@MOLECULE (6r,7s,10z)-10-(2-amino-1,3-thiazol-4-yl)-1-(1,5-dihydroxy-4-oxo-1,4-dihydro-2-pyridinyl)-7-formyl-13,13-dimethyl-3,9-dioxo-6-(sulfoamino)-12-oxa-2,4,8,11-tetraazatetradec-10-en-14-oic acid 42 39 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C 1.7296 1.3111 0.0841 C.1 1 UNL1 0.5745 2 C 4.9872 -0.2436 0.1935 C.1 2 UNL2 0.0669 3 C -3.3437 0.4559 -0.0569 C.3 1 UNL1 -0.2721 4 C -4.6769 0.5394 0.4420 C.2 1 UNL1 0.3194 5 O -2.2298 2.5730 -0.0895 O.2 1 UNL1 -0.1001 6 C -1.4178 4.1681 1.6989 C.2 1 UNL1 0.4693 7 C -1.7929 3.0230 1.1912 C.2 1 UNL1 -0.6658 8 C -1.9878 1.6329 1.7694 C.3 1 UNL1 0.4488 9 C 5.2051 2.1593 0.2824 C.1 2 UNL2 -0.4757 10 O 2.1322 2.2871 0.5898 O.2 1 UNL1 -0.3343 11 N 4.3389 -1.1992 0.1448 N.1 2 UNL2 -0.1458 12 C 5.7366 0.9728 0.2579 C.3 2 UNL2 0.2781 13 N 7.2120 0.7829 0.3298 N.4 2 UNL2 0.5479 14 O 7.5719 -0.1577 1.0220 O.3 2 UNL2 -0.3413 15 C 7.9575 1.5885 -0.3244 C.1 2 UNL2 -0.6654 16 C 8.7818 2.3455 -0.9374 C.1 2 UNL2 0.6149 17 O 9.4975 3.0588 -1.5100 O.3 2 UNL2 -0.2736 18 C 4.6890 3.3453 0.3007 C.1 2 UNL2 0.5704 19 O 4.2402 4.4105 0.3116 O.3 2 UNL2 -0.1765 20 N 1.5570 0.4056 -0.7402 N.2 1 UNL1 -0.4216 21 C 0.7317 -0.7067 -0.7636 C.3 1 UNL1 -0.0903 22 C 1.2443 -1.9896 -0.4893 C.3 1 UNL1 0.3362 23 N 1.5830 -3.0684 -0.2398 N.3 1 UNL1 -0.3388 24 S 1.5537 -4.9639 0.3251 S.3 1 UNL1 2.5579 25 O 0.1033 -5.0069 0.2028 O.3 1 UNL1 -0.9598 26 O 2.1071 -4.8143 1.6431 O.3 1 UNL1 -0.8757 27 O 2.3404 -5.5507 -0.7238 O.3 1 UNL1 -0.8707 28 C -0.5712 -0.6017 -1.1319 C.3 1 UNL1 0.4126 29 C -1.6578 -3.4516 0.2747 C.2 1 UNL1 0.4605 30 O -2.6179 -4.0434 0.4510 O.2 1 UNL1 -0.4712 31 N -1.6845 -0.5452 -1.5545 N.am 1 UNL1 -0.3359 32 C -3.0493 -0.4522 -1.1266 C.2 1 UNL1 0.6793 33 O -3.8436 -1.1759 -1.6884 O.2 1 UNL1 -0.5299 34 N -2.3087 1.2134 0.4665 N.4 1 UNL1 -0.3255 35 C -5.7755 3.1701 -1.3570 C.1 2 UNL2 0.6957 36 O -6.1104 2.0448 -1.3066 O.2 2 UNL2 -0.4394 37 O -5.4551 4.2854 -1.4095 O.2 2 UNL2 -0.2555 38 N -4.9779 1.3492 1.4322 N.2 1 UNL1 -0.3994 39 C -6.2162 1.4582 1.9480 C.1 1 UNL1 0.2216 40 N -7.2332 1.6545 2.4791 N.1 1 UNL1 -0.2715 41 S -6.5974 -1.1503 -0.8574 S.3 1 UNL1 0.8402 42 C -5.6503 -0.3130 -0.1978 C.1 1 UNL1 -0.0587 @BOND 1 33 32 2 2 31 28 1 3 31 32 am 4 17 16 1 5 37 35 2 6 35 36 2 7 28 21 1 8 32 3 1 9 16 15 3 10 41 42 3 11 21 20 1 12 21 22 1 13 20 1 2 14 27 24 1 15 22 23 1 16 15 13 1 17 23 24 1 18 42 4 1 19 5 34 1 20 5 7 1 21 3 4 1 22 3 34 1 23 1 10 2 24 11 2 3 25 2 12 1 26 25 24 1 27 12 9 1 28 12 13 1 29 29 30 2 30 9 18 3 31 18 19 1 32 24 26 1 33 13 14 1 34 4 38 2 35 34 8 1 36 7 6 2 37 7 8 1 38 38 39 1 39 39 40 3