@MOLECULE 1,2-dithiolane-4-carboxylic acid 14 14 0 0 0 SMALL USER_CHARGES @ATOM 1 S 1.2890 1.1541 0.4645 S.3 1 UNL111111 -0.0125 2 S 1.7698 -0.8435 0.2265 S.3 1 UNL111111 -0.0124 3 O -2.4507 0.8940 0.1426 O.3 1 UNL111111 -0.5631 4 O -1.9750 -1.1785 0.8068 O.2 1 UNL111111 -0.4814 5 C -0.6463 -0.1395 -0.9686 C.3 1 UNL111111 -0.1714 6 C 0.0711 1.2089 -0.9064 C.3 1 UNL111111 -0.3274 7 C 0.3374 -1.3037 -0.8375 C.3 1 UNL111111 -0.3360 8 C -1.7112 -0.2440 0.1014 C.2 1 UNL111111 0.6278 9 H -1.1797 -0.2181 -1.9595 H 1 UNL111111 0.1864 10 H 0.5769 1.4379 -1.8634 H 1 UNL111111 0.1702 11 H -0.6324 2.0476 -0.7203 H 1 UNL111111 0.1938 12 H -0.1490 -2.2025 -0.4000 H 1 UNL111111 0.1942 13 H 0.7282 -1.6075 -1.8266 H 1 UNL111111 0.1694 14 H -3.1601 0.8789 0.8339 H 1 UNL111111 0.3623 @BOND 1 9 5 1 2 10 6 1 3 13 7 1 4 5 6 1 5 5 7 1 6 5 8 1 7 6 11 1 8 6 1 1 9 7 12 1 10 7 2 1 11 8 3 1 12 8 4 2 13 3 14 1 14 2 1 1