@MOLECULE (6s,7r)-3-(acetoxymethyl)-7-{[(2z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid 47 49 0 0 0 SMALL GASTEIGER @ATOM 1 S -1.2895 -2.6686 0.9559 S.3 1 UNL1111111111 0.0128 2 S 2.9796 3.4983 1.1017 S.2 1 UNL1111111111 0.1594 3 O -0.3244 -1.0312 -3.1494 O.2 1 UNL1111111111 -0.3840 4 O -4.7137 0.4119 1.3291 O.3 1 UNL1111111111 -0.4418 5 O -2.1690 1.3658 -2.3257 O.3 1 UNL1111111111 -0.5133 6 OXT -4.0202 0.1654 -2.6579 O.2 1 UNL1111111111 -0.4767 7 O 2.5860 -2.2301 1.0172 O.2 1 UNL1111111111 -0.4713 8 O 5.4251 -1.9876 0.6289 O.2 1 UNL1111111111 -0.0991 9 O -6.9226 0.7480 1.1015 O.2 1 UNL1111111111 -0.4957 10 N -1.1209 -0.7018 -0.9305 N.am 1 UNL1111111111 -0.4822 11 N 1.9815 -1.0607 -0.8297 N.am 1 UNL1111111111 -0.5829 12 N 5.1739 -0.6451 0.6416 N.2 1 UNL1111111111 -0.1338 13 N 3.1319 1.6346 -0.7427 N.ar 1 UNL1111111111 -0.5238 14 N 2.4944 3.7219 -1.6554 N.pl3 1 UNL1111111111 -0.5642 15 C -0.3398 -1.3184 0.1707 C.3 1 UNL1111111111 -0.0278 16 CA 0.7280 -1.7627 -0.9136 C.3 1 UNL1111111111 0.0215 17 C -0.2597 -1.1450 -1.9733 C.2 1 UNL1111111111 0.5588 18 CA -2.4904 -0.4671 -0.8955 C.2 1 UNL1111111111 0.0815 19 C -3.2944 -0.8994 0.1023 C.2 1 UNL1111111111 -0.0555 20 C -2.8360 -1.7263 1.2515 C.3 1 UNL1111111111 -0.3253 21 C -4.7327 -0.4880 0.2095 C.3 1 UNL1111111111 -0.0267 22 C -3.0018 0.3386 -2.0420 C.2 1 UNL1111111111 0.6272 23 C 2.7977 -1.3093 0.2619 C.2 1 UNL1111111111 0.5652 24 C 3.9338 -0.3387 0.4515 C.2 1 UNL1111111111 -0.0243 25 C 3.5555 1.0823 0.4714 C.ar 1 UNL1111111111 0.1831 26 C -5.8923 0.9973 1.6687 C.2 1 UNL1111111111 0.6277 27 C 3.5202 1.9036 1.5611 C.ar 1 UNL1111111111 -0.3655 28 C -5.6612 1.9308 2.8061 C.3 1 UNL1111111111 -0.5109 29 C 2.8172 2.9199 -0.6029 C.ar 1 UNL1111111111 0.2965 30 C 6.8445 -2.1853 0.7341 C.3 1 UNL1111111111 -0.2384 31 H 0.0227 -0.5756 0.9060 H 1 UNL1111111111 0.1779 32 HA 0.8748 -2.8603 -1.0142 H 1 UNL1111111111 0.1980 33 H -3.6018 -2.4856 1.5263 H 1 UNL1111111111 0.1842 34 H -2.7253 -1.0782 2.1511 H 1 UNL1111111111 0.1863 35 H 2.1088 -0.2128 -1.3852 H 1 UNL1111111111 0.3537 36 H -5.1405 0.0443 -0.6720 H 1 UNL1111111111 0.1711 37 H -5.4100 -1.3338 0.4362 H 1 UNL1111111111 0.1532 38 H -2.4581 1.8841 -3.1226 H 1 UNL1111111111 0.3535 39 H 3.7814 1.6544 2.5732 H 1 UNL1111111111 0.2009 40 H -6.0132 1.4860 3.7503 H 1 UNL1111111111 0.1846 41 H -6.2197 2.8687 2.6571 H 1 UNL1111111111 0.1858 42 H -4.5974 2.1854 2.9362 H 1 UNL1111111111 0.1852 43 H 6.9012 -3.2471 1.0054 H 1 UNL1111111111 0.1514 44 H 7.2948 -1.5601 1.5104 H 1 UNL1111111111 0.1530 45 H 7.3163 -1.9932 -0.2337 H 1 UNL1111111111 0.1426 46 H 1.9780 4.5660 -1.5149 H 1 UNL1111111111 0.3091 47 H 2.3994 3.2960 -2.5655 H 1 UNL1111111111 0.3192 @BOND 1 1 15 1 2 1 20 1 3 2 27 ar 4 2 29 ar 5 3 17 2 6 4 21 1 7 4 26 1 8 5 22 1 9 5 38 1 10 6 22 2 11 7 23 2 12 8 12 1 13 8 30 1 14 9 26 2 15 10 15 1 16 10 17 am 17 10 18 1 18 11 16 1 19 11 23 am 20 11 35 1 21 12 24 2 22 13 25 ar 23 13 29 ar 24 14 29 1 25 14 46 1 26 14 47 1 27 15 16 1 28 15 31 1 29 16 17 1 30 16 32 1 31 18 19 2 32 18 22 1 33 19 20 1 34 19 21 1 35 20 33 1 36 20 34 1 37 21 36 1 38 21 37 1 39 23 24 1 40 24 25 1 41 25 27 ar 42 26 28 1 43 27 39 1 44 28 40 1 45 28 41 1 46 28 42 1 47 30 43 1 48 30 44 1 49 30 45 1