@MOLECULE 7-{[(4-hydroxyphenyl){[(6-methyl-4-oxo-1,4-dihydro-3-pyridinyl)carbonyl]amino}acetyl]amino}-3-{[(1-methyl-1h-tetrazol-5-yl)sulfanyl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate 42 46 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C 0.7333 5.9296 -2.1623 C.2 1 UNL1 0.6747 2 C 1.4257 4.9382 -1.5627 C.2 1 UNL1 -0.5206 3 C 2.7414 5.2003 -1.1618 C.3 1 UNL1 0.0700 4 C 3.5230 4.0901 -0.4948 C.2 1 UNL1 0.3642 5 O 4.4286 4.2687 0.2562 O.2 1 UNL1 -0.2394 6 C 3.0344 2.7024 -0.9387 C.2 1 UNL1 -0.3961 7 C 1.7293 2.8208 -1.1260 C.2 1 UNL1 0.3121 8 N 0.7942 3.6579 -1.1895 N.pl3 1 UNL1 -0.3688 9 C 3.9914 1.6355 -1.2424 C.2 1 UNL1 0.6591 10 O 5.1446 1.8224 -1.5360 O.2 1 UNL1 -0.4155 11 N 3.3615 0.3830 -1.2882 N.am 1 UNL1 -0.6353 12 CA 3.5131 -0.6232 -0.4875 C.2 1 UNL1 0.3637 13 C 2.5929 -1.7603 -0.8878 C.2 1 UNL1 0.6314 14 O 2.7290 -2.7858 -1.4942 O.2 1 UNL1 -0.4529 15 N 1.2087 -1.5498 -0.3898 N.am 1 UNL1 -0.3007 16 CA 0.3008 -2.4101 -0.5415 C.2 1 UNL1 0.1894 17 C -1.0958 -2.2715 -0.0775 C.2 1 UNL1 0.0412 18 S -1.5792 -0.6334 0.4507 S.3 1 UNL1 0.4647 19 C -3.2121 -0.9176 0.5960 C.3 1 UNL1 0.0069 20 C -3.8272 -2.1663 0.5090 C.2 1 UNL1 -0.7431 21 C -3.1872 -3.4182 0.2726 C.2 1 UNL1 0.3441 22 N -1.8613 -3.3070 -0.1583 N.2 1 UNL1 -0.4889 23 C 0.5386 -3.7133 -1.2352 C.1 1 UNL1 0.5317 24 O 0.6687 -4.7120 -1.7415 O.2 1 UNL1 0.0893 25 C -2.4178 -2.2074 -3.4252 C.1 1 UNL1 0.6742 26 O -3.4722 -1.7634 -3.6357 O.2 1 UNL1 -0.2658 27 O -1.3534 -2.6337 -3.1766 O.2 1 UNL1 -0.4080 28 C -5.2130 -1.9466 0.7987 C.3 1 UNL1 0.7436 29 S -4.6681 0.0778 0.8631 S.3 1 UNL1 -0.5616 30 C -6.1585 1.0520 1.1418 C.ar 1 UNL1 0.2509 31 N -7.4163 1.3985 1.1454 N.ar 1 UNL1 -0.2715 32 N -7.4771 2.7138 1.6289 N.ar 1 UNL1 0.0437 33 N -6.3569 3.2075 1.9306 N.ar 1 UNL1 0.0270 34 N -5.3963 2.2195 1.6623 N.ar 1 UNL1 -0.5509 35 C -4.0799 1.9286 1.6860 C.3 1 UNL1 0.7691 36 C 4.1971 -0.9035 0.6859 C.3 1 UNL1 -0.2890 37 C 5.1394 -0.1510 1.4445 C.2 1 UNL1 0.1074 38 C 5.7310 -0.3996 2.5124 C.2 1 UNL1 -0.2987 39 C 5.6877 -1.5552 3.3972 C.2 1 UNL1 0.5810 40 O 6.2261 -1.8293 4.4307 O.2 1 UNL1 -0.4367 41 C 4.7174 -2.3052 2.5751 C.2 1 UNL1 -0.1965 42 C 4.1158 -2.0706 1.5085 C.2 1 UNL1 -0.0993 @BOND 1 26 25 2 2 25 27 2 3 1 2 2 4 24 23 2 5 2 8 1 6 2 3 1 7 10 9 2 8 14 13 2 9 11 9 1 10 11 12 2 11 9 6 1 12 23 16 2 13 8 7 1 14 3 4 1 15 7 6 2 16 6 4 1 17 13 12 1 18 13 15 am 19 16 15 1 20 16 17 1 21 4 5 2 22 12 36 1 23 22 17 2 24 22 21 1 25 17 18 1 26 21 20 2 27 18 19 1 28 20 19 1 29 20 28 1 30 19 29 1 31 36 37 1 32 36 42 1 33 28 29 1 34 29 30 1 35 29 35 1 36 30 31 ar 37 30 34 ar 38 31 32 ar 39 37 38 2 40 42 41 2 41 32 33 ar 42 34 35 1 43 34 33 ar 44 38 39 1 45 41 39 1 46 39 40 2