@MOLECULE (7r)-7-{[(2r)-2-hydroxy-2-phenylacetyl]amino}-8-oxo-3-({[1-(sulfomethyl)-1h-tetrazol-5-yl]sulfanyl}methyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid 35 40 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 S 0.9172 -0.1850 0.4336 S.3 1 UNL1 1.3295 2 S -1.8536 -1.1277 0.7851 S.3 1 UNL1 0.2026 3 S -5.9437 -2.6997 0.5313 S.3 1 UNL1 1.4578 4 O 4.2301 3.5037 0.8381 O.2 1 UNL1 -0.1206 5 O -2.2885 3.3224 -0.2977 O.3 1 UNL1 -0.2616 6 O 5.4026 0.4829 0.0883 O.2 1 UNL1 -0.1813 7 O -0.7238 4.9155 -0.0138 O.2 1 UNL1 -0.3280 8 O 2.7532 -2.0304 0.0517 O.3 1 UNL1 0.2510 9 O -4.5462 -2.3997 0.5643 O.2 1 UNL1 -0.7763 10 O -6.8826 -2.3691 1.5432 O.2 1 UNL1 -0.6753 11 O -2.8801 -2.0140 -1.5830 O.2 1 UNL1 -0.2970 12 N 1.1364 2.4581 0.2739 N.2 1 UNL1 -0.2116 13 N 1.5873 -1.5574 -0.2364 N.4 1 UNL1 -0.5003 14 N -3.7676 -0.0336 -0.8511 N.ar 1 UNL1 -0.3170 15 N -4.7738 1.9405 -0.7569 N.ar 1 UNL1 -0.2035 16 N -5.0834 -0.1773 -1.2029 N.ar 1 UNL1 -0.0768 17 N -5.6434 0.9869 -1.1340 N.ar 1 UNL1 -0.0204 18 C 1.7592 1.2272 0.3467 C.2 1 UNL1 -0.2855 19 C 3.2053 1.2678 0.3905 C.2 1 UNL1 -0.3277 20 C 3.7617 2.4777 0.6339 C.1 1 UNL1 0.5908 21 C -0.1478 2.5202 0.1607 C.2 1 UNL1 -0.0158 22 C -1.1095 1.3985 0.0995 C.2 1 UNL1 -0.0687 23 C -0.6737 0.0696 0.3633 C.3 1 UNL1 -0.6110 24 C -2.3189 1.9322 -0.2236 C.3 1 UNL1 0.1070 25 C 4.0393 0.1459 0.1505 C.ar 1 UNL1 0.1884 26 C -0.9670 3.7535 -0.0343 C.2 1 UNL1 0.5507 27 C 3.8611 -1.2067 -0.0319 C.ar 1 UNL1 -0.1844 28 C 5.1338 -1.8219 -0.2345 C.ar 1 UNL1 -0.0386 29 C -3.5730 1.3383 -0.5579 C.ar 1 UNL1 0.1872 30 C 6.0905 -0.6727 -0.1400 C.ar 1 UNL1 0.1760 31 C 5.7647 -3.0045 -0.4674 C.ar 1 UNL1 -0.0203 32 C -2.8754 -1.1822 -0.7420 C.2 1 UNL1 0.5444 33 C 7.4086 -0.9607 -0.2953 C.ar 1 UNL1 -0.1504 34 C 7.0233 -3.1910 -0.6047 C.ar 1 UNL1 -0.0129 35 C 7.8500 -2.1435 -0.5148 C.ar 1 UNL1 0.0995 @BOND 1 11 32 2 2 16 17 ar 3 16 14 ar 4 17 15 ar 5 14 32 am 6 14 29 ar 7 15 29 ar 8 32 2 1 9 34 35 ar 10 34 31 ar 11 29 24 1 12 35 33 ar 13 31 28 ar 14 5 24 1 15 5 26 1 16 33 30 ar 17 13 8 1 18 13 1 1 19 28 30 ar 20 28 27 ar 21 24 22 1 22 30 6 ar 23 26 7 2 24 26 21 1 25 27 8 1 26 27 25 ar 27 6 25 ar 28 22 21 2 29 22 23 1 30 25 19 1 31 21 12 1 32 12 18 2 33 18 19 1 34 18 1 1 35 23 1 1 36 23 2 1 37 19 20 2 38 3 9 2 39 3 10 2 40 20 4 2