@MOLECULE (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl 7-{[(alanyloxy)(phenyl)acetyl]amino}-3-{[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate 71 75 0 0 0 SMALL GASTEIGER @ATOM 1 S -1.1250 -0.9448 2.2436 S.3 1 UNL111111111111 -0.0182 2 S 3.6464 -0.9803 1.3695 S.3 1 UNL111111111111 0.1379 3 S 6.7479 -1.2441 1.3381 S.2 1 UNL111111111111 0.1485 4 O -0.7971 2.7571 -0.2953 O.2 1 UNL111111111111 -0.3760 5 O 1.9443 1.7385 -0.6585 O.3 1 UNL111111111111 -0.3855 6 O -5.7524 -0.6877 -0.9655 O.3 1 UNL111111111111 -0.4166 7 O 1.7482 0.1853 -2.2901 O.2 1 UNL111111111111 -0.4352 8 O -5.0155 0.7889 1.7483 O.2 1 UNL111111111111 -0.4717 9 O 5.2600 1.9414 -1.5897 O.2 1 UNL111111111111 -0.2732 10 O -4.4659 0.1126 -2.6305 O.2 1 UNL111111111111 -0.5083 11 O 5.9914 2.1289 0.5443 O.2 1 UNL111111111111 -0.3249 12 O 7.4586 1.4950 -1.0973 O.2 1 UNL111111111111 -0.4005 13 N -0.6697 0.3808 -0.1040 N.am 1 UNL111111111111 -0.4858 14 N -3.6738 1.2092 -0.0343 N.am 1 UNL111111111111 -0.5876 15 N 5.2022 -2.0604 -0.5591 N.ar 1 UNL111111111111 -0.1988 16 N -3.8585 -2.7041 -0.9633 N.3 1 UNL111111111111 -0.6461 17 N 6.4424 -2.3364 -0.9889 N.ar 1 UNL111111111111 -0.1869 18 C -1.7537 -0.2854 0.6613 C.3 1 UNL111111111111 -0.0487 19 C -2.4794 1.1162 0.7597 C.3 1 UNL111111111111 0.0076 20 C -1.2020 1.6980 0.0420 C.2 1 UNL111111111111 0.5521 21 C 0.6284 -0.1075 -0.1710 C.2 1 UNL111111111111 0.0894 22 C 1.0821 -1.1731 0.5285 C.2 1 UNL111111111111 -0.0569 23 C 0.2865 -1.8971 1.5591 C.3 1 UNL111111111111 -0.3135 24 C 2.4151 -1.7605 0.2478 C.3 1 UNL111111111111 -0.3449 25 C 1.4891 0.5792 -1.1877 C.2 1 UNL111111111111 0.5856 26 C -4.8916 0.8891 0.5532 C.2 1 UNL111111111111 0.5444 27 C -6.0170 0.6311 -0.4684 C.3 1 UNL111111111111 0.0357 28 C -7.3601 0.5232 0.1793 C.ar 1 UNL111111111111 -0.0566 29 C 2.8919 2.4863 -1.4297 C.3 1 UNL111111111111 -0.0053 30 C -8.4108 1.3246 -0.2701 C.ar 1 UNL111111111111 -0.1336 31 C -7.5651 -0.3938 1.2118 C.ar 1 UNL111111111111 -0.0952 32 C 5.1413 -1.4773 0.6289 C.ar 1 UNL111111111111 -0.1230 33 C -4.8905 -0.8226 -2.0059 C.2 1 UNL111111111111 0.5952 34 C 4.1945 2.3345 -0.7663 C.ar 1 UNL111111111111 -0.0274 35 C -4.5631 -2.3002 -2.1946 C.3 1 UNL111111111111 0.0214 36 C -9.6672 1.2094 0.3192 C.ar 1 UNL111111111111 -0.1558 37 C -8.8259 -0.5094 1.7941 C.ar 1 UNL111111111111 -0.1577 38 C -9.8757 0.2921 1.3479 C.ar 1 UNL111111111111 -0.1262 39 C 4.6311 2.4451 0.5079 C.ar 1 UNL111111111111 0.1772 40 C -5.8468 -3.0746 -2.4902 C.3 1 UNL111111111111 -0.4947 41 C 7.4094 -1.9816 -0.1615 C.ar 1 UNL111111111111 0.0691 42 C 4.0342 2.7981 1.7924 C.3 1 UNL111111111111 -0.4347 43 C 6.3627 1.8152 -0.7624 C.ar 1 UNL111111111111 0.6478 44 C 8.8449 -2.1250 -0.4287 C.3 1 UNL111111111111 -0.4384 45 H -2.2831 -1.0601 0.0629 H 1 UNL111111111111 0.2046 46 H -2.6329 1.5119 1.7889 H 1 UNL111111111111 0.2035 47 H -0.0904 -2.8548 1.1426 H 1 UNL111111111111 0.1764 48 H 0.9167 -2.1701 2.4345 H 1 UNL111111111111 0.1859 49 H -3.5659 1.2008 -1.0480 H 1 UNL111111111111 0.3422 50 H 2.7297 -1.6293 -0.8191 H 1 UNL111111111111 0.2177 51 H 2.4313 -2.8608 0.3915 H 1 UNL111111111111 0.1839 52 H -5.9976 1.3721 -1.3034 H 1 UNL111111111111 0.1738 53 H 2.9133 2.1625 -2.4949 H 1 UNL111111111111 0.1848 54 H 2.4919 3.5226 -1.3709 H 1 UNL111111111111 0.1669 55 H -8.2547 2.0390 -1.0768 H 1 UNL111111111111 0.1533 56 H -6.7353 -1.0044 1.5707 H 1 UNL111111111111 0.1664 57 H -3.8407 -2.3904 -3.0559 H 1 UNL111111111111 0.1813 58 H -10.4878 1.8357 -0.0246 H 1 UNL111111111111 0.1512 59 H -8.9865 -1.2214 2.6009 H 1 UNL111111111111 0.1532 60 H -10.8592 0.2033 1.8064 H 1 UNL111111111111 0.1487 61 H -5.6470 -4.1416 -2.6409 H 1 UNL111111111111 0.1588 62 H -6.3402 -2.7092 -3.4006 H 1 UNL111111111111 0.1664 63 H -6.5791 -2.9863 -1.6751 H 1 UNL111111111111 0.1702 64 H -3.4583 -3.6253 -1.0435 H 1 UNL111111111111 0.2642 65 H -4.4631 -2.6701 -0.1524 H 1 UNL111111111111 0.2670 66 H 4.4675 2.2141 2.6244 H 1 UNL111111111111 0.1825 67 H 2.9439 2.6108 1.7973 H 1 UNL111111111111 0.1880 68 H 4.1871 3.8625 2.0398 H 1 UNL111111111111 0.1719 69 H 9.3254 -1.1414 -0.6007 H 1 UNL111111111111 0.1906 70 H 9.3921 -2.6246 0.3856 H 1 UNL111111111111 0.1711 71 H 9.0262 -2.7167 -1.3485 H 1 UNL111111111111 0.1915 @BOND 1 1 18 1 2 1 23 1 3 2 24 1 4 2 32 1 5 3 32 ar 6 3 41 ar 7 4 20 2 8 5 25 1 9 5 29 1 10 6 27 1 11 6 33 1 12 7 25 2 13 8 26 2 14 9 34 ar 15 9 43 ar 16 10 33 2 17 11 39 ar 18 11 43 ar 19 12 43 2 20 13 18 1 21 13 20 am 22 13 21 1 23 14 19 1 24 14 26 am 25 14 49 1 26 15 17 ar 27 15 32 ar 28 16 35 1 29 16 64 1 30 16 65 1 31 17 41 ar 32 18 19 1 33 18 45 1 34 19 20 1 35 19 46 1 36 21 22 2 37 21 25 1 38 22 23 1 39 22 24 1 40 23 47 1 41 23 48 1 42 24 50 1 43 24 51 1 44 26 27 1 45 27 28 1 46 27 52 1 47 28 30 ar 48 28 31 ar 49 29 34 1 50 29 53 1 51 29 54 1 52 30 36 ar 53 30 55 1 54 31 37 ar 55 31 56 1 56 33 35 1 57 34 39 ar 58 35 40 1 59 35 57 1 60 36 38 ar 61 36 58 1 62 37 38 ar 63 37 59 1 64 38 60 1 65 39 42 1 66 40 61 1 67 40 62 1 68 40 63 1 69 41 44 1 70 42 66 1 71 42 67 1 72 42 68 1 73 44 69 1 74 44 70 1 75 44 71 1