@MOLECULE (6r,7r)-7-{[(2z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-8-oxo-3-(sulfanylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid 42 44 0 0 0 SMALL GASTEIGER @ATOM 1 S 2.2104 0.5304 2.2883 S.3 1 UNL1111111 0.0111 2 S 6.5389 -0.3051 0.5205 S.3 1 UNL1111111 -0.1657 3 S -4.2958 -2.8072 0.8394 S.2 1 UNL1111111 0.1577 4 O 1.6673 2.1193 -1.8856 O.2 1 UNL1111111 -0.3887 5 O 2.7205 -0.5262 -2.8344 O.3 1 UNL1111111 -0.4927 6 OXT 4.8510 -0.1879 -2.2707 O.2 1 UNL1111111 -0.5188 7 O -1.6592 1.1851 2.0585 O.2 1 UNL1111111 -0.4747 8 O -5.2435 1.8356 -0.4598 O.2 1 UNL1111111 -0.0964 9 N 1.9111 0.2594 -0.4118 N.am 1 UNL1111111 -0.4701 10 N -0.9670 1.4415 -0.0878 N.am 1 UNL1111111 -0.5811 11 N -3.9805 2.0862 -0.0046 N.2 1 UNL1111111 -0.1437 12 N -4.0914 -0.8959 -0.9570 N.ar 1 UNL1111111 -0.4884 13 N -4.7326 -2.9567 -1.9274 N.pl3 1 UNL1111111 -0.5751 14 C 1.1148 0.2933 0.8430 C.3 1 UNL1111111 -0.0183 15 CA 0.4123 1.6016 0.3005 C.3 1 UNL1111111 0.0169 16 C 1.4080 1.4894 -0.9166 C.2 1 UNL1111111 0.5528 17 CA 3.1759 -0.3120 -0.5410 C.2 1 UNL1111111 0.0236 18 C 3.8739 -0.8416 0.4931 C.2 1 UNL1111111 0.0074 19 C 3.3892 -0.8220 1.9016 C.3 1 UNL1111111 -0.3390 20 C 5.1801 -1.5233 0.2960 C.3 1 UNL1111111 -0.3370 21 C 3.7007 -0.3207 -1.9325 C.2 1 UNL1111111 0.6383 22 C -1.9283 1.2389 0.8825 C.2 1 UNL1111111 0.6020 23 C -3.3183 1.0323 0.3345 C.2 1 UNL1111111 -0.0234 24 C -3.7272 -0.3729 0.2854 C.ar 1 UNL1111111 0.1486 25 C -3.7746 -1.2284 1.3510 C.ar 1 UNL1111111 -0.3722 26 C -4.4191 -2.1815 -0.8529 C.ar 1 UNL1111111 0.2821 27 C -5.8698 3.0911 -0.7692 C.3 1 UNL1111111 -0.2392 28 H 0.4528 -0.5853 0.9599 H 1 UNL1111111 0.1854 29 HA 0.5630 2.5092 0.9247 H 1 UNL1111111 0.1915 30 H 2.9229 -1.7981 2.1566 H 1 UNL1111111 0.1784 31 H 4.2351 -0.6936 2.6159 H 1 UNL1111111 0.1944 32 H -1.1923 1.4215 -1.0748 H 1 UNL1111111 0.3402 33 H 5.2708 -2.0126 -0.6966 H 1 UNL1111111 0.1835 34 H 5.3459 -2.3357 1.0333 H 1 UNL1111111 0.1762 35 H 6.4258 0.3664 -0.6393 H 1 UNL1111111 0.1933 36 H 3.0441 -0.4722 -3.7753 H 1 UNL1111111 0.3556 37 H -3.5295 -0.9961 2.3753 H 1 UNL1111111 0.2103 38 H -5.1862 -3.8384 -1.8150 H 1 UNL1111111 0.3119 39 H -4.8152 -2.5169 -2.8294 H 1 UNL1111111 0.3198 40 H -6.8537 2.7620 -1.1230 H 1 UNL1111111 0.1486 41 H -5.3246 3.6193 -1.5576 H 1 UNL1111111 0.1479 42 H -5.9576 3.7183 0.1226 H 1 UNL1111111 0.1470 @BOND 1 1 14 1 2 1 19 1 3 2 20 1 4 2 35 1 5 3 25 ar 6 3 26 ar 7 4 16 2 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