@MOLECULE (2r)-2-[(1r)-1-{[(2z)-2-(2-amino-1,3-thiazol-4-yl)-2-{[(2-carboxy-2-propanyl)oxy]imino}acetyl]amino}-2-oxoethyl]-5-methylene-5,6-dihydro-2h-1,3-thiazine-4-carboxylic acid 50 51 0 0 0 SMALL GASTEIGER @ATOM 1 S -3.8636 -2.5144 -1.1071 S.3 1 UNL1111111111 -0.0526 2 C -5.4087 -1.6708 -0.5950 C.3 1 UNL1111111111 -0.3329 3 C -5.2198 -1.0222 0.7356 C.2 1 UNL1111111111 -0.0592 4 C -6.1061 -1.1764 1.7242 C.2 1 UNL1111111111 -0.2415 5 CA -3.9978 -0.2000 0.8557 C.2 1 UNL1111111111 0.1244 6 C -3.9707 0.8001 1.9854 C.2 1 UNL1111111111 0.6105 7 O -2.7554 0.8643 2.5555 O.3 1 UNL1111111111 -0.4657 8 OXT -4.9091 1.4588 2.3592 O.2 1 UNL1111111111 -0.4988 9 N -2.9626 -0.1887 0.1060 N.2 1 UNL1111111111 -0.3255 10 C -2.7153 -1.0456 -1.0167 C.3 1 UNL1111111111 -0.0293 11 CA -1.2478 -1.5611 -0.9432 C.3 1 UNL1111111111 -0.0174 12 C -0.8785 -2.3287 -2.2345 C.2 1 UNL1111111111 0.3121 13 O -0.3036 -1.7843 -3.1375 O.2 1 UNL1111111111 -0.3830 14 N -0.3367 -0.4278 -0.8289 N.am 1 UNL1111111111 -0.5484 15 C 0.8858 -0.6128 -0.2298 C.2 1 UNL1111111111 0.5752 16 O 1.2424 -1.7135 0.1434 O.2 1 UNL1111111111 -0.5064 17 C 1.8152 0.5753 -0.1608 C.2 1 UNL1111111111 0.0001 18 N 3.0817 0.4929 0.1179 N.2 1 UNL1111111111 -0.1725 19 O 3.5515 -0.7574 0.3640 O.2 1 UNL1111111111 -0.0556 20 C 4.9877 -0.6693 0.6012 C.3 1 UNL1111111111 0.1848 21 C 1.3624 1.9500 -0.4252 C.ar 1 UNL1111111111 0.1955 22 C 2.1554 2.9941 -0.8210 C.ar 1 UNL1111111111 -0.3701 23 S 1.2142 4.4473 -1.0231 S.2 1 UNL1111111111 0.1342 24 C -0.2530 3.5217 -0.5386 C.ar 1 UNL1111111111 0.3022 25 N -1.5245 4.0009 -0.5059 N.pl3 1 UNL1111111111 -0.5760 26 N 0.0090 2.2471 -0.2672 N.ar 1 UNL1111111111 -0.5251 27 C 5.7163 -0.2700 -0.6718 C.3 1 UNL1111111111 -0.4729 28 C 5.3014 0.2187 1.7932 C.3 1 UNL1111111111 -0.4710 29 C 5.3206 -2.1206 0.9423 C.2 1 UNL1111111111 0.5863 30 O 6.6461 -2.1916 1.2577 O.3 1 UNL1111111111 -0.5747 31 O 4.6310 -3.0984 0.9591 O.2 1 UNL1111111111 -0.4433 32 H -5.7102 -0.9276 -1.3624 H 1 UNL1111111111 0.1756 33 H -6.2181 -2.4314 -0.5822 H 1 UNL1111111111 0.1802 34 H -6.9933 -1.7864 1.6397 H 1 UNL1111111111 0.1570 35 H -6.0273 -0.7015 2.6951 H 1 UNL1111111111 0.1707 36 H -2.7057 1.5248 3.2991 H 1 UNL1111111111 0.3471 37 H -2.8446 -0.4219 -1.9465 H 1 UNL1111111111 0.1852 38 HA -1.1065 -2.2493 -0.0581 H 1 UNL1111111111 0.1963 39 H -1.1337 -3.3932 -2.2612 H 1 UNL1111111111 0.1227 40 H -0.7290 0.5007 -0.9659 H 1 UNL1111111111 0.3536 41 H 3.2181 2.9644 -0.9969 H 1 UNL1111111111 0.2036 42 H -1.7342 4.9661 -0.6206 H 1 UNL1111111111 0.3131 43 H -2.2349 3.4051 -0.1105 H 1 UNL1111111111 0.3264 44 H 6.8030 -0.3903 -0.5702 H 1 UNL1111111111 0.1660 45 H 5.3857 -0.8694 -1.5324 H 1 UNL1111111111 0.1678 46 H 5.5221 0.7829 -0.9200 H 1 UNL1111111111 0.1709 47 H 5.1125 1.2776 1.5663 H 1 UNL1111111111 0.1730 48 H 4.6783 -0.0360 2.6608 H 1 UNL1111111111 0.1658 49 H 6.3539 0.1260 2.0969 H 1 UNL1111111111 0.1672 50 H 6.9480 -3.0999 1.4939 H 1 UNL1111111111 0.3543 @BOND 1 1 2 1 2 1 10 1 3 2 3 1 4 2 32 1 5 2 33 1 6 3 4 2 7 3 5 1 8 4 34 1 9 4 35 1 10 5 6 1 11 5 9 2 12 6 7 1 13 6 8 2 14 7 36 1 15 9 10 1 16 10 11 1 17 10 37 1 18 11 12 1 19 11 14 1 20 11 38 1 21 12 13 2 22 12 39 1 23 14 15 am 24 14 40 1 25 15 16 2 26 15 17 1 27 17 18 2 28 17 21 1 29 18 19 1 30 19 20 1 31 20 27 1 32 20 28 1 33 20 29 1 34 21 22 ar 35 21 26 ar 36 22 23 ar 37 22 41 1 38 23 24 ar 39 24 25 1 40 24 26 ar 41 25 42 1 42 25 43 1 43 27 44 1 44 27 45 1 45 27 46 1 46 28 47 1 47 28 48 1 48 28 49 1 49 29 30 1 50 29 31 2 51 30 50 1