 16 1 21 10 20 1 22 13 21 1 23 13 22 1 24 13 23 1 25 14 24 1 26 14 25 1 27 14 26 1 28 15 27 1 29 15 28 1 30 15 29 1 31 16 30 1 32 16 31 1 33 16 32 1