@MOLECULE (6r,7r)-7-((r)-mandelamido)-3-(((5-methyl-1,3,4-thiadiazol-2-yl)thio)methyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid 49 52 0 0 0 SMALL GASTEIGER @ATOM 1 S -0.8747 -0.1047 1.6547 S.3 1 UNL1111111111 0.0073 2 S 2.4223 1.7992 -0.8619 S.3 1 UNL1111111111 0.1783 3 S 4.3639 -0.5857 -1.2192 S.2 1 UNL1111111111 0.1537 4 O -3.4406 2.7722 -1.0878 O.2 1 UNL1111111111 -0.3393 5 O -0.2024 4.9004 -0.2116 O.3 1 UNL1111111111 -0.5360 6 O -4.5072 -1.7947 0.6845 O.2 1 UNL1111111111 -0.5048 7 OXT -0.7859 3.5102 -1.8632 O.2 1 UNL1111111111 -0.4500 8 O -3.8339 -3.9562 -0.7561 O.3 1 UNL1111111111 -0.5137 9 N -1.9566 2.3026 0.7253 N.am 1 UNL1111111111 -0.4814 10 N -3.1224 -0.3776 -0.4297 N.am 1 UNL1111111111 -0.5755 11 N 3.3634 0.1148 1.0526 N.ar 1 UNL1111111111 -0.2276 12 N 4.1228 -0.9575 1.3292 N.ar 1 UNL1111111111 -0.1844 13 C -2.2651 1.0661 1.5091 C.3 1 UNL1111111111 -0.0546 14 CA -3.3989 0.7176 0.4590 C.3 1 UNL1111111111 0.0002 15 C -3.0254 2.0836 -0.2243 C.2 1 UNL1111111111 0.5297 16 CA -0.6533 2.6878 0.4074 C.2 1 UNL1111111111 0.0632 17 C 0.4635 2.1977 0.9958 C.2 1 UNL1111111111 -0.0327 18 C 0.4093 1.1454 2.0419 C.3 1 UNL1111111111 -0.3271 19 C 1.8142 2.6888 0.6252 C.3 1 UNL1111111111 -0.3402 20 C -3.6642 -1.6267 -0.1680 C.2 1 UNL1111111111 0.5368 21 C -0.5842 3.6927 -0.6949 C.2 1 UNL1111111111 0.6212 22 C -3.1227 -2.7792 -1.0293 C.3 1 UNL1111111111 0.0638 23 C -1.6591 -2.9490 -0.7196 C.ar 1 UNL1111111111 -0.0660 24 C -0.7082 -2.3562 -1.5524 C.ar 1 UNL1111111111 -0.1637 25 C -1.2582 -3.6655 0.4061 C.ar 1 UNL1111111111 -0.1214 26 C 3.3386 0.4702 -0.2231 C.ar 1 UNL1111111111 -0.1049 27 C 0.6456 -2.4640 -1.2415 C.ar 1 UNL1111111111 -0.1354 28 C 0.0975 -3.7701 0.7137 C.ar 1 UNL1111111111 -0.1331 29 C 1.0483 -3.1650 -0.1057 C.ar 1 UNL1111111111 -0.1425 30 C 4.7340 -1.4885 0.2860 C.ar 1 UNL1111111111 0.0414 31 C 5.6054 -2.6688 0.3311 C.3 1 UNL1111111111 -0.4385 32 H -2.6600 1.3336 2.5110 H 1 UNL1111111111 0.1785 33 HA -4.4212 0.6615 0.8914 H 1 UNL1111111111 0.2011 34 H 0.2253 1.5912 3.0427 H 1 UNL1111111111 0.1838 35 H 1.3729 0.5876 2.1466 H 1 UNL1111111111 0.2160 36 H -2.3149 -0.2811 -1.0394 H 1 UNL1111111111 0.3280 37 H 1.8245 3.7759 0.3832 H 1 UNL1111111111 0.1969 38 H 2.5360 2.5806 1.4665 H 1 UNL1111111111 0.1982 39 H -3.3177 -2.6081 -2.1172 H 1 UNL1111111111 0.1735 40 H -0.1933 5.6123 -0.9021 H 1 UNL1111111111 0.3563 41 H -4.2605 -3.9155 0.1355 H 1 UNL1111111111 0.3380 42 H -1.0117 -1.8150 -2.4454 H 1 UNL1111111111 0.1504 43 H -2.0009 -4.1418 1.0449 H 1 UNL1111111111 0.1590 44 H 1.3863 -1.9989 -1.8881 H 1 UNL1111111111 0.1500 45 H 0.4128 -4.3187 1.5997 H 1 UNL1111111111 0.1537 46 H 2.1042 -3.2380 0.1456 H 1 UNL1111111111 0.1466 47 H 5.2243 -3.5014 -0.2852 H 1 UNL1111111111 0.1784 48 H 6.6328 -2.4502 -0.0076 H 1 UNL1111111111 0.1764 49 H 5.6972 -3.0615 1.3643 H 1 UNL1111111111 0.1922 @BOND 1 1 13 1 2 1 18 1 3 2 19 1 4 2 26 1 5 3 26 ar 6 3 30 ar 7 4 15 2 8 5 21 1 9 5 40 1 10 6 20 2 11 7 21 2 12 8 22 1 13 8 41 1 14 9 13 1 15 9 15 am 16 9 16 1 17 10 14 1 18 10 20 am 19 10 36 1 20 11 12 ar 21 11 26 ar 22 12 30 ar 23 13 14 1 24 13 32 1 25 14 15 1 26 14 33 1 27 16 17 2 28 16 21 1 29 17 18 1 30 17 19 1 31 18 34 1 32 18 35 1 33 19 37 1 34 19 38 1 35 20 22 1 36 22 23 1 37 22 39 1 38 23 24 ar 39 23 25 ar 40 24 27 ar 41 24 42 1 42 25 28 ar 43 25 43 1 44 27 29 ar 45 27 44 1 46 28 29 ar 47 28 45 1 48 29 46 1 49 30 31 1 50 31 47 1 51 31 48 1 52 31 49 1