@MOLECULE 7-{[(2-amino-1,3-thiazol-4-yl)acetyl]amino}-3-[({1-[2-(dimethylamino)ethyl]-1h-tetrazol-5-yl}sulfanyl)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylic acid 57 60 0 0 0 SMALL GASTEIGER @ATOM 1 S -1.1624 1.7156 1.7422 S.3 1 UNL1111111111 0.0689 2 S 3.4510 0.5411 1.0155 S.3 1 UNL1111111111 0.1479 3 S -7.8587 0.3270 0.3042 S.2 1 UNL1111111111 0.1560 4 O 0.1665 -1.8104 -0.9259 O.2 1 UNL1111111111 -0.4115 5 O 1.2614 3.0272 -2.3479 O.3 1 UNL1111111111 -0.5609 6 OXT -0.9081 2.9990 -1.8147 O.2 1 UNL1111111111 -0.4786 7 O -3.2770 -2.7482 1.7447 O.2 1 UNL1111111111 -0.5084 8 N -0.5033 0.4511 -0.6780 N.am 1 UNL1111111111 -0.5424 9 N -2.9822 -1.3680 -0.0323 N.am 1 UNL1111111111 -0.5829 10 N 6.1290 -0.1534 0.5945 N.ar 1 UNL1111111111 -0.1851 11 N 5.7919 2.0220 0.6986 N.ar 1 UNL1111111111 -0.2695 12 N -5.5454 -0.3534 -0.7273 N.ar 1 UNL1111111111 -0.5557 13 N 4.8962 -3.3667 -0.7385 N.3 1 UNL1111111111 -0.3881 14 N 7.3255 0.4897 0.4450 N.ar 1 UNL1111111111 -0.0919 15 N 7.0966 1.7658 0.5075 N.ar 1 UNL1111111111 -0.0205 16 N -6.2366 1.7794 -1.4721 N.pl3 1 UNL1111111111 -0.5653 17 C -1.6110 0.7454 0.2561 C.3 1 UNL1111111111 -0.0427 18 CA -1.7690 -0.8189 0.4844 C.3 1 UNL1111111111 0.0061 19 CA 0.6373 1.3093 -0.8799 C.3 1 UNL1111111111 0.0338 20 C -0.5257 -0.9607 -0.4762 C.2 1 UNL1111111111 0.5645 21 C 1.2466 1.8359 0.4003 C.2 1 UNL1111111111 -0.0743 22 C 0.5356 2.0391 1.5185 C.2 1 UNL1111111111 -0.2067 23 C 0.1825 2.5164 -1.7063 C.2 1 UNL1111111111 0.6175 24 C 2.7064 2.0924 0.3567 C.3 1 UNL1111111111 -0.3244 25 C -3.7256 -2.2591 0.7333 C.2 1 UNL1111111111 0.6083 26 C -5.0978 -2.6064 0.1768 C.3 1 UNL1111111111 -0.3629 27 C 5.1486 0.8239 0.7564 C.ar 1 UNL1111111111 0.0304 28 C -5.9801 -1.4113 0.0806 C.ar 1 UNL1111111111 0.2133 29 C 6.0058 -1.6039 0.4972 C.3 1 UNL1111111111 -0.0826 30 C 5.4541 -2.0054 -0.8994 C.3 1 UNL1111111111 -0.1415 31 C -7.1802 -1.2293 0.7072 C.ar 1 UNL1111111111 -0.4177 32 C -6.4139 0.6568 -0.7235 C.ar 1 UNL1111111111 0.2978 33 C 5.1694 -4.2000 -1.9277 C.3 1 UNL1111111111 -0.2754 34 C 3.4454 -3.3197 -0.4561 C.3 1 UNL1111111111 -0.2781 35 H -2.4653 1.2379 -0.2534 H 1 UNL1111111111 0.1842 36 HA -1.5351 -1.1864 1.5130 H 1 UNL1111111111 0.2085 37 HA 1.4030 0.7250 -1.4817 H 1 UNL1111111111 0.2099 38 H -3.4361 -0.8741 -0.8045 H 1 UNL1111111111 0.3492 39 H 0.9979 2.4409 2.4294 H 1 UNL1111111111 0.1925 40 H 3.0211 2.9632 0.9719 H 1 UNL1111111111 0.1946 41 H 3.0809 2.3233 -0.6647 H 1 UNL1111111111 0.1977 42 H -4.9847 -3.0830 -0.8268 H 1 UNL1111111111 0.1992 43 H -5.5545 -3.3881 0.8279 H 1 UNL1111111111 0.1942 44 H 1.0636 3.8229 -2.9036 H 1 UNL1111111111 0.3624 45 H 7.0038 -2.0788 0.6621 H 1 UNL1111111111 0.1836 46 H 5.3438 -1.9841 1.3111 H 1 UNL1111111111 0.1780 47 H 6.2846 -1.9947 -1.6356 H 1 UNL1111111111 0.1498 48 H 4.7120 -1.2660 -1.2652 H 1 UNL1111111111 0.1399 49 H -7.6794 -1.9084 1.3725 H 1 UNL1111111111 0.1975 50 H 4.7253 -3.8235 -2.8609 H 1 UNL1111111111 0.1221 51 H 4.7814 -5.2168 -1.7466 H 1 UNL1111111111 0.1471 52 H 6.2600 -4.2918 -2.0639 H 1 UNL1111111111 0.1465 53 H 3.2700 -2.7578 0.4753 H 1 UNL1111111111 0.1479 54 H 3.0786 -4.3451 -0.2849 H 1 UNL1111111111 0.1471 55 H 2.8337 -2.8669 -1.2521 H 1 UNL1111111111 0.1364 56 H -6.7635 2.6094 -1.2881 H 1 UNL1111111111 0.3131 57 H -5.3446 1.9101 -1.9260 H 1 UNL1111111111 0.3214 @BOND 1 1 17 1 2 1 22 1 3 2 24 1 4 2 27 1 5 3 31 ar 6 3 32 ar 7 4 20 2 8 5 23 1 9 5 44 1 10 6 23 2 11 7 25 2 12 8 17 1 13 8 19 1 14 8 20 am 15 9 18 1 16 9 25 am 17 9 38 1 18 10 14 ar 19 10 27 ar 20 10 29 1 21 11 15 ar 22 11 27 ar 23 12 28 ar 24 12 32 ar 25 13 30 1 26 13 33 1 27 13 34 1 28 14 15 ar 29 16 32 1 30 16 56 1 31 16 57 1 32 17 18 1 33 17 35 1 34 18 20 1 35 18 36 1 36 19 21 1 37 19 23 1 38 19 37 1 39 21 22 2 40 21 24 1 41 22 39 1 42 24 40 1 43 24 41 1 44 25 26 1 45 26 28 1 46 26 42 1 47 26 43 1 48 28 31 ar 49 29 30 1 50 29 45 1 51 29 46 1 52 30 47 1 53 30 48 1 54 31 49 1 55 33 50 1 56 33 51 1 57 33 52 1 58 34 53 1 59 34 54 1 60 34 55 1