@MOLECULE s-(2-acetamidoethyl)-l-cysteine 27 26 0 0 0 SMALL GASTEIGER @ATOM 1 S1 0.2979 2.0772 -0.0653 S.3 1 <1> -0.0303 2 O1 3.3236 -0.7469 1.1351 O.3 1 <1> -0.5643 3 O2 1.1234 -1.0506 1.2174 O.2 1 <1> -0.5284 4 O3 -3.4926 -0.6750 -0.6010 O.2 1 <1> -0.5577 5 N1 -1.7089 -0.3929 0.7571 N.am 1 <1> -0.6155 6 N2 2.6247 -0.8852 -1.6544 N.3 1 <1> -0.6442 7 C1 2.1677 0.1468 -0.6949 C.3 1 <1> 0.0043 8 C2 0.8039 0.6758 -1.1372 C.3 1 <1> -0.3585 9 C3 -1.5285 1.9604 -0.0330 C.3 1 <1> -0.3468 10 C4 -2.0633 0.9972 1.0363 C.3 1 <1> -0.0537 11 C5 2.0720 -0.6013 0.6337 C.2 1 <1> 0.6623 12 C6 -2.4690 -1.1319 -0.1295 C.2 1 <1> 0.6042 13 C7 -1.9680 -2.5157 -0.4316 C.3 1 <1> -0.5285 14 H1 2.9104 0.9866 -0.5821 H 1 <1> 0.1604 15 H2 0.8417 1.0266 -2.1863 H 1 <1> 0.1684 16 H3 0.0483 -0.1364 -1.1203 H 1 <1> 0.1891 17 H4 -1.9201 1.6726 -1.0286 H 1 <1> 0.1770 18 H5 -1.9006 2.9862 0.1579 H 1 <1> 0.1713 19 H6 -3.1804 1.0876 1.0747 H 1 <1> 0.1677 20 H7 -1.6868 1.2656 2.0501 H 1 <1> 0.1479 21 H8 -0.7888 -0.6990 1.0522 H 1 <1> 0.3398 22 H9 3.5808 -1.1617 -1.4827 H 1 <1> 0.2686 23 H10 2.5238 -0.5901 -2.6117 H 1 <1> 0.2648 24 H11 -2.6173 -3.2643 0.0484 H 1 <1> 0.1844 25 H12 -2.0086 -2.7048 -1.5151 H 1 <1> 0.1821 26 H13 -0.9395 -2.7021 -0.0956 H 1 <1> 0.1742 27 H14 3.3601 -1.2420 1.9914 H 1 <1> 0.3614 @BOND 1 1 8 1 2 1 9 1 3 2 11 1 4 2 27 1 5 3 11 2 6 4 12 2 7 5 10 1 8 5 12 am 9 5 21 1 10 6 7 1 11 6 22 1 12 6 23 1 13 7 8 1 14 7 11 1 15 7 14 1 16 8 15 1 17 8 16 1 18 9 10 1 19 9 17 1 20 9 18 1 21 10 19 1 22 10 20 1 23 12 13 1 24 13 24 1 25 13 25 1 26 13 26 1