@MOLECULE (6r,7r)-7-({[2-(aminomethyl)phenyl]acetyl}amino)-8-oxo-3-{[(6-oxo-1,6-dihydro-3-pyridazinyl)sulfanyl]methyl}-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid 54 57 0 0 0 SMALL GASTEIGER @ATOM 1 S -0.2570 -1.7669 -1.9424 S.3 1 UNL111111111 -0.0084 2 S 3.4405 0.5973 -0.6803 S.3 1 UNL111111111 0.1113 3 O -1.4237 -0.5606 2.3201 O.2 1 UNL111111111 -0.3693 4 O 1.9346 -1.9005 2.9201 O.3 1 UNL111111111 -0.5243 5 O -4.9115 -2.1285 -0.0622 O.2 1 UNL111111111 -0.5142 6 OXT 1.7250 0.2601 2.3678 O.2 1 UNL111111111 -0.4418 7 O 9.0425 1.6645 -0.0514 O.2 1 UNL111111111 -0.4723 8 N -0.1499 -1.8742 0.7941 N.am 1 UNL111111111 -0.4974 9 N -3.0050 -0.9856 -0.4946 N.am 1 UNL111111111 -0.5989 10 N 6.0154 0.3498 -1.1680 N.ar 1 UNL111111111 -0.1166 11 N -3.5278 2.4150 -1.7496 N.3 1 UNL111111111 -0.6507 12 N 7.3139 0.6034 -1.0121 N.ar 1 UNL111111111 -0.3586 13 C -0.8723 -2.4567 -0.3655 C.3 1 UNL111111111 -0.0453 14 CA -2.2194 -1.9043 0.2570 C.3 1 UNL111111111 0.0203 15 C -1.3061 -1.2405 1.3595 C.2 1 UNL111111111 0.5361 16 CA 1.1766 -1.4685 0.7595 C.2 1 UNL111111111 0.0976 17 C 1.9909 -1.5900 -0.3136 C.2 1 UNL111111111 -0.0717 18 C 1.5247 -2.1134 -1.6283 C.3 1 UNL111111111 -0.3132 19 C 3.4197 -1.1970 -0.2431 C.3 1 UNL111111111 -0.3313 20 C -4.3871 -1.1704 -0.5823 C.2 1 UNL111111111 0.6187 21 C 1.6267 -0.8957 2.0656 C.2 1 UNL111111111 0.6196 22 C -5.1159 -0.1309 -1.3953 C.3 1 UNL111111111 -0.3805 23 C -5.8477 0.8279 -0.5071 C.ar 1 UNL111111111 0.0184 24 C -5.3016 2.0399 -0.0699 C.ar 1 UNL111111111 -0.0387 25 C -7.1598 0.4940 -0.1526 C.ar 1 UNL111111111 -0.1558 26 C 5.1458 0.9990 -0.4196 C.ar 1 UNL111111111 -0.0888 27 C -3.8610 2.4165 -0.3018 C.3 1 UNL111111111 -0.1172 28 C -6.1082 2.9371 0.6381 C.ar 1 UNL111111111 -0.1646 29 C -7.9540 1.3907 0.5523 C.ar 1 UNL111111111 -0.1421 30 C -7.4355 2.6297 0.9234 C.ar 1 UNL111111111 -0.1459 31 C 5.5232 2.0035 0.5382 C.ar 1 UNL111111111 -0.0573 32 C 6.8411 2.2770 0.6879 C.ar 1 UNL111111111 -0.2799 33 C 7.8386 1.5582 -0.0918 C.ar 1 UNL111111111 0.5283 34 H -0.8186 -3.5626 -0.3774 H 1 UNL111111111 0.1746 35 HA -2.8456 -2.7314 0.6864 H 1 UNL111111111 0.2098 36 H 1.7087 -3.2066 -1.7002 H 1 UNL111111111 0.1752 37 H 2.0833 -1.6535 -2.4745 H 1 UNL111111111 0.1893 38 H -2.5665 -0.1716 -0.9169 H 1 UNL111111111 0.3390 39 H 3.8663 -1.3561 0.7588 H 1 UNL111111111 0.1767 40 H 4.0589 -1.7733 -0.9432 H 1 UNL111111111 0.1813 41 H -5.8316 -0.6602 -2.0674 H 1 UNL111111111 0.1818 42 H -4.4309 0.4068 -2.0969 H 1 UNL111111111 0.2114 43 H 2.1442 -1.5849 3.8387 H 1 UNL111111111 0.3546 44 H -7.5632 -0.4780 -0.4396 H 1 UNL111111111 0.1632 45 H -3.6310 3.3947 0.1806 H 1 UNL111111111 0.1273 46 H -3.1913 1.6723 0.1985 H 1 UNL111111111 0.1596 47 H -5.7016 3.8894 0.9754 H 1 UNL111111111 0.1517 48 H -8.9777 1.1262 0.8102 H 1 UNL111111111 0.1535 49 H -8.0687 3.3540 1.4327 H 1 UNL111111111 0.1524 50 H 4.7492 2.5193 1.1158 H 1 UNL111111111 0.1883 51 H -4.2654 2.8401 -2.2933 H 1 UNL111111111 0.2525 52 H -2.6705 2.9160 -1.9311 H 1 UNL111111111 0.2531 53 H 7.2271 3.0207 1.3854 H 1 UNL111111111 0.1955 54 H 7.9323 0.0562 -1.6149 H 1 UNL111111111 0.3435 @BOND 1 1 13 1 2 1 18 1 3 2 19 1 4 2 26 1 5 3 15 2 6 4 21 1 7 4 43 1 8 5 20 2 9 6 21 2 10 7 33 2 11 8 13 1 12 8 15 am 13 8 16 1 14 9 14 1 15 9 20 am 16 9 38 1 17 10 12 ar 18 10 26 ar 19 11 27 1 20 11 51 1 21 11 52 1 22 12 33 ar 23 12 54 1 24 13 14 1 25 13 34 1 26 14 15 1 27 14 35 1 28 16 17 2 29 16 21 1 30 17 18 1 31 17 19 1 32 18 36 1 33 18 37 1 34 19 39 1 35 19 40 1 36 20 22 1 37 22 23 1 38 22 41 1 39 22 42 1 40 23 24 ar 41 23 25 ar 42 24 27 1 43 24 28 ar 44 25 29 ar 45 25 44 1 46 26 31 ar 47 27 45 1 48 27 46 1 49 28 30 ar 50 28 47 1 51 29 30 ar 52 29 48 1 53 30 49 1 54 31 32 ar 55 31 50 1 56 32 33 ar 57 32 53 1