@MOLECULE s-(2-hydroxyethyl)-l-cysteine 21 20 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 S1 0.6920 1.1950 -0.5349 S.3 1 <1> 0.0410 2 O1 2.3370 -1.4552 -0.3516 O.3 1 <1> -0.5936 3 O2 -2.4559 -0.9645 -0.9442 O.co2 1 <1> -0.7088 4 O3 -2.9207 0.9770 0.1407 O.co2 1 <1> -0.5792 5 N1 -0.4546 -1.6420 0.3338 N.4 1 <1> -0.2880 6 C1 -1.0788 -0.3977 0.9199 C.3 1 <1> -0.2563 7 C2 -0.1644 0.7920 1.0377 C.3 1 <1> -0.3479 8 C3 2.4694 0.9799 -0.1431 C.3 1 <1> -0.4109 9 C4 -2.3463 -0.0512 -0.1164 C.2 1 <1> 0.7284 10 C5 2.8544 -0.3807 0.4135 C.3 1 <1> 0.0143 11 H1 -1.5578 -0.6338 1.8898 H 1 <1> 0.1614 12 H2 -0.8021 1.6836 1.2840 H 1 <1> 0.2138 13 H3 0.5526 0.6960 1.8683 H 1 <1> 0.1457 14 H4 -1.0821 -1.8788 -0.5314 H 1 <1> 0.3569 15 H5 -0.4753 -2.4201 0.9895 H 1 <1> 0.2605 16 H6 0.5172 -1.4957 0.0181 H 1 <1> 0.3071 17 H7 2.9983 1.1814 -1.0976 H 1 <1> 0.1750 18 H8 2.7987 1.7778 0.5508 H 1 <1> 0.1716 19 H9 2.4419 -0.5769 1.4223 H 1 <1> 0.1371 20 H10 3.9558 -0.5028 0.4579 H 1 <1> 0.1291 21 H11 2.5448 -1.3479 -1.3037 H 1 <1> 0.3430 @BOND 1 21 2 1 2 17 8 1 3 3 9 ar 4 1 8 1 5 1 7 1 6 14 5 1 7 2 10 1 8 8 10 1 9 8 18 1 10 9 4 ar 11 9 6 1 12 16 5 1 13 5 6 1 14 5 15 1 15 10 20 1 16 10 19 1 17 6 7 1 18 6 11 1 19 7 12 1 20 7 13 1