@MOLECULE s-(1-carboxyethyl)-l-cysteine 23 22 0 0 0 SMALL GASTEIGER @ATOM 1 S1 -0.3839 0.5924 0.8941 S.3 1 <1> 0.0403 2 O1 2.5625 1.3986 -0.9164 O.3 1 <1> -0.5542 3 O2 -2.3754 -1.6554 -0.4444 O.3 1 <1> -0.5801 4 O3 3.3627 0.3901 0.9081 O.2 1 <1> -0.5001 5 O4 -3.7473 -0.1319 0.4278 O.2 1 <1> -0.4804 6 N1 2.4079 -2.0108 -0.5877 N.3 1 <1> -0.6326 7 C1 1.6700 -0.7484 -0.4554 C.3 1 <1> 0.0133 8 C2 0.5910 -0.9226 0.6200 C.3 1 <1> -0.3579 9 C3 -1.5878 0.5489 -0.5045 C.3 1 <1> -0.2237 10 C4 -2.1305 1.9460 -0.7454 C.3 1 <1> -0.4334 11 C5 2.6130 0.3784 -0.0300 C.2 1 <1> 0.5791 12 C6 -2.6983 -0.3751 -0.1018 C.2 1 <1> 0.6280 13 H1 1.2087 -0.5076 -1.4540 H 1 <1> 0.1779 14 H2 -0.0637 -1.7818 0.3477 H 1 <1> 0.2022 15 H3 1.0428 -1.1951 1.5977 H 1 <1> 0.1867 16 H4 -1.0786 0.1662 -1.4253 H 1 <1> 0.1868 17 H5 -2.6857 2.3393 0.1220 H 1 <1> 0.1741 18 H6 -2.8363 1.9569 -1.5895 H 1 <1> 0.1591 19 H7 -1.3362 2.6675 -0.9851 H 1 <1> 0.1663 20 H8 2.9053 -2.2641 0.2534 H 1 <1> 0.2693 21 H9 3.0389 -2.0148 -1.3722 H 1 <1> 0.2636 22 H10 3.1334 2.1707 -0.6767 H 1 <1> 0.3569 23 H11 -3.0615 -2.3200 -0.1932 H 1 <1> 0.3588 @BOND 1 1 8 1 2 1 9 1 3 2 11 1 4 2 22 1 5 3 12 1 6 3 23 1 7 4 11 2 8 5 12 2 9 6 7 1 10 6 20 1 11 6 21 1 12 7 8 1 13 7 11 1 14 7 13 1 15 8 14 1 16 8 15 1 17 9 10 1 18 9 12 1 19 9 16 1 20 10 17 1 21 10 18 1 22 10 19 1