@MOLECULE 4-({[(6s,7s)-7-{[(2e)-2-(2-amino-1,3-thiazol-4-yl)-2-{[(2-carboxy-2-propanyl)oxy]imino}acetyl]amino}-2-carboxy-5-oxido-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]methyl}sulfanyl)-1-methylpyridinium 40 41 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 S 0.3171 -0.0421 -0.6336 S.3 1 UNL1 1.2512 2 S -5.3276 0.3677 -0.3344 S.3 1 UNL1 0.7019 3 S 1.3723 -2.2706 -2.3741 S.3 1 UNL1 1.1547 4 O 2.3195 4.2125 0.0552 O.2 1 UNL1 -0.3212 5 O 0.3808 -0.9942 -2.0260 O.3 1 UNL1 -0.8682 6 O -2.9632 5.4388 -0.9820 O.2 1 UNL1 -0.3214 7 O -2.5983 3.5643 0.3648 O.2 1 UNL1 -0.3566 8 O 4.0525 -0.3030 -2.4914 O.2 1 UNL1 -0.4094 9 O 4.7854 -1.4253 1.9287 O.2 1 UNL1 0.0335 10 O 2.2545 1.7294 2.8795 O.2 1 UNL1 -0.3890 11 O 3.4204 2.6703 1.2339 O.3 1 UNL1 -0.5128 12 N 0.0320 2.5226 -1.2279 N.1 1 UNL1 -0.4238 13 N 3.3467 1.2468 -0.9609 N.am 1 UNL1 -0.5298 14 N 4.1493 -0.5336 1.0042 N.4 1 UNL1 0.2718 15 N 4.0157 -3.2815 0.2414 N.2 1 UNL1 -0.4512 16 N -8.3628 -1.9837 2.8373 N.1 1 UNL1 -0.4925 17 N 3.5103 -5.7357 0.1894 N.1 1 UNL1 -0.3129 18 C 0.8744 1.5013 -0.8717 C.3 1 UNL1 -0.4360 19 C 2.2598 1.8374 -0.6559 C.3 1 UNL1 0.2759 20 C 2.5741 3.0657 0.1956 C.2 1 UNL1 0.6228 21 C -0.6919 3.4078 -1.4978 C.1 1 UNL1 0.2179 22 C -1.3313 0.0884 -0.5744 C.1 1 UNL1 -0.4575 23 C -2.5504 0.1759 -0.5036 C.1 1 UNL1 0.2522 24 C -3.8844 0.2793 -0.4224 C.3 1 UNL1 -0.4407 25 C -2.7516 4.4952 -0.3279 C.1 1 UNL1 0.6743 26 C 3.7273 -0.0210 -1.3693 C.2 1 UNL1 0.6408 27 C 3.8169 -0.9521 -0.2070 C.3 1 UNL1 -0.3561 28 C -6.2225 -1.2094 -0.3530 C.3 1 UNL1 0.1360 29 C 3.4716 -2.3491 -0.4945 C.2 1 UNL1 0.4576 30 C -6.1457 -1.9847 -1.4079 C.1 1 UNL1 -0.6500 31 C -6.9780 -1.4524 0.7895 C.1 1 UNL1 -0.2034 32 C 4.6537 -0.3797 2.9267 C.2 1 UNL1 -0.4564 33 C 2.4642 -2.4549 -1.4724 C.3 1 UNL1 -0.6630 34 C -6.0760 -2.7698 -2.4268 C.1 1 UNL1 0.3941 35 C -7.6482 -1.7102 1.7767 C.1 1 UNL1 0.2167 36 C 3.6925 -4.5872 0.1498 C.1 1 UNL1 0.2668 37 C 3.9511 0.4274 1.9233 C.3 1 UNL1 -0.1228 38 C 5.0859 -0.3599 4.1801 C.2 1 UNL1 0.5111 39 C 3.1161 1.6162 2.0529 C.2 1 UNL1 0.6562 40 C -9.0198 -2.2550 3.7990 C.1 1 UNL1 0.4393 @BOND 1 8 26 2 2 34 30 3 3 3 5 1 4 3 33 1 5 5 1 1 6 21 12 3 7 33 29 1 8 30 28 1 9 26 13 am 10 26 27 1 11 12 18 1 12 6 25 2 13 13 19 1 14 18 19 1 15 18 1 1 16 19 20 1 17 1 22 1 18 22 23 3 19 23 24 1 20 29 27 1 21 29 15 2 22 24 2 1 23 28 2 1 24 28 31 1 25 25 7 2 26 27 14 1 27 4 20 2 28 36 17 3 29 36 15 1 30 20 11 1 31 31 35 3 32 14 37 1 33 14 9 1 34 11 39 1 35 35 16 1 36 37 39 1 37 37 32 1 38 9 32 1 39 39 10 2 40 16 40 3 41 32 38 2