@MOLECULE 2-[[(2R)-2-hydroxypropyl]disulfanyl]-2-methyl-propanoic acid 26 25 0 0 0 SMALL GASTEIGER @ATOM 1 S -0.9223 -1.2726 0.6781 S.3 1 UNL111111111 -0.0550 2 S 0.9347 -1.3270 -0.0073 S.3 1 UNL111111111 0.0629 3 O 4.0025 -0.5404 0.0198 O.3 1 UNL111111111 -0.5690 4 O -2.9124 1.7020 0.7014 O.3 1 UNL111111111 -0.5438 5 O -0.8413 1.8735 -0.0764 O.2 1 UNL111111111 -0.5340 6 C -2.0462 -0.2311 -0.3781 C.3 1 UNL111111111 -0.0379 7 C -1.7348 -0.3128 -1.8645 C.3 1 UNL111111111 -0.4556 8 C -3.4594 -0.7149 -0.0871 C.3 1 UNL111111111 -0.4406 9 C 3.0283 0.4229 -0.3557 C.3 1 UNL111111111 0.1956 10 C 1.8471 0.1496 0.5775 C.3 1 UNL111111111 -0.3857 11 C -1.8246 1.1918 0.0733 C.2 1 UNL111111111 0.6263 12 C 3.5805 1.8335 -0.1382 C.3 1 UNL111111111 -0.5081 13 H 2.7842 0.2565 -1.4305 H 1 UNL111111111 0.1245 14 H -0.7636 0.1355 -2.1251 H 1 UNL111111111 0.1730 15 H -1.7266 -1.3496 -2.2298 H 1 UNL111111111 0.1695 16 H -2.4903 0.2213 -2.4590 H 1 UNL111111111 0.1578 17 H -3.6224 -1.7485 -0.4216 H 1 UNL111111111 0.1617 18 H -4.2037 -0.0880 -0.6022 H 1 UNL111111111 0.1642 19 H -3.7187 -0.6645 0.9821 H 1 UNL111111111 0.1710 20 H 1.1876 1.0391 0.6302 H 1 UNL111111111 0.1908 21 H 2.2189 -0.0350 1.6062 H 1 UNL111111111 0.1845 22 H 3.9016 1.9779 0.9011 H 1 UNL111111111 0.1640 23 H 4.4457 2.0306 -0.7795 H 1 UNL111111111 0.1500 24 H 2.8256 2.5976 -0.3616 H 1 UNL111111111 0.1647 25 H 4.8565 -0.3652 -0.4140 H 1 UNL111111111 0.3160 26 H -2.7808 2.6309 1.0199 H 1 UNL111111111 0.3532 @BOND 1 1 2 1 2 1 6 1 3 2 10 1 4 3 9 1 5 3 25 1 6 4 11 1 7 4 26 1 8 5 11 2 9 6 7 1 10 6 8 1 11 6 11 1 12 7 14 1 13 7 15 1 14 7 16 1 15 8 17 1 16 8 18 1 17 8 19 1 18 9 10 1 19 9 12 1 20 9 13 1 21 10 20 1 22 10 21 1 23 12 22 1 24 12 23 1 25 12 24 1