@MOLECULE (6r,7r)-7-{[(2z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-3-(hydroxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid 42 44 0 0 0 SMALL GASTEIGER @ATOM 1 S -1.2221 -1.6882 2.1884 S.3 1 UNL111111111 0.0289 2 S 2.0145 3.6898 -0.2716 S.2 1 UNL111111111 0.1527 3 O -0.9572 -1.1251 -2.4981 O.2 1 UNL111111111 -0.3475 4 O -3.2368 2.1882 0.7767 O.3 1 UNL111111111 -0.5804 5 O -2.7807 1.1791 -1.6755 O.3 1 UNL111111111 -0.5867 6 OXT -4.3933 -0.3064 -2.1167 O.2 1 UNL111111111 -0.4096 7 O 2.5753 -2.1966 -1.2935 O.2 1 UNL111111111 -0.4725 8 O 4.7734 -1.5631 0.1708 O.2 1 UNL111111111 -0.0896 9 N -2.1145 -1.7078 -0.4946 N.am 1 UNL111111111 -0.4945 10 N 0.9553 -1.4217 0.1015 N.am 1 UNL111111111 -0.5822 11 N 4.3009 -0.2845 0.2334 N.2 1 UNL111111111 -0.1491 12 N 1.1698 1.3140 0.4404 N.ar 1 UNL111111111 -0.5509 13 N -0.4242 2.9952 0.9380 N.pl3 1 UNL111111111 -0.5566 14 C -1.3246 -2.4529 0.5309 C.3 1 UNL111111111 -0.0341 15 CA -0.0419 -2.3256 -0.3904 C.3 1 UNL111111111 0.0285 16 C -0.9904 -1.6030 -1.4206 C.2 1 UNL111111111 0.5236 17 CA -2.9341 -0.6211 -0.1950 C.2 1 UNL111111111 0.0834 18 C -3.2552 -0.1895 1.0436 C.2 1 UNL111111111 -0.1251 19 C -2.8817 -0.9150 2.2796 C.3 1 UNL111111111 -0.3215 20 C -4.0111 1.0955 1.2330 C.3 1 UNL111111111 0.0097 21 C -3.4768 0.0285 -1.4280 C.2 1 UNL111111111 0.6271 22 C 2.1978 -1.3532 -0.5137 C.2 1 UNL111111111 0.5769 23 C 3.0490 -0.1793 -0.0884 C.2 1 UNL111111111 -0.0192 24 C 2.4674 1.1713 -0.0660 C.ar 1 UNL111111111 0.1890 25 C 3.0706 2.3207 -0.4952 C.ar 1 UNL111111111 -0.3590 26 C 0.7633 2.5803 0.4200 C.ar 1 UNL111111111 0.3094 27 C 6.1440 -1.5659 0.6005 C.3 1 UNL111111111 -0.2410 28 H -1.7004 -3.4944 0.6141 H 1 UNL111111111 0.1772 29 HA 0.3862 -3.2857 -0.7541 H 1 UNL111111111 0.2002 30 H -3.6439 -1.6920 2.5104 H 1 UNL111111111 0.1775 31 H -2.8517 -0.2437 3.1659 H 1 UNL111111111 0.1813 32 H 0.6258 -0.5898 0.6185 H 1 UNL111111111 0.3667 33 H -4.9833 1.0976 0.6997 H 1 UNL111111111 0.1357 34 H -4.1921 1.3470 2.2966 H 1 UNL111111111 0.1533 35 H -3.0079 2.0652 -0.1702 H 1 UNL111111111 0.3393 36 H -3.0034 1.6047 -2.5443 H 1 UNL111111111 0.3725 37 H 4.0580 2.4140 -0.9118 H 1 UNL111111111 0.2014 38 H -0.7887 3.9002 0.7057 H 1 UNL111111111 0.3081 39 H -1.1416 2.3026 1.1293 H 1 UNL111111111 0.3329 40 H 6.7541 -0.8889 -0.0052 H 1 UNL111111111 0.1492 41 H 6.4258 -2.6112 0.4260 H 1 UNL111111111 0.1513 42 H 6.2193 -1.3039 1.6597 H 1 UNL111111111 0.1437 @BOND 1 1 14 1 2 1 19 1 3 2 25 ar 4 2 26 ar 5 3 16 2 6 4 20 1 7 4 35 1 8 5 21 1 9 5 36 1 10 6 21 2 11 7 22 2 12 8 11 1 13 8 27 1 14 9 14 1 15 9 16 am 16 9 17 1 17 10 15 1 18 10 22 am 19 10 32 1 20 11 23 2 21 12 24 ar 22 12 26 ar 23 13 26 1 24 13 38 1 25 13 39 1 26 14 15 1 27 14 28 1 28 15 16 1 29 15 29 1 30 17 18 2 31 17 21 1 32 18 19 1 33 18 20 1 34 19 30 1 35 19 31 1 36 20 33 1 37 20 34 1 38 22 23 1 39 23 24 1 40 24 25 ar 41 25 37 1 42 27 40 1 43 27 41 1 44 27 42 1