@MOLECULE (Z)-2-amino-3-sulfanyl-prop-2-enoic acid 12 11 0 0 0 SMALL GASTEIGER @ATOM 1 N 0.0722 1.6180 0.2770 N.pl3 1 CYS111111111 -0.5741 2 CA 0.1711 0.2584 0.0464 C.2 1 CYS111111111 0.1452 3 C 1.5560 -0.3066 0.0185 C.2 1 CYS111111111 0.6124 4 O 1.8949 -1.4394 0.2235 O.2 1 CYS111111111 -0.4576 5 CB -0.8528 -0.6180 -0.0655 C.2 1 CYS111111111 -0.3741 6 SG -2.5268 -0.1211 -0.0355 S.3 1 CYS111111111 -0.1154 7 OXT 2.4637 0.6475 -0.3216 O.3 1 CYS111111111 -0.5690 8 H1 0.8825 2.1855 0.1051 H 1 CYS111111111 0.3072 9 H2 -0.8072 2.0736 0.1171 H 1 CYS111111111 0.3051 10 HB -0.6556 -1.6889 -0.1342 H 1 CYS111111111 0.1946 11 HXT 3.3955 0.3118 -0.3506 H 1 CYS111111111 0.3668 12 HG -3.0532 -1.0072 -0.8927 H 1 CYS111111111 0.1588 @BOND 1 1 2 1 2 1 8 1 3 1 9 1 4 2 3 1 5 2 5 2 6 3 4 2 7 3 7 1 8 5 6 1 9 5 10 1 10 6 12 1 11 7 11 1