@MOLECULE (6s,7r)-7-{[(2z)-2-(2-amino-1,3-thiazol-4-yl)-2-{[(2-carboxy-2-propanyl)oxy]imino}acetyl]amino}-8-oxo-3-(1-pyridiniumylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate 59 62 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 S -1.7707 1.3218 -2.6350 S.3 1 UNL1 -0.0106 2 S 7.5086 0.5584 -0.2997 S.2 1 UNL1 0.1436 3 O -0.2571 2.6030 1.5983 O.2 1 UNL1 -0.3119 4 OXT -4.2419 1.8106 2.1686 O.co2 1 UNL1 -0.7588 5 O -3.0714 3.6094 1.5123 O.co2 1 UNL1 -0.5661 6 O 2.9687 1.5122 -1.5061 O.2 1 UNL1 -0.4618 7 O 2.1192 -2.0546 -0.3327 O.2 1 UNL1 -0.2154 8 O -0.2948 -4.4302 0.4140 O.3 1 UNL1 -0.5431 9 O -0.3997 -2.2073 0.2547 O.2 1 UNL1 -0.5095 10 N -1.6676 1.3792 0.0949 N.am 1 UNL1 -0.4705 11 N 1.3670 0.5121 -0.2402 N.am 1 UNL1 -0.5624 12 N -5.7848 0.0489 -0.0772 N.pl3 1 UNL1 -0.0953 13 N 3.4257 -1.6910 -0.0812 N.2 1 UNL1 -0.1447 14 N 5.1796 1.1006 0.7969 N.ar 1 UNL1 -0.4686 15 N 6.9156 2.4366 1.6984 N.pl3 1 UNL1 -0.5730 16 C -0.9933 0.7663 -1.0813 C.3 1 UNL1 -0.0603 17 CA 0.3486 1.4468 -0.6285 C.3 1 UNL1 0.0086 18 C -0.4751 2.0053 0.6083 C.2 1 UNL1 0.5572 19 CA -2.9950 1.6715 0.1598 C.2 1 UNL1 0.1799 20 C -3.8770 1.3245 -0.8231 C.2 1 UNL1 -0.3453 21 C -3.4859 0.8303 -2.1708 C.3 1 UNL1 -0.2821 22 C -5.3339 1.4028 -0.5660 C.3 1 UNL1 -0.0653 23 C -3.4665 2.4655 1.4453 C.2 1 UNL1 0.7113 24 C 2.6444 0.6214 -0.7569 C.2 1 UNL1 0.5813 25 C 3.6324 -0.4351 -0.3002 C.2 1 UNL1 0.0348 26 C -6.5022 -0.7715 -0.9027 C.2 1 UNL1 -0.0001 27 C -5.3905 -0.3725 1.1460 C.2 1 UNL1 0.0405 28 C 5.0030 0.0660 -0.1226 C.ar 1 UNL1 0.1832 29 C -6.8496 -2.0499 -0.4897 C.2 1 UNL1 -0.2090 30 C -5.7258 -1.6527 1.5973 C.2 1 UNL1 -0.1982 31 C -6.4569 -2.4998 0.7784 C.3 1 UNL1 -0.0573 32 C 1.7987 -3.3118 0.3107 C.3 1 UNL1 0.2374 33 C 6.1139 -0.3611 -0.7957 C.ar 1 UNL1 -0.3699 34 C 2.2597 -3.3736 1.7552 C.3 1 UNL1 -0.4834 35 C 2.2979 -4.4469 -0.5587 C.3 1 UNL1 -0.4777 36 C 0.2676 -3.2060 0.3085 C.2 1 UNL1 0.6004 37 C 6.4500 1.4915 0.8328 C.ar 1 UNL1 0.2897 38 H -0.9850 -0.3434 -1.0245 H 1 UNL1 0.1808 39 HA 0.7347 2.2614 -1.2837 H 1 UNL1 0.2106 40 H -4.1413 1.2539 -2.9585 H 1 UNL1 0.1584 41 H -3.5702 -0.2708 -2.2371 H 1 UNL1 0.1413 42 H 1.0605 -0.3249 0.2468 H 1 UNL1 0.3385 43 H -5.9217 1.6805 -1.4663 H 1 UNL1 0.1478 44 H -5.5910 2.1540 0.2323 H 1 UNL1 0.2068 45 H -6.7862 -0.3864 -1.8897 H 1 UNL1 0.1863 46 H -4.7622 0.3915 1.7926 H 1 UNL1 0.3408 47 H -7.4229 -2.6991 -1.1517 H 1 UNL1 0.1775 48 H -5.3989 -1.9612 2.5939 H 1 UNL1 0.1928 49 H -6.7273 -3.5042 1.1094 H 1 UNL1 0.1669 50 H 6.1675 -1.1356 -1.5373 H 1 UNL1 0.1971 51 H 1.9565 -5.4244 -0.1934 H 1 UNL1 0.1677 52 H 1.9596 -4.3447 -1.5987 H 1 UNL1 0.1656 53 H 3.3988 -4.4616 -0.5842 H 1 UNL1 0.1787 54 H 1.8691 -4.2608 2.2695 H 1 UNL1 0.1648 55 H 1.9514 -2.4848 2.3254 H 1 UNL1 0.1760 56 H 3.3597 -3.4162 1.8176 H 1 UNL1 0.1874 57 H 7.7880 2.8946 1.5323 H 1 UNL1 0.3083 58 H 6.2392 2.9507 2.2440 H 1 UNL1 0.3218 59 H -1.2857 -4.4049 0.4509 H 1 UNL1 0.3567 @BOND 1 40 21 1 2 1 21 1 3 1 16 1 4 41 21 1 5 21 20 1 6 45 26 1 7 52 35 1 8 50 33 1 9 6 24 2 10 43 22 1 11 39 17 1 12 47 29 1 13 16 38 1 14 16 17 1 15 16 10 1 16 26 29 2 17 26 12 1 18 20 22 1 19 20 19 2 20 33 2 ar 21 33 28 ar 22 24 25 1 23 24 11 am 24 17 11 1 25 17 18 1 26 53 35 1 27 22 12 1 28 22 44 1 29 35 51 1 30 35 32 1 31 29 31 1 32 7 13 1 33 7 32 1 34 25 28 1 35 25 13 2 36 2 37 ar 37 11 42 1 38 28 14 ar 39 12 27 1 40 10 19 1 41 10 18 am 42 19 23 1 43 9 36 2 44 36 32 1 45 36 8 1 46 32 34 1 47 8 59 1 48 18 3 2 49 31 49 1 50 31 30 1 51 14 37 ar 52 37 15 1 53 27 30 2 54 27 46 1 55 23 5 ar 56 23 4 ar 57 57 15 1 58 30 48 1 59 15 58 1 60 34 56 1 61 34 54 1 62 34 55 1