@MOLECULE s-(2,3-dihydroxyphenyl)-l-cysteine 26 26 0 0 0 SMALL GASTEIGER @ATOM 1 S1 -0.4283 0.9106 -0.7227 S.3 1 <1> 0.0257 2 O1 2.4850 1.9160 -0.3530 O.3 1 <1> -0.4918 3 O2 -4.0939 -0.3795 -1.1990 O.3 1 <1> -0.5750 4 O3 4.6164 0.4024 0.2588 O.3 1 <1> -0.4454 5 O4 -2.6083 -1.6399 -0.1053 O.2 1 <1> -0.4849 6 N1 -3.7199 0.6230 1.6954 N.3 1 <1> -0.6510 7 C1 -2.9003 0.7496 0.4739 C.3 1 <1> 0.0072 8 C2 -1.4184 0.8830 0.8268 C.3 1 <1> -0.3587 9 C3 0.9980 -0.0312 -0.2663 C.ar 1 <1> -0.2059 10 C4 2.2352 0.5944 -0.1649 C.ar 1 <1> 0.1755 11 C5 0.9075 -1.4093 -0.0428 C.ar 1 <1> -0.1261 12 C6 -3.1289 -0.5724 -0.2617 C.2 1 <1> 0.6463 13 C7 3.3876 -0.1614 0.1494 C.ar 1 <1> 0.1844 14 C8 2.0426 -2.1485 0.2702 C.ar 1 <1> -0.1558 15 C9 3.2927 -1.5312 0.3663 C.ar 1 <1> -0.1747 16 H1 -3.2407 1.6030 -0.1773 H 1 <1> 0.1594 17 H2 -1.2247 1.8081 1.3957 H 1 <1> 0.1637 18 H3 -1.0979 0.0367 1.4733 H 1 <1> 0.1943 19 H4 -0.0620 -1.9171 -0.1152 H 1 <1> 0.1852 20 H5 -4.6729 0.9185 1.5518 H 1 <1> 0.2673 21 H6 -3.3232 1.0891 2.4913 H 1 <1> 0.2663 22 H7 1.9597 -3.2217 0.4400 H 1 <1> 0.1633 23 H8 4.1874 -2.1032 0.6070 H 1 <1> 0.1788 24 H9 1.6608 2.4504 -0.4989 H 1 <1> 0.3547 25 H10 -4.3185 -1.1870 -1.7196 H 1 <1> 0.3560 26 H11 4.5718 1.3784 0.0854 H 1 <1> 0.3411 @BOND 1 1 8 1 2 1 9 1 3 2 10 1 4 2 24 1 5 3 12 1 6 3 25 1 7 4 13 1 8 4 26 1 9 5 12 2 10 6 7 1 11 6 20 1 12 6 21 1 13 7 8 1 14 7 12 1 15 7 16 1 16 8 17 1 17 8 18 1 18 9 10 ar 19 9 11 ar 20 10 13 ar 21 11 14 ar 22 11 19 1 23 13 15 ar 24 14 15 ar 25 14 22 1 26 15 23 1