@MOLECULE (6r,7r)-7-{[(2z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-3-(6,7-dihydro-5h-cyclopenta[b]pyridinium-1-ylmethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate 57 61 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 S 0.3964 -2.1335 -0.5647 S.3 1 UNL1 0.0188 2 S -5.0295 2.9212 -1.1969 S.2 1 UNL1 0.1197 3 O -1.1032 1.3131 2.3364 O.2 1 UNL1 -0.3172 4 O 0.3221 2.6284 0.0602 O.co2 1 UNL1 -0.6805 5 OXT 2.3683 2.6702 0.9651 O.co2 1 UNL1 -0.7262 6 O -3.9801 -1.7911 2.0405 O.2 1 UNL1 -0.4797 7 O -5.5599 -2.9513 -0.1068 O.2 1 UNL1 -0.1079 8 N 0.5324 -0.0947 1.2970 N.am 1 UNL1 -0.4809 9 N 4.5511 0.5338 -0.3343 N.pl3 1 UNL1 -0.1019 10 N -2.3149 -1.1939 0.6008 N.am 1 UNL1 -0.5575 11 N -5.5763 -1.6669 -0.5815 N.2 1 UNL1 -0.1584 12 N -3.3013 1.0440 -0.6014 N.ar 1 UNL1 -0.5640 13 N -2.2137 3.0725 -1.1242 N.pl3 1 UNL1 -0.5448 14 C 0.1446 -1.5293 1.1400 C.3 1 UNL1 -0.0435 15 CA -1.3094 -1.1684 1.6234 C.3 1 UNL1 0.0143 16 C -0.7493 0.3018 1.8506 C.2 1 UNL1 0.5397 17 C 2.2109 -0.0574 -0.4198 C.2 1 UNL1 -0.3339 18 CA 1.3858 0.5691 0.4682 C.2 1 UNL1 0.1766 19 C 2.1201 -1.5041 -0.7465 C.3 1 UNL1 -0.2929 20 C 3.2744 0.7102 -1.1110 C.3 1 UNL1 -0.0710 21 C 5.5415 -0.2804 -0.7718 C.2 1 UNL1 0.1284 22 C 5.5884 -1.0212 -2.0707 C.3 1 UNL1 -0.2851 23 C 6.6880 -0.5121 0.0106 C.2 1 UNL1 -0.0548 24 C 6.9485 -1.7646 -2.0420 C.3 1 UNL1 -0.2522 25 C 7.6230 -1.4446 -0.6824 C.3 1 UNL1 -0.2759 26 C 4.6673 1.1319 0.8873 C.2 1 UNL1 0.0305 27 C 1.3385 2.1432 0.5336 C.2 1 UNL1 0.7456 28 C 6.8229 0.0930 1.2509 C.3 1 UNL1 -0.0834 29 C -3.6501 -1.3393 0.9695 C.2 1 UNL1 0.5816 30 C 5.7915 0.9288 1.6825 C.2 1 UNL1 -0.1921 31 C -4.6503 -0.9141 -0.0839 C.2 1 UNL1 -0.0082 32 C -4.5809 0.4887 -0.5190 C.ar 1 UNL1 0.1883 33 C -5.6220 1.3249 -0.8079 C.ar 1 UNL1 -0.3680 34 C -3.3326 2.3348 -0.9304 C.ar 1 UNL1 0.3310 35 C -6.6243 -3.6789 -0.7367 C.3 1 UNL1 -0.2350 36 H 0.6898 -2.1730 1.8585 H 1 UNL1 0.1629 37 HA -1.6291 -1.6812 2.5563 H 1 UNL1 0.1979 38 H 2.4020 -1.7050 -1.7980 H 1 UNL1 0.1511 39 H 2.7952 -2.1072 -0.1112 H 1 UNL1 0.1430 40 H 3.0545 1.8137 -1.1549 H 1 UNL1 0.2067 41 H 3.4302 0.3834 -2.1607 H 1 UNL1 0.1504 42 H 4.7450 -1.7343 -2.1711 H 1 UNL1 0.1746 43 H 5.5233 -0.3412 -2.9434 H 1 UNL1 0.1737 44 H -2.1143 -0.6246 -0.2370 H 1 UNL1 0.3576 45 H 7.5886 -1.4418 -2.8803 H 1 UNL1 0.1515 46 H 6.8058 -2.8513 -2.1645 H 1 UNL1 0.1534 47 H 7.7926 -2.3659 -0.0917 H 1 UNL1 0.1659 48 H 8.6235 -0.9937 -0.8262 H 1 UNL1 0.1641 49 H 3.7950 1.8017 1.2224 H 1 UNL1 0.3127 50 H 7.7042 -0.0791 1.8699 H 1 UNL1 0.1744 51 H 5.8480 1.4314 2.6532 H 1 UNL1 0.1972 52 H -6.6679 1.0822 -0.8058 H 1 UNL1 0.1956 53 H -6.4959 -3.7068 -1.8225 H 1 UNL1 0.1438 54 H -6.5004 -4.6744 -0.2954 H 1 UNL1 0.1464 55 H -7.5974 -3.2507 -0.4779 H 1 UNL1 0.1459 56 H -2.2545 4.0740 -1.1035 H 1 UNL1 0.3062 57 H -1.3219 2.6878 -0.7794 H 1 UNL1 0.3655 @BOND 1 43 22 1 2 45 24 1 3 42 22 1 4 46 24 1 5 41 20 1 6 22 24 1 7 22 21 1 8 24 25 1 9 53 35 1 10 38 19 1 11 2 34 ar 12 2 33 ar 13 40 20 1 14 13 56 1 15 13 34 1 16 13 57 1 17 20 17 1 18 20 9 1 19 34 12 ar 20 48 25 1 21 33 52 1 22 33 32 ar 23 21 9 1 24 21 23 2 25 19 1 1 26 19 17 1 27 19 39 1 28 35 55 1 29 35 54 1 30 35 7 1 31 25 47 1 32 25 23 1 33 12 32 ar 34 11 7 1 35 11 31 2 36 1 14 1 37 32 31 1 38 17 18 2 39 9 26 1 40 44 10 1 41 31 29 1 42 23 28 1 43 4 27 ar 44 18 27 1 45 18 8 1 46 27 5 ar 47 10 29 am 48 10 15 1 49 26 49 1 50 26 30 2 51 29 6 2 52 14 8 1 53 14 15 1 54 14 36 1 55 28 30 1 56 28 50 1 57 8 16 am 58 15 16 1 59 15 37 1 60 30 51 1 61 16 3 2