@MOLECULE 7-{[(z)-n-(1-amino-2-phenylethylidene)glycyl]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-carboxylic acid 56 59 0 0 0 SMALL GASTEIGER @ATOM 1 S -0.3699 -1.7414 -2.3461 S.3 1 UNL11 -0.0071 2 S -4.7765 -0.2684 -1.5012 S.3 1 UNL11 0.1585 3 S -7.3764 -0.2603 0.1653 S.2 1 UNL11 0.1645 4 O -0.2909 -1.4851 2.2397 O.2 1 UNL11 -0.3494 5 O -2.3184 1.9047 1.0697 O.3 1 UNL11 -0.5310 6 OXT -3.0385 -0.1049 1.7543 O.2 1 UNL11 -0.4379 7 O 3.0724 -3.9031 -0.1400 O.2 1 UNL11 -0.5391 8 N -0.3686 -0.4495 0.0898 N.am 1 UNL11 -0.4880 9 N 2.4521 -1.8205 0.4970 N.am 1 UNL11 -0.5635 10 N 4.9710 -1.1182 1.0371 N.2 1 UNL11 -0.5572 11 N -5.6820 1.6869 0.1639 N.ar 1 UNL11 -0.2223 12 N 7.3681 -1.1221 1.2157 N.pl3 1 UNL11 -0.6704 13 N -6.6643 2.0876 0.9868 N.ar 1 UNL11 -0.1877 14 C 0.5425 -1.0033 -0.9469 C.3 1 UNL11 -0.0471 15 CA 1.0879 -2.0252 0.1278 C.3 1 UNL11 0.0118 16 C 0.0414 -1.3753 1.1125 C.2 1 UNL11 0.5386 17 CA -1.6160 0.0868 -0.2014 C.2 1 UNL11 0.1018 18 C -2.1252 0.2209 -1.4490 C.2 1 UNL11 -0.0710 19 C -1.4605 -0.3018 -2.6747 C.3 1 UNL11 -0.3156 20 C -3.4026 0.9403 -1.6866 C.3 1 UNL11 -0.3447 21 C -2.3930 0.5558 0.9913 C.2 1 UNL11 0.6204 22 C 3.3876 -2.8181 0.3018 C.2 1 UNL11 0.5983 23 C 4.8433 -2.5107 0.6626 C.3 1 UNL11 -0.1710 24 C -5.8627 0.4918 -0.3787 C.ar 1 UNL11 -0.0986 25 C 6.1028 -0.5316 1.2478 C.2 1 UNL11 0.4217 26 C 6.0759 0.9321 1.6391 C.3 1 UNL11 -0.3121 27 C 6.6002 1.7691 0.5133 C.ar 1 UNL11 -0.0045 28 C -7.6553 1.2250 1.1280 C.ar 1 UNL11 0.0420 29 C 7.7577 2.5296 0.6760 C.ar 1 UNL11 -0.1805 30 C 5.9200 1.7829 -0.7074 C.ar 1 UNL11 -0.1629 31 C -8.8470 1.4421 1.9573 C.3 1 UNL11 -0.4381 32 C 8.2371 3.2981 -0.3834 C.ar 1 UNL11 -0.1349 33 C 6.4040 2.5486 -1.7636 C.ar 1 UNL11 -0.1375 34 C 7.5636 3.3065 -1.6030 C.ar 1 UNL11 -0.1526 35 H 1.2808 -0.2546 -1.2932 H 1 UNL11 0.1766 36 HA 0.8629 -3.1004 -0.0800 H 1 UNL11 0.2112 37 H -0.8772 0.5039 -3.1687 H 1 UNL11 0.1712 38 H -2.2017 -0.6478 -3.4274 H 1 UNL11 0.1805 39 H 2.7417 -0.9140 0.8582 H 1 UNL11 0.3494 40 H -3.4581 1.3883 -2.6989 H 1 UNL11 0.1778 41 H -3.5306 1.8134 -0.9991 H 1 UNL11 0.2183 42 H 5.4711 -2.7951 -0.2150 H 1 UNL11 0.1557 43 H 5.1342 -3.1916 1.5014 H 1 UNL11 0.1720 44 H -2.9437 2.2915 1.7414 H 1 UNL11 0.3658 45 H 6.6434 1.0839 2.5817 H 1 UNL11 0.1727 46 H 5.0293 1.2393 1.8885 H 1 UNL11 0.1983 47 H 7.4895 -2.0075 0.7679 H 1 UNL11 0.2953 48 H 8.1760 -0.5314 1.1903 H 1 UNL11 0.3010 49 H 8.2850 2.5331 1.6275 H 1 UNL11 0.1528 50 H 5.0117 1.1916 -0.8279 H 1 UNL11 0.1671 51 H 9.1390 3.8949 -0.2556 H 1 UNL11 0.1513 52 H 5.8755 2.5572 -2.7156 H 1 UNL11 0.1534 53 H -9.7855 1.3466 1.3865 H 1 UNL11 0.1736 54 H -8.9000 0.7397 2.8076 H 1 UNL11 0.1795 55 H -8.8492 2.4611 2.3963 H 1 UNL11 0.1906 56 H 7.9399 3.9068 -2.4293 H 1 UNL11 0.1526 @BOND 1 1 14 1 2 1 19 1 3 2 20 1 4 2 24 1 5 3 24 ar 6 3 28 ar 7 4 16 2 8 5 21 1 9 5 44 1 10 6 21 2 11 7 22 2 12 8 14 1 13 8 16 am 14 8 17 1 15 9 15 1 16 9 22 am 17 9 39 1 18 10 23 1 19 10 25 2 20 11 13 ar 21 11 24 ar 22 12 25 1 23 12 47 1 24 12 48 1 25 13 28 ar 26 14 15 1 27 14 35 1 28 15 16 1 29 15 36 1 30 17 18 2 31 17 21 1 32 18 19 1 33 18 20 1 34 19 37 1 35 19 38 1 36 20 40 1 37 20 41 1 38 22 23 1 39 23 42 1 40 23 43 1 41 25 26 1 42 26 27 1 43 26 45 1 44 26 46 1 45 27 29 ar 46 27 30 ar 47 28 31 1 48 29 32 ar 49 29 49 1 50 30 33 ar 51 30 50 1 52 31 53 1 53 31 54 1 54 31 55 1 55 32 34 ar 56 32 51 1 57 33 34 ar 58 33 52 1 59 34 56 1