@MOLECULE n-acetyl-s-[(e)-1,2-dichlorovinyl]-l-cysteine 23 22 0 0 0 SMALL GASTEIGER @ATOM 1 CL -1.0217 2.2059 -0.6327 Cl 1 UNK1111111111 -0.0593 2 CL 2.6853 1.0073 1.0055 Cl 1 UNK1111111111 -0.0289 3 S 0.9504 0.2341 -1.6357 S.3 1 UNK1111111111 0.1223 4 O 1.1460 -1.8086 1.2893 O.3 1 UNK1111111111 -0.5634 5 O 1.2137 -3.1772 -0.4716 O.2 1 UNK1111111111 -0.4747 6 O -3.2035 -0.7448 -0.1655 O.2 0 UNK0 -0.5319 7 N -1.1546 -0.7398 0.7655 N.am 1 UNK1 -0.6329 8 C -0.6573 -1.6380 -0.2730 C.3 1 UNK1 0.0401 9 C -0.4587 -0.9253 -1.6193 C.3 1 UNK1 -0.3669 10 C 0.6523 -2.3029 0.1291 C.2 1 UNK1 0.6093 11 C -2.4866 -0.3465 0.7279 C.2 0 UNK0 0.6219 12 C -2.9300 0.5559 1.8390 C.3 0 UNK0 -0.5245 13 C 0.4955 1.4252 -0.4226 C.2 1 UNK1 -0.1016 14 C 1.2271 1.7987 0.6235 C.2 1 UNK1 -0.1506 15 H -1.4283 -2.4625 -0.4275 H 1 UNK1 0.1997 16 H -1.4069 -0.4178 -1.9096 H 1 UNK1 0.2059 17 H -0.2569 -1.6677 -2.4226 H 1 UNK1 0.1933 18 H -0.5051 -0.4196 1.4669 H 1 UNK1 0.3346 19 H -4.0220 0.7092 1.7847 H 0 UNK0 0.1925 20 H -2.7064 0.1399 2.8305 H 0 UNK0 0.1764 21 H -2.4662 1.5496 1.7752 H 0 UNK0 0.1794 22 H 2.0324 -2.1799 1.5346 H 1 UNK1 0.3692 23 H 0.9970 2.6001 1.3213 H 1 UNK1 0.1901 @BOND 1 1 13 1 2 2 14 1 3 3 9 1 4 3 13 1 5 4 10 1 6 4 22 1 7 5 10 2 8 6 11 2 9 7 8 1 10 7 11 am 11 7 18 1 12 8 9 1 13 8 10 1 14 8 15 1 15 9 16 1 16 9 17 1 17 11 12 1 18 12 19 1 19 12 20 1 20 12 21 1 21 13 14 2 22 14 23 1