@MOLECULE (2r)-2,3-disulfanyl-1-propanol 14 13 0 0 0 SMALL GASTEIGER @ATOM 1 S -0.4468 1.5541 0.0697 S.3 1 UNL1111111111 -0.1928 2 S 2.3697 -0.2350 -0.2271 S.3 1 UNL1111111111 -0.1574 3 O -2.7630 -0.7179 -0.4665 O.3 1 UNL1111111111 -0.5331 4 C -0.4004 -0.2778 -0.1463 C.3 1 UNL1111111111 -0.1931 5 C 0.8170 -0.9258 0.4898 C.3 1 UNL1111111111 -0.3359 6 C -1.6808 -0.9257 0.4088 C.3 1 UNL1111111111 -0.0106 7 H -0.3959 -0.4293 -1.2609 H 1 UNL1111111111 0.1944 8 H 0.7960 -2.0207 0.3145 H 1 UNL1111111111 0.1635 9 H 0.8310 -0.7925 1.5878 H 1 UNL1111111111 0.1579 10 H -1.9452 -0.5792 1.4228 H 1 UNL1111111111 0.1227 11 H -1.6007 -2.0331 0.4198 H 1 UNL1111111111 0.1470 12 H -0.1294 1.6537 1.3664 H 1 UNL1111111111 0.1598 13 H 3.2094 -1.2201 0.1144 H 1 UNL1111111111 0.1541 14 H -3.0043 0.2320 -0.5157 H 1 UNL1111111111 0.3235 @BOND 1 1 4 1 2 1 12 1 3 2 5 1 4 2 13 1 5 3 6 1 6 3 14 1 7 4 5 1 8 4 6 1 9 4 7 1 10 5 8 1 11 5 9 1 12 6 10 1 13 6 11 1