@MOLECULE 1,3-dimercapto-2-propanol 14 13 0 0 0 SMALL GASTEIGER @ATOM 1 S -2.4710 -0.6928 -0.1187 S.3 1 UNL1111111111 -0.1767 2 S 2.4524 -0.7357 -0.1621 S.3 1 UNL1111111111 -0.1700 3 O -0.4176 1.9777 -0.1590 O.3 1 UNL1111111111 -0.5679 4 C 0.0071 0.6245 -0.2118 C.3 1 UNL1111111111 0.1749 5 C -0.8956 -0.2281 0.6866 C.3 1 UNL1111111111 -0.3911 6 C 1.4437 0.7052 0.3223 C.3 1 UNL1111111111 -0.3609 7 H -0.0154 0.3039 -1.2796 H 1 UNL1111111111 0.1345 8 H -1.1647 0.3528 1.5961 H 1 UNL1111111111 0.1888 9 H -0.3788 -1.1320 1.0482 H 1 UNL1111111111 0.1633 10 H 1.4548 0.8721 1.4133 H 1 UNL1111111111 0.1702 11 H 1.9340 1.6098 -0.1077 H 1 UNL1111111111 0.1967 12 H -1.3276 2.0795 -0.5029 H 1 UNL1111111111 0.3300 13 H -2.0211 -1.5745 -1.0202 H 1 UNL1111111111 0.1578 14 H 2.1233 -1.5956 0.8085 H 1 UNL1111111111 0.1504 @BOND 1 1 5 1 2 1 13 1 3 2 6 1 4 2 14 1 5 3 4 1 6 3 12 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