@MOLECULE 3-(oxido-lambda~4~-sulfanyl)-l-alanine 15 14 0 0 0 SMALL GASTEIGER @ATOM 1 N1 -1.4958 -1.9059 0.3917 N.3 1 <1> -0.6376 2 C1 -0.6247 -0.7244 0.3834 C.3 1 <1> 0.0344 3 C2 0.5216 -0.9533 -0.6044 C.3 1 <1> -0.5153 4 S1 1.8229 0.3384 -0.4137 S.O 1 <1> 0.8984 5 C3 -1.4150 0.5090 -0.0652 C.2 1 <1> 0.5722 6 O1 -1.8770 0.7327 -1.1525 O.2 1 <1> -0.5142 7 O2 -1.6016 1.3531 0.9726 O.3 1 <1> -0.5461 8 O3 2.4443 0.1265 0.9159 O.2 1 <1> -0.7731 9 H1 -1.9425 -2.0766 -0.4947 H 1 <1> 0.2647 10 H2 -2.1805 -1.8847 1.1295 H 1 <1> 0.2666 11 H3 -0.2279 -0.5756 1.4329 H 1 <1> 0.2003 12 H4 0.9376 -1.9664 -0.4261 H 1 <1> 0.1904 13 H5 0.1557 -0.9480 -1.6468 H 1 <1> 0.1747 14 H6 2.6689 -0.1920 -1.2965 H 1 <1> 0.0299 15 H7 -2.0992 2.1771 0.7439 H 1 <1> 0.3547 @BOND 1 1 2 1 2 1 9 1 3 1 10 1 4 2 3 1 5 2 5 1 6 2 11 1 7 3 4 1 8 3 12 1 9 3 13 1 10 4 8 2 11 4 14 1 12 5 6 2 13 5 7 1 14 7 15 1