@MOLECULE 3-(sulfodisulfanyl)-l-alanine 19 18 0 0 0 SMALL GASTEIGER @ATOM 1 S1 -0.3018 1.5358 -0.4010 S.3 1 <1> 0.1893 2 S2 2.5401 -0.2534 -0.0721 S.O2 1 <1> 2.3072 3 S3 1.0670 0.8517 0.8731 S.3 1 <1> -0.3586 4 O1 -3.9083 -0.7038 1.2136 O.3 1 <1> -0.5719 5 O2 -3.7167 1.0224 -0.1900 O.2 1 <1> -0.4801 6 O3 2.6827 -1.4880 1.0176 O.3 1 <1> -0.8173 7 O4 1.9744 -0.7938 -1.2768 O.2 1 <1> -0.8740 8 O5 3.8225 0.3882 -0.0652 O.2 1 <1> -0.8567 9 N1 -2.3583 -1.9896 -0.7745 N.3 1 <1> -0.6371 10 C1 -1.9730 -0.7195 -0.1155 C.3 1 <1> -0.0046 11 C2 -1.1778 0.1193 -1.1179 C.3 1 <1> -0.3924 12 C3 -3.2701 -0.0025 0.2418 C.2 1 <1> 0.6214 13 H1 -1.3971 -0.9001 0.8358 H 1 <1> 0.1623 14 H2 -0.4700 -0.5264 -1.6947 H 1 <1> 0.2128 15 H3 -1.8604 0.5311 -1.9012 H 1 <1> 0.2072 16 H4 -2.9500 -2.5525 -0.1792 H 1 <1> 0.2696 17 H5 -1.5416 -2.5198 -1.0426 H 1 <1> 0.2673 18 H6 -4.7778 -0.3161 1.4837 H 1 <1> 0.3632 19 H7 3.5823 -1.7659 1.2523 H 1 <1> 0.3924 @BOND 1 1 3 1 2 1 11 1 3 2 3 1 4 2 6 1 5 2 7 2 6 2 8 2 7 4 12 1 8 4 18 1 9 5 12 2 10 6 19 1 11 9 10 1 12 9 16 1 13 9 17 1 14 10 11 1 15 10 12 1 16 10 13 1 17 11 14 1 18 11 15 1