@MOLECULE [(2,2-dimethylpropanoyl)oxy]methyl (4r,5s,6s)-6-[(1r)-1-hydroxyethyl]-4-methyl-7-oxo-3-{[(3r)-5-oxo-3-pyrrolidinyl]sulfanyl}-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate 58 60 0 0 0 SMALL GASTEIGER @ATOM 1 S -2.9114 0.9049 -1.2923 S.3 1 UNL1111111111 0.0352 2 O 2.7488 1.2687 -1.6077 O.2 1 UNL1111111111 -0.3700 3 O 2.9040 2.4967 1.9577 O.3 1 UNL1111111111 -0.5574 4 O -0.3695 -1.7784 -0.3750 O.3 1 UNL1111111111 -0.4403 5 O 0.0766 -1.1508 -2.5063 O.2 1 UNL1111111111 -0.4162 6 O -4.7500 -2.4929 1.9787 O.2 1 UNL1111111111 -0.5132 7 O 1.5237 -3.0227 -0.6348 O.3 1 UNL1111111111 -0.4637 8 O 1.6623 -2.7462 1.5877 O.2 1 UNL1111111111 -0.4826 9 N 0.8862 1.0144 -0.1176 N.am 1 UNL1111111111 -0.4885 10 N -5.7220 -0.9033 0.6657 N.am 1 UNL1111111111 -0.6266 11 C 0.4559 2.3214 0.5606 C.3 1 UNL1111111111 0.0256 12 C 1.6926 3.0156 -0.0903 C.3 1 UNL1111111111 -0.3071 13 C -0.9956 2.5822 0.0699 C.3 1 UNL1111111111 -0.1012 14 C 1.9670 1.6847 -0.8232 C.2 1 UNL1111111111 0.5551 15 C -1.3349 1.2864 -0.6514 C.2 1 UNL1111111111 -0.1781 16 C -0.2566 0.4802 -0.7622 C.2 1 UNL1111111111 0.1026 17 C 2.7973 3.4174 0.8886 C.3 1 UNL1111111111 0.1884 18 C -1.1407 3.7936 -0.8397 C.3 1 UNL1111111111 -0.4508 19 C 2.4892 4.7535 1.5573 C.3 1 UNL1111111111 -0.4716 20 C -0.1454 -0.8724 -1.3645 C.2 1 UNL1111111111 0.6096 21 C -3.8607 0.5381 0.2469 C.3 1 UNL1111111111 -0.1581 22 C -5.3444 0.2727 -0.1302 C.3 1 UNL1111111111 -0.0638 23 C -3.3828 -0.7213 0.9794 C.3 1 UNL1111111111 -0.3702 24 C -4.6425 -1.5070 1.2916 C.2 1 UNL1111111111 0.6027 25 C 0.1236 -3.0952 -0.5732 C.3 1 UNL1111111111 0.2218 26 C 3.6486 -2.3526 0.2176 C.3 1 UNL1111111111 0.0623 27 C 2.1996 -2.7041 0.5165 C.2 1 UNL1111111111 0.5924 28 C 3.9591 -1.0741 1.0071 C.3 1 UNL1111111111 -0.4536 29 C 3.8812 -2.1195 -1.2738 C.3 1 UNL1111111111 -0.4532 30 C 4.4966 -3.5248 0.7250 C.3 1 UNL1111111111 -0.4574 31 H 0.5145 2.2430 1.6634 H 1 UNL1111111111 0.1821 32 H 1.4556 3.8393 -0.7839 H 1 UNL1111111111 0.1858 33 H -1.6544 2.7136 0.9630 H 1 UNL1111111111 0.1577 34 H 3.7877 3.4334 0.3723 H 1 UNL1111111111 0.1338 35 H -0.6225 3.6577 -1.7971 H 1 UNL1111111111 0.1573 36 H -2.1956 3.9886 -1.0820 H 1 UNL1111111111 0.1645 37 H -0.7503 4.7018 -0.3667 H 1 UNL1111111111 0.1491 38 H 2.5316 5.5857 0.8494 H 1 UNL1111111111 0.1497 39 H 3.2160 4.9524 2.3597 H 1 UNL1111111111 0.1718 40 H 1.5005 4.7479 2.0321 H 1 UNL1111111111 0.1588 41 H -3.7919 1.4212 0.9179 H 1 UNL1111111111 0.1547 42 H 2.7934 1.5711 1.6542 H 1 UNL1111111111 0.3272 43 H -5.4939 0.0619 -1.2135 H 1 UNL1111111111 0.1512 44 H -5.9878 1.1401 0.1274 H 1 UNL1111111111 0.1401 45 H -2.8277 -0.4918 1.9097 H 1 UNL1111111111 0.1850 46 H -2.6864 -1.3564 0.3898 H 1 UNL1111111111 0.2031 47 H -6.6599 -1.2406 0.6895 H 1 UNL1111111111 0.3252 48 H -0.2496 -3.6269 0.3227 H 1 UNL1111111111 0.1619 49 H -0.1670 -3.5054 -1.5561 H 1 UNL1111111111 0.1522 50 H 3.7288 -1.1931 2.0748 H 1 UNL1111111111 0.1646 51 H 3.3724 -0.2270 0.6327 H 1 UNL1111111111 0.1459 52 H 5.0181 -0.8059 0.9218 H 1 UNL1111111111 0.1567 53 H 4.9327 -1.8963 -1.4836 H 1 UNL1111111111 0.1503 54 H 3.2879 -1.2731 -1.6510 H 1 UNL1111111111 0.1698 55 H 3.6013 -2.9938 -1.8752 H 1 UNL1111111111 0.1606 56 H 5.5662 -3.3082 0.6217 H 1 UNL1111111111 0.1561 57 H 4.2939 -4.4438 0.1627 H 1 UNL1111111111 0.1528 58 H 4.3049 -3.7331 1.7859 H 1 UNL1111111111 0.1598 @BOND 1 1 15 1 2 1 21 1 3 2 14 2 4 3 17 1 5 3 42 1 6 4 20 1 7 4 25 1 8 5 20 2 9 6 24 2 10 7 25 1 11 7 27 1 12 8 27 2 13 9 11 1 14 9 14 am 15 9 16 1 16 10 22 1 17 10 24 am 18 10 47 1 19 11 12 1 20 11 13 1 21 11 31 1 22 12 14 1 23 12 17 1 24 12 32 1 25 13 15 1 26 13 18 1 27 13 33 1 28 15 16 2 29 16 20 1 30 17 19 1 31 17 34 1 32 18 35 1 33 18 36 1 34 18 37 1 35 19 38 1 36 19 39 1 37 19 40 1 38 21 22 1 39 21 23 1 40 21 41 1 41 22 43 1 42 22 44 1 43 23 24 1 44 23 45 1 45 23 46 1 46 25 48 1 47 25 49 1 48 26 27 1 49 26 28 1 50 26 29 1 51 26 30 1 52 28 50 1 53 28 51 1 54 28 52 1 55 29 53 1 56 29 54 1 57 29 55 1 58 30 56 1 59 30 57 1 60 30 58 1