@MOLECULE (2r)-2-[(1r)-1-{[(2z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-2-oxoethyl]-5-methylene-5,6-dihydro-2h-1,3-thiazine-4-carboxylic acid 41 42 0 0 0 SMALL GASTEIGER @ATOM 1 O 1.8031 2.9066 -2.6403 O.2 1 UNL111111111 -0.4211 2 C 1.1716 2.8705 -1.6195 C.2 1 UNL111111111 0.3457 3 CA 1.1742 1.6216 -0.7147 C.3 1 UNL111111111 -0.0594 4 C 2.1742 0.5687 -1.2517 C.3 1 UNL111111111 -0.0311 5 C 2.8404 -0.1412 1.4259 C.2 1 UNL111111111 -0.0570 6 C 2.2898 0.0450 2.6266 C.2 1 UNL111111111 -0.2353 7 C 4.0426 0.5942 0.9428 C.3 1 UNL111111111 -0.3371 8 CA 2.2694 -1.0793 0.4391 C.2 1 UNL111111111 0.1142 9 C 2.1054 -2.5141 0.8315 C.2 1 UNL111111111 0.6453 10 O 1.4756 -3.3873 0.2971 O.2 1 UNL111111111 -0.4939 11 OXT 2.8410 -2.7707 1.9393 O.3 1 UNL111111111 -0.5308 12 N 1.9530 -0.7725 -0.7674 N.2 1 UNL111111111 -0.3118 13 N -0.2076 1.1375 -0.7238 N.am 1 UNL111111111 -0.5724 14 C -1.0193 1.4693 0.3495 C.2 1 UNL111111111 0.5778 15 O -0.6392 2.2590 1.1908 O.2 1 UNL111111111 -0.5182 16 C -2.4299 0.9364 0.3477 C.2 1 UNL111111111 -0.0120 17 N -3.4535 1.6331 0.7399 N.2 1 UNL111111111 -0.1627 18 O -3.1642 2.9054 1.1292 O.2 1 UNL111111111 -0.0668 19 C -4.3912 3.5551 1.5016 C.3 1 UNL111111111 -0.2491 20 C -2.7009 -0.4376 -0.0881 C.ar 1 UNL111111111 0.1920 21 C -3.9276 -1.0152 -0.2763 C.ar 1 UNL111111111 -0.3716 22 S -3.7574 -2.6572 -0.8377 S.2 1 UNL111111111 0.1233 23 C -1.9579 -2.4566 -0.7894 C.ar 1 UNL111111111 0.3280 24 N -1.5955 -1.2405 -0.3773 N.ar 1 UNL111111111 -0.5635 25 N -1.0591 -3.4136 -1.0960 N.pl3 1 UNL111111111 -0.5625 26 S 3.9075 1.1189 -0.8184 S.3 1 UNL111111111 -0.0228 27 HA 1.4568 1.9404 0.3339 H 1 UNL111111111 0.1960 28 H 2.1278 0.5290 -2.3801 H 1 UNL111111111 0.2087 29 H 2.6593 0.7526 3.3555 H 1 UNL111111111 0.1585 30 H 1.4157 -0.4936 2.9732 H 1 UNL111111111 0.1663 31 H 4.2466 1.4961 1.5547 H 1 UNL111111111 0.1761 32 H 4.9458 -0.0492 1.0301 H 1 UNL111111111 0.1820 33 HXT 2.7767 -3.7146 2.2422 H 1 UNL111111111 0.3594 34 H -0.3977 0.2878 -1.2587 H 1 UNL111111111 0.3548 35 H -4.0330 4.5570 1.7669 H 1 UNL111111111 0.1507 36 H -5.0933 3.5937 0.6642 H 1 UNL111111111 0.1458 37 H -4.8503 3.0609 2.3630 H 1 UNL111111111 0.1480 38 H -4.8868 -0.5551 -0.1169 H 1 UNL111111111 0.2030 39 H -1.3078 -4.2698 -1.5360 H 1 UNL111111111 0.3151 40 H -0.0737 -3.2282 -0.9271 H 1 UNL111111111 0.3552 41 H 0.5467 3.7021 -1.2783 H 1 UNL111111111 0.1329 @BOND 1 1 2 2 2 2 3 1 3 2 41 1 4 3 4 1 5 3 13 1 6 3 27 1 7 4 12 1 8 4 26 1 9 4 28 1 10 5 6 2 11 5 7 1 12 5 8 1 13 6 29 1 14 6 30 1 15 7 26 1 16 7 31 1 17 7 32 1 18 8 9 1 19 8 12 2 20 9 10 2 21 9 11 1 22 11 33 1 23 13 14 am 24 13 34 1 25 14 15 2 26 14 16 1 27 16 17 2 28 16 20 1 29 17 18 1 30 18 19 1 31 19 35 1 32 19 36 1 33 19 37 1 34 20 21 ar 35 20 24 ar 36 21 22 ar 37 21 38 1 38 22 23 ar 39 23 24 ar 40 23 25 1 41 25 39 1 42 25 40 1