@MOLECULE (6R,7R)-3-(acetoxymethyl)-7-[[(2E)-2-hydroxyimino-2-phenyl-acetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid 46 48 0 0 0 SMALL GASTEIGER @ATOM 1 S 0.2819 0.8379 -0.4086 S.3 1 UNL111111111 -0.0002 2 O 0.7192 -3.5648 0.4581 O.2 1 UNL111111111 -0.3764 3 O 4.8359 1.6114 -0.1150 O.3 1 UNL111111111 -0.4234 4 O 3.5250 -3.3051 -0.3884 O.3 1 UNL111111111 -0.4950 5 OXT 4.3119 -2.1748 1.3691 O.2 1 UNL111111111 -0.4968 6 O -3.1638 -1.4955 -1.8304 O.2 1 UNL111111111 -0.4774 7 O 4.0258 3.2800 1.1569 O.2 1 UNL111111111 -0.5143 8 O -5.4302 -1.0094 1.9591 O.2 1 UNL111111111 -0.2926 9 N 1.5001 -1.6118 -0.6672 N.am 1 UNL111111111 -0.4770 10 N -1.6849 -1.5010 -0.1082 N.am 1 UNL111111111 -0.5687 11 N -4.4922 -1.5719 1.1293 N.2 1 UNL111111111 -0.1345 12 C 0.4725 -0.7476 -1.2983 C.3 1 UNL111111111 -0.0390 13 CA -0.5997 -1.8694 -0.9665 C.3 1 UNL111111111 0.0074 14 C 0.5757 -2.6026 -0.2144 C.2 1 UNL111111111 0.5489 15 CA 2.6607 -1.1456 -0.0524 C.2 1 UNL111111111 0.0504 16 C 2.9554 0.1653 0.1107 C.2 1 UNL111111111 -0.0476 17 C 2.0589 1.2740 -0.3089 C.3 1 UNL111111111 -0.3329 18 C 4.2445 0.6221 0.7255 C.3 1 UNL111111111 -0.0304 19 C 3.5780 -2.2229 0.4143 C.2 1 UNL111111111 0.6289 20 C -2.9391 -1.2980 -0.6600 C.2 1 UNL111111111 0.6038 21 C -3.9599 -0.7388 0.2999 C.2 1 UNL111111111 -0.0052 22 C -4.2146 0.6974 0.1354 C.ar 1 UNL111111111 -0.0563 23 C 4.6949 2.9199 0.2235 C.2 1 UNL111111111 0.6266 24 C -4.4955 1.2142 -1.1316 C.ar 1 UNL111111111 -0.1202 25 C -4.1628 1.5419 1.2470 C.ar 1 UNL111111111 -0.1164 26 C 5.4702 3.7632 -0.7266 C.3 1 UNL111111111 -0.5116 27 C -4.7246 2.5787 -1.2844 C.ar 1 UNL111111111 -0.1550 28 C -4.3858 2.9071 1.0860 C.ar 1 UNL111111111 -0.1574 29 C -4.6670 3.4248 -0.1775 C.ar 1 UNL111111111 -0.1231 30 H 0.6578 -0.5943 -2.3778 H 1 UNL111111111 0.1764 31 HA -0.9503 -2.4094 -1.8779 H 1 UNL111111111 0.2027 32 H 2.1149 2.1251 0.4160 H 1 UNL111111111 0.2072 33 H 2.3988 1.6864 -1.2842 H 1 UNL111111111 0.1817 34 H -1.4954 -1.3166 0.8684 H 1 UNL111111111 0.3344 35 H 5.0425 -0.1516 0.7587 H 1 UNL111111111 0.1794 36 H 4.0844 1.0046 1.7571 H 1 UNL111111111 0.1740 37 H 4.0852 -4.0584 -0.0565 H 1 UNL111111111 0.3550 38 H -4.5348 0.5477 -1.9972 H 1 UNL111111111 0.1759 39 H -3.9509 1.1338 2.2349 H 1 UNL111111111 0.1607 40 H 4.8531 4.5930 -1.1062 H 1 UNL111111111 0.1860 41 H 6.3408 4.2125 -0.2203 H 1 UNL111111111 0.1893 42 H 5.8491 3.1953 -1.5916 H 1 UNL111111111 0.1879 43 H -4.9454 2.9844 -2.2701 H 1 UNL111111111 0.1553 44 H -4.3413 3.5693 1.9487 H 1 UNL111111111 0.1539 45 H -4.8421 4.4922 -0.3000 H 1 UNL111111111 0.1504 46 H -5.7653 -1.8065 2.4823 H 1 UNL111111111 0.3152 @BOND 1 1 12 1 2 1 17 1 3 2 14 2 4 3 18 1 5 3 23 1 6 4 19 1 7 4 37 1 8 5 19 2 9 6 20 2 10 7 23 2 11 8 11 1 12 8 46 1 13 9 12 1 14 9 14 am 15 9 15 1 16 10 13 1 17 10 20 am 18 10 34 1 19 11 21 2 20 12 13 1 21 12 30 1 22 13 14 1 23 13 31 1 24 15 16 2 25 15 19 1 26 16 17 1 27 16 18 1 28 17 32 1 29 17 33 1 30 18 35 1 31 18 36 1 32 20 21 1 33 21 22 1 34 22 24 ar 35 22 25 ar 36 23 26 1 37 24 27 ar 38 24 38 1 39 25 28 ar 40 25 39 1 41 26 40 1 42 26 41 1 43 26 42 1 44 27 29 ar 45 27 43 1 46 28 29 ar 47 28 44 1 48 29 45 1