@MOLECULE s-(methylcarbamoyl)-l-cysteine 21 20 0 0 0 SMALL GASTEIGER @ATOM 1 S1 -0.5709 0.4491 1.2597 S.3 1 <1> -0.0504 2 O1 1.7653 1.3610 -1.3780 O.3 1 <1> -0.5423 3 O2 3.0725 0.9451 0.3856 O.2 1 <1> -0.5090 4 O3 -1.6905 -1.2377 -0.4820 O.2 1 <1> -0.5251 5 N1 2.4133 -1.7806 -0.5505 N.3 1 <1> -0.6343 6 N2 -2.9350 0.6124 -0.0254 N.am 1 <1> -0.5519 7 C1 1.4210 -0.7238 -0.3193 C.3 1 <1> 0.0018 8 C2 0.7105 -0.8325 1.0407 C.3 1 <1> -0.3682 9 C3 2.1994 0.5865 -0.3578 C.2 1 <1> 0.6363 10 C4 -1.8400 -0.1890 0.1020 C.2 1 <1> 0.5276 11 C5 -4.0228 0.2188 -0.9255 C.3 1 <1> -0.2323 12 H1 0.6736 -0.7617 -1.1673 H 1 <1> 0.2008 13 H2 0.2535 -1.8387 1.1439 H 1 <1> 0.1858 14 H3 1.4296 -0.7172 1.8787 H 1 <1> 0.1863 15 H4 1.9870 -2.6748 -0.7297 H 1 <1> 0.2686 16 H5 3.0896 -1.8562 0.1930 H 1 <1> 0.2653 17 H6 -3.0439 1.4897 0.4567 H 1 <1> 0.3217 18 H7 -4.1544 0.9696 -1.7240 H 1 <1> 0.1446 19 H8 -4.9682 0.1148 -0.3655 H 1 <1> 0.1438 20 H9 -3.8089 -0.7551 -1.4106 H 1 <1> 0.1787 21 H10 2.2481 2.2210 -1.4568 H 1 <1> 0.3521 @BOND 1 1 8 1 2 1 10 1 3 2 9 1 4 2 21 1 5 3 9 2 6 4 10 2 7 5 7 1 8 5 15 1 9 5 16 1 10 6 10 am 11 6 11 1 12 6 17 1 13 7 8 1 14 7 9 1 15 7 12 1 16 8 13 1 17 8 14 1 18 11 18 1 19 11 19 1 20 11 20 1