@MOLECULE (6r,7r)-7-{[(2z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-8-oxo-3-[({1-[2-(sulfoamino)ethyl]-1h-tetrazol-5-yl}sulfanyl)methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid 59 62 0 0 0 SMALL GASTEIGER @ATOM 1 S 1.8182 3.0821 -0.4232 S.3 1 UNL11 0.0173 2 S -2.5745 1.4775 -1.7250 S.3 1 UNL11 0.1345 3 S 4.3582 -3.8548 -1.6744 S.2 1 UNL11 0.1715 4 S -4.4653 -2.2409 1.5150 S.O2 1 UNL11 2.6143 5 O 1.0410 -0.5156 2.3933 O.2 1 UNL11 -0.3526 6 O -2.6514 1.1176 1.8528 O.3 1 UNL11 -0.5279 7 OXT -1.3689 -0.5005 0.9782 O.2 1 UNL11 -0.5889 8 O 5.3996 0.7346 1.9341 O.2 1 UNL11 -0.4737 9 O 7.1500 1.2010 -0.1966 O.2 1 UNL11 -0.0892 10 O -2.9099 -2.6622 1.3245 O.3 1 UNL11 -0.8565 11 O -5.2217 -3.2597 2.1745 O.2 1 UNL11 -0.8510 12 O -4.4185 -0.8791 2.0227 O.2 1 UNL11 -0.9681 13 N 0.5971 1.7028 1.6399 N.am 1 UNL11 -0.4943 14 N 3.5019 0.7965 0.6835 N.am 1 UNL11 -0.5640 15 N -5.1118 0.2622 -1.9209 N.ar 1 UNL11 -0.1744 16 N 6.6272 0.0631 -0.7389 N.2 1 UNL11 -0.1535 17 N -5.1715 2.3906 -1.3606 N.ar 1 UNL11 -0.2697 18 N -6.4170 0.6478 -1.7686 N.ar 1 UNL11 -0.0908 19 N 3.4871 -1.6620 -0.5423 N.ar 1 UNL11 -0.5358 20 N -4.9734 -2.2194 -0.1230 N.3 1 UNL11 -0.8934 21 N -6.4204 1.9000 -1.4332 N.ar 1 UNL11 -0.0123 22 N 1.7155 -3.1693 -0.9804 N.pl3 1 UNL11 -0.5645 23 C 1.7804 2.5514 1.3257 C.3 1 UNL11 -0.0340 24 CA 2.7172 1.3493 1.7418 C.3 1 UNL11 0.0200 25 C 1.3820 0.5434 2.0018 C.2 1 UNL11 0.5320 26 CA -0.5944 1.7646 0.9365 C.2 1 UNL11 0.0990 27 C -0.8980 2.7075 0.0107 C.2 1 UNL11 -0.0776 28 C 0.0899 3.7048 -0.4829 C.3 1 UNL11 -0.3201 29 C -2.2703 2.8526 -0.5366 C.3 1 UNL11 -0.3282 30 C -1.5552 0.6643 1.2692 C.2 1 UNL11 0.6852 31 C 4.8216 0.4323 0.9191 C.2 1 UNL11 0.5845 32 C 5.4965 -0.2988 -0.2184 C.2 1 UNL11 -0.0186 33 C -4.3154 1.3766 -1.6644 C.ar 1 UNL11 0.0391 34 C 4.8703 -1.5256 -0.7217 C.ar 1 UNL11 0.1782 35 C -4.7732 -1.0967 -2.3207 C.3 1 UNL11 -0.0997 36 C -4.0446 -1.8863 -1.1994 C.3 1 UNL11 -0.0537 37 C 5.4983 -2.5862 -1.3147 C.ar 1 UNL11 -0.3520 38 C 3.0432 -2.8347 -0.9783 C.ar 1 UNL11 0.2926 39 C 8.3954 1.4860 -0.8543 C.3 1 UNL11 -0.2397 40 H 1.8452 3.4227 2.0075 H 1 UNL11 0.1756 41 HA 3.3104 1.5434 2.6674 H 1 UNL11 0.2067 42 H 0.0095 4.6507 0.0942 H 1 UNL11 0.1765 43 H -0.1008 3.9783 -1.5457 H 1 UNL11 0.1822 44 H 2.9969 0.3425 -0.0863 H 1 UNL11 0.3528 45 H -2.4309 3.8235 -1.0480 H 1 UNL11 0.1900 46 H -3.0396 2.8444 0.2782 H 1 UNL11 0.2148 47 H -3.3848 0.4012 1.9979 H 1 UNL11 0.4281 48 H -4.1328 -1.0597 -3.2343 H 1 UNL11 0.1597 49 H -5.7161 -1.6278 -2.6102 H 1 UNL11 0.1821 50 H -3.6055 -2.8084 -1.6576 H 1 UNL11 0.1414 51 H -3.1805 -1.2944 -0.8134 H 1 UNL11 0.1719 52 H 6.5478 -2.6658 -1.5436 H 1 UNL11 0.2051 53 H -5.7550 -2.8015 -0.3982 H 1 UNL11 0.3226 54 H 9.0947 0.6494 -0.7619 H 1 UNL11 0.1499 55 H 8.7470 2.3563 -0.2870 H 1 UNL11 0.1523 56 H 8.2328 1.7349 -1.9068 H 1 UNL11 0.1446 57 H 1.0845 -2.5399 -0.4960 H 1 UNL11 0.3202 58 H 1.4516 -4.1359 -0.9317 H 1 UNL11 0.3048 59 H -2.2387 -1.9203 1.3327 H 1 UNL11 0.4347 @BOND 1 1 23 1 2 1 28 1 3 2 29 1 4 2 33 1 5 3 37 ar 6 3 38 ar 7 4 10 1 8 4 11 2 9 4 12 2 10 4 20 1 11 5 25 2 12 6 30 1 13 6 47 1 14 7 30 2 15 8 31 2 16 9 16 1 17 9 39 1 18 10 59 1 19 13 23 1 20 13 25 am 21 13 26 1 22 14 24 1 23 14 31 am 24 14 44 1 25 15 18 ar 26 15 33 ar 27 15 35 1 28 16 32 2 29 17 21 ar 30 17 33 ar 31 18 21 ar 32 19 34 ar 33 19 38 ar 34 20 36 1 35 20 53 1 36 22 38 1 37 22 57 1 38 22 58 1 39 23 24 1 40 23 40 1 41 24 25 1 42 24 41 1 43 26 27 2 44 26 30 1 45 27 28 1 46 27 29 1 47 28 42 1 48 28 43 1 49 29 45 1 50 29 46 1 51 31 32 1 52 32 34 1 53 34 37 ar 54 35 36 1 55 35 48 1 56 35 49 1 57 36 50 1 58 36 51 1 59 37 52 1 60 39 54 1 61 39 55 1 62 39 56 1