@MOLECULE 2,3-disulfanylpropanoic acid 13 12 0 0 0 SMALL GASTEIGER @ATOM 1 S -0.4143 -1.8664 -0.3331 S.3 1 UNL1111111111111 -0.1250 2 S 2.1769 0.4933 -0.1628 S.3 1 UNL1111111111111 -0.1846 3 O -2.3841 0.8750 0.4275 O.3 1 UNL1111111111111 -0.5436 4 O -0.7375 1.4161 -0.9707 O.2 1 UNL1111111111111 -0.5137 5 C -0.4054 -0.3437 0.6966 C.3 1 UNL1111111111111 -0.2466 6 C 0.9619 0.1244 1.1607 C.3 1 UNL1111111111111 -0.3221 7 C -1.1306 0.7281 -0.0645 C.2 1 UNL1111111111111 0.6346 8 H -1.0131 -0.6283 1.6078 H 1 UNL1111111111111 0.2084 9 H 1.4427 -0.6519 1.7986 H 1 UNL1111111111111 0.1861 10 H 0.8581 1.0156 1.8152 H 1 UNL1111111111111 0.1709 11 H 0.4314 -1.5150 -1.3147 H 1 UNL1111111111111 0.1824 12 H 1.5362 1.4802 -0.8138 H 1 UNL1111111111111 0.1922 13 H -2.9290 1.5445 -0.0615 H 1 UNL1111111111111 0.3610 @BOND 1 1 5 1 2 1 11 1 3 2 6 1 4 2 12 1 5 3 7 1 6 3 13 1 7 4 7 2 8 5 6 1 9 5 7 1 10 5 8 1 11 6 9 1 12 6 10 1