@MOLECULE 7-{[(2e)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-3-[(z)-2-(4-methyl-1,3-thiazol-5-yl)vinyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid 33 34 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C -3.4596 -1.0717 -3.0988 C.1 1 UNL1 0.3893 2 O -5.4156 -1.0742 0.1563 O.2 1 UNL1 -0.3331 3 N -2.7930 -0.9202 -2.1248 N.1 1 UNL1 -0.4542 4 C -2.1115 -0.4781 0.0027 C.2 1 UNL1 0.0524 5 C -0.9993 -0.3366 1.0591 C.3 1 UNL1 0.2250 6 O -1.7672 0.0310 2.2822 O.2 1 UNL1 -0.0289 7 N -1.8380 -0.8242 -1.2062 N.2 1 UNL1 -0.0518 8 CA -0.2591 -1.5983 1.4009 C.2 1 UNL1 -0.2269 9 C -0.0755 0.7173 0.7845 C.1 1 UNL1 -0.1421 10 S 2.3719 3.4748 -0.1140 S.2 1 UNL1 0.1055 11 C 0.9044 1.4153 0.6119 C.1 1 UNL1 0.0292 12 C 3.0157 -0.3534 0.3752 C.3 1 UNL1 -0.2411 13 C 3.9042 -0.9646 -0.6043 C.3 1 UNL1 -0.2795 14 C 2.1751 1.9907 0.4348 C.2 1 UNL1 -0.0489 15 C 3.2699 1.0429 0.7499 C.2 1 UNL1 0.0293 16 S 4.6383 1.4849 1.4395 S.2 1 UNL1 -0.0057 17 C 2.3659 0.7776 -3.2467 C.1 1 UNL1 0.3639 18 N 2.9796 -0.0323 -2.6146 N.1 1 UNL1 -0.5961 19 C 3.6698 -1.0311 -2.0307 C.3 1 UNL1 0.3185 20 C 5.3738 -1.3235 -0.1329 C.3 1 UNL1 0.4884 21 C 1.9716 -1.0122 0.8685 C.3 1 UNL1 0.3008 22 N 1.1362 -1.6262 1.5252 N.pl3 1 UNL1 -0.2485 23 C -0.9143 -2.7063 1.7798 C.1 1 UNL1 0.5340 24 O -1.4912 -3.6614 2.0586 O.2 1 UNL1 -0.1387 25 C 0.4594 -2.4282 -2.3510 C.2 1 UNL1 0.4816 26 O 1.1405 -1.9405 -1.5747 O.2 1 UNL1 -0.4803 27 O 4.4985 -2.2515 -0.1135 O.3 1 UNL1 -0.2753 28 C -3.3406 -0.1316 0.7579 C.2 1 UNL1 -0.1617 29 C -4.6999 -0.1142 0.1869 C.2 1 UNL1 0.3647 30 S -5.2769 1.4461 -0.5226 S.3 1 UNL1 0.3779 31 C -3.0534 3.2706 -0.2223 C.1 1 UNL1 0.4061 32 N -3.9439 2.4891 -0.3395 N.1 1 UNL1 -0.7144 33 N -3.0701 0.1315 2.0073 N.2 1 UNL1 -0.0393 @BOND 1 17 18 3 2 1 3 3 3 18 19 1 4 25 26 2 5 3 7 1 6 19 13 1 7 7 4 2 8 13 20 1 9 13 27 1 10 13 12 1 11 30 32 1 12 30 29 1 13 32 31 3 14 20 27 1 15 10 14 2 16 4 28 1 17 4 5 1 18 2 29 2 19 29 28 1 20 12 15 1 21 12 21 1 22 14 11 1 23 14 15 1 24 11 9 3 25 15 16 2 26 28 33 2 27 9 5 1 28 21 22 1 29 5 8 1 30 5 6 1 31 8 22 1 32 8 23 2 33 23 24 2 34 33 6 1