@MOLECULE (2s,5r,6r)-6-({(6s)-6-[(ammonioacetyl)amino]-6-carboxylatohexanoyl}amino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate 29 24 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 S 4.8694 0.8825 -1.9382 S.3 1 UNL1 0.2979 2 O 1.2891 -1.3994 1.1846 O.2 1 UNL1 -0.4547 3 O 6.3034 -4.1995 1.5635 O.2 2 UNL2 -0.3053 4 O 7.1834 -2.1912 0.7525 O.2 2 UNL2 -0.3843 5 O 1.0617 3.4056 2.0035 O.3 2 UNL2 -0.2025 6 O -8.2446 -0.6899 2.6296 O.2 3 UNL3 -0.3152 7 O -6.4174 0.6366 2.0293 O.2 3 UNL3 -0.3459 8 O -8.1029 0.0247 -1.1924 O.2 2 UNL2 -0.3702 9 N 4.2907 -1.0201 -0.2356 N.1 1 UNL1 -0.4435 10 N 1.9609 1.4962 0.2103 N.1 1 UNL1 -0.3369 11 N -6.0448 -0.9183 -0.8391 N.am 2 UNL2 -0.3736 12 N -7.1515 -1.6765 -4.0008 N.1 2 UNL2 -0.1419 13 C 3.9314 0.1830 -0.7774 C.3 1 UNL1 -0.1722 14 C 7.4171 1.9131 -1.2241 C.1 1 UNL1 -0.7089 15 C 4.5969 -2.0544 0.2364 C.1 1 UNL1 0.2590 16 C 2.8547 0.9000 -0.2270 C.1 1 UNL1 0.2053 17 C 0.1584 -1.2826 1.2717 C.2 1 UNL1 0.4544 18 C 8.6142 2.3425 -0.9244 C.3 1 UNL1 0.5900 19 C 6.2589 1.4781 -1.4849 C.1 1 UNL1 0.3186 20 C 6.7112 -3.1881 1.1495 C.1 2 UNL2 0.6855 21 C 0.1803 2.7933 1.5775 C.1 2 UNL2 0.6369 22 C -0.8727 2.1593 1.1559 C.1 2 UNL2 -0.5060 23 C -1.8879 1.5413 0.7282 C.1 2 UNL2 0.3649 24 C -2.9420 0.9273 0.3040 C.1 2 UNL2 -0.1881 25 C -3.9873 0.3374 -0.1099 C.1 2 UNL2 0.0276 26 C -5.0605 -0.2452 -0.5183 C.1 2 UNL2 0.1531 27 C -7.3355 -0.0275 2.3184 C.1 3 UNL3 0.6612 28 C -7.1596 -0.5825 -1.6289 C.2 2 UNL2 0.5815 29 C -7.1487 -1.2015 -2.9492 C.1 2 UNL2 0.0131 @BOND 1 12 29 3 2 29 28 1 3 1 19 1 4 1 13 1 5 28 8 2 6 28 11 am 7 19 14 3 8 14 18 1 9 11 26 1 10 13 9 1 11 13 16 1 12 26 25 3 13 9 15 3 14 16 10 3 15 25 24 1 16 24 23 3 17 23 22 1 18 4 20 2 19 20 3 2 20 22 21 3 21 2 17 2 22 21 5 1 23 7 27 2 24 27 6 2