@MOLECULE (6r,7r)-7-{[(3e)-3-[(carboxymethoxy)imino]-3-(1,3-thiazol-4-yl)-1-propen-2-yl]amino}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid 41 43 0 0 0 SMALL GASTEIGER @ATOM 1 SD -2.5778 1.8345 -1.6103 S.3 1 MET111111111 -0.0127 2 S 3.0847 -3.6703 0.7963 S.2 0 UNK0 0.2145 3 O -0.8919 -1.8937 0.4782 O.2 1 MET1 -0.3891 4 O -3.2727 -1.8337 2.1311 O.3 1 MET1 -0.4970 5 OXT -4.9241 -2.2968 0.6998 O.2 1 MET1 -0.4908 6 O 2.7713 2.1422 -0.4485 O.2 0 UNK0 -0.0957 7 O 2.3251 4.2172 2.4232 O.3 0 UNK0 -0.5744 8 O 0.9077 2.7479 1.5278 O.2 0 UNK0 -0.4955 9 N -2.2754 0.0474 0.4799 N.am 1 MET1 -0.4798 10 N 0.1521 0.4571 -1.6313 N.pl3 1 MET1 -0.5055 11 N 3.0197 0.8542 0.0009 N.2 0 UNK0 -0.2301 12 N 2.0273 -2.4160 -1.2016 N.ar 0 UNK0 -0.3300 13 CE -1.6982 1.2883 -0.0988 C.3 1 MET1 -0.0132 14 CA -0.3295 0.5168 -0.2869 C.3 1 MET1 -0.0174 15 C -1.1046 -0.7498 0.2643 C.2 1 MET1 0.5338 16 CA -3.6163 -0.3011 0.3798 C.2 1 MET1 0.0938 17 CG -4.2928 1.7132 -0.9525 C.3 1 MET1 -0.3089 18 CB -4.5553 0.4395 -0.2454 C.2 1 MET1 -0.1998 19 C 1.5221 0.2361 -1.8787 C.2 0 UNK0 0.2052 20 C -4.0217 -1.5752 1.0395 C.2 1 MET1 0.6198 21 C 2.4066 -0.0418 -0.7087 C.2 0 UNK0 0.1096 22 C 2.0251 0.3013 -3.1197 C.2 0 UNK0 -0.4066 23 C 2.5759 -1.4495 -0.3444 C.ar 0 UNK0 0.0760 24 C 3.1912 -1.9456 0.7792 C.ar 0 UNK0 -0.2906 25 C 2.2009 -3.6278 -0.7479 C.ar 0 UNK0 -0.0400 26 C 3.1511 3.0550 0.5748 C.3 0 UNK0 -0.1584 27 C 1.9895 3.2669 1.5112 C.2 0 UNK0 0.6305 28 HE -1.6393 2.1060 0.6490 H 1 MET1 0.1835 29 HA 0.4387 0.8772 0.4374 H 1 MET1 0.2041 30 H -0.4779 0.0420 -2.3169 H 1 MET1 0.3183 31 HG1 -4.9688 1.8357 -1.8259 H 1 MET1 0.1768 32 HG2 -4.4940 2.5776 -0.2838 H 1 MET1 0.1731 33 HB -5.5991 0.1102 -0.2482 H 1 MET1 0.1816 34 H 1.4299 0.4860 -3.9982 H 0 UNK0 0.1685 35 H 3.0690 0.1634 -3.3396 H 0 UNK0 0.1624 36 H -3.4943 -2.7049 2.5550 H 1 MET1 0.3509 37 H 3.6694 -1.3685 1.5547 H 0 UNK0 0.2019 38 H 1.8407 -4.5172 -1.2503 H 0 UNK0 0.1970 39 H 3.3925 3.9779 0.0063 H 0 UNK0 0.1813 40 H 4.0588 2.7297 1.1249 H 0 UNK0 0.1917 41 H 1.6132 4.4097 3.0816 H 0 UNK0 0.3613 @BOND 1 1 13 1 2 1 17 1 3 2 24 ar 4 2 25 ar 5 3 15 2 6 4 20 1 7 4 36 1 8 5 20 2 9 6 11 1 10 6 26 1 11 7 27 1 12 7 41 1 13 8 27 2 14 9 13 1 15 9 15 am 16 9 16 1 17 10 14 1 18 10 19 1 19 10 30 1 20 11 21 2 21 12 23 ar 22 12 25 ar 23 13 14 1 24 13 28 1 25 14 15 1 26 14 29 1 27 16 18 2 28 16 20 1 29 17 18 1 30 17 31 1 31 17 32 1 32 18 33 1 33 19 21 1 34 19 22 2 35 21 23 1 36 22 34 1 37 22 35 1 38 23 24 ar 39 24 37 1 40 25 38 1 41 26 27 1 42 26 39 1 43 26 40 1