@MOLECULE ethyl (2s,6s)-4-[5-(2-amino-5-isobutyl-1,3-thiazol-4-yl)-2-furyl]-2,6-dimethyl-7-oxo-8-oxa-3,5-diaza-4-phosphadecan-1-oate 4-oxide 66 67 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C -0.3785 2.2471 -0.5385 C.3 1 UNL1 0.0765 2 C -3.8977 -0.7373 0.0989 C.3 1 UNL1 0.0664 3 C 0.3237 -2.8051 -0.2718 C.ar 1 UNL1 -0.1683 4 C 1.7382 -2.9899 -0.4611 C.ar 1 UNL1 -0.1989 5 C 3.4769 0.8787 0.9868 C.3 1 UNL1 -0.2786 6 C -2.4478 5.3190 -0.4749 C.3 1 UNL1 0.0073 7 C -6.5470 -3.1686 0.9910 C.3 1 UNL1 0.0113 8 C 0.9536 2.3917 -1.2824 C.3 1 UNL1 -0.4945 9 C -4.4894 0.2893 -0.8742 C.3 1 UNL1 -0.4873 10 C 2.9848 1.6888 3.3069 C.3 1 UNL1 -0.4575 11 C 2.9259 -0.7725 2.8331 C.3 1 UNL1 -0.4621 12 C -2.3978 6.2378 0.7354 C.3 1 UNL1 -0.4650 13 C -7.6498 -2.9504 -0.0313 C.3 1 UNL1 -0.4867 14 H -0.9424 0.7137 -1.8372 H 1 UNL1 0.2900 15 H -2.4844 -1.5437 -1.2194 H 1 UNL1 0.2899 16 H 7.6928 -1.5795 -1.9441 H 1 UNL1 0.3056 17 H 6.7346 -2.9535 -2.2346 H 1 UNL1 0.3139 18 C 0.1435 -1.4516 -0.1026 C.ar 1 UNL1 0.1158 19 C 2.3173 -1.7472 -0.3813 C.ar 1 UNL1 0.0908 20 C 3.6659 -1.2495 -0.4433 C.ar 1 UNL1 0.1210 21 C 4.1642 -0.1105 0.1390 C.ar 1 UNL1 -0.1861 22 C 5.7921 -1.5022 -1.1518 C.ar 1 UNL1 0.2801 23 O -1.2438 0.1670 1.6719 O.2 1 UNL1 -0.2839 24 O -1.8074 3.3833 -2.1965 O.2 1 UNL1 -0.5256 25 O -4.6850 -2.8268 -0.9265 O.2 1 UNL1 -0.5191 26 C -1.3274 3.3211 -1.0955 C.2 1 UNL1 0.5808 27 C -4.7470 -2.0095 -0.0466 C.2 1 UNL1 0.5849 28 O -1.5506 4.2512 -0.1407 O.3 1 UNL1 -0.4361 29 O -5.6347 -2.0693 0.9714 O.3 1 UNL1 -0.4365 30 C 3.6162 0.5506 2.4953 C.3 1 UNL1 -0.0448 31 N 6.8880 -2.1169 -1.6936 N.pl3 1 UNL1 -0.5777 32 N 4.5772 -2.0280 -1.1734 N.ar 1 UNL1 -0.4755 33 N -1.0947 0.9843 -0.8378 N.3 1 UNL1 -0.5083 34 N -2.5237 -1.2269 -0.2159 N.3 1 UNL1 -0.4086 35 P -1.1807 -0.3048 0.2842 P.3 1 UNL1 0.2239 36 O 1.3455 -0.7759 -0.1687 O.2 1 UNL1 -0.1358 37 S 5.8828 0.0388 -0.2197 S.2 1 UNL1 0.0991 38 H -0.4061 -3.5937 -0.2641 H 1 UNL1 0.1829 39 H 2.2322 -3.9254 -0.6330 H 1 UNL1 0.1834 40 H -0.2315 2.4237 0.5661 H 1 UNL1 0.1854 41 H -3.9688 -0.3553 1.1595 H 1 UNL1 0.1923 42 H 3.8495 1.9088 0.8004 H 1 UNL1 0.1524 43 H 2.3909 0.9311 0.7403 H 1 UNL1 0.1782 44 H 4.6980 0.4737 2.7536 H 1 UNL1 0.1291 45 H 1.4524 3.3333 -1.0248 H 1 UNL1 0.1600 46 H 1.6467 1.5756 -1.0334 H 1 UNL1 0.1703 47 H 0.8193 2.3777 -2.3725 H 1 UNL1 0.1654 48 H -4.4449 -0.0500 -1.9162 H 1 UNL1 0.1594 49 H -5.5364 0.5061 -0.6343 H 1 UNL1 0.1546 50 H -3.9478 1.2484 -0.8289 H 1 UNL1 0.1862 51 H 1.9125 1.7843 3.0903 H 1 UNL1 0.1597 52 H 3.0812 1.5045 4.3822 H 1 UNL1 0.1434 53 H 3.4581 2.6513 3.0933 H 1 UNL1 0.1358 54 H 1.8542 -0.7404 2.5937 H 1 UNL1 0.1660 55 H 3.3578 -1.6079 2.2707 H 1 UNL1 0.1477 56 H 3.0153 -1.0096 3.8976 H 1 UNL1 0.1423 57 H -3.4477 4.8833 -0.6449 H 1 UNL1 0.1309 58 H -2.0966 5.8055 -1.4014 H 1 UNL1 0.1315 59 H -6.9143 -3.1306 2.0338 H 1 UNL1 0.1375 60 H -5.9924 -4.1082 0.8175 H 1 UNL1 0.1367 61 H -3.0785 7.0874 0.6175 H 1 UNL1 0.1509 62 H -2.6784 5.7008 1.6521 H 1 UNL1 0.1625 63 H -1.3859 6.6324 0.8953 H 1 UNL1 0.1570 64 H -8.1266 -1.9710 0.0942 H 1 UNL1 0.1562 65 H -7.2530 -2.9930 -1.0564 H 1 UNL1 0.1693 66 H -8.4284 -3.7167 0.0510 H 1 UNL1 0.1530 @BOND 1 47 8 1 2 17 31 1 3 24 26 2 4 16 31 1 5 48 9 1 6 14 33 1 7 31 22 1 8 58 6 1 9 8 46 1 10 8 45 1 11 8 1 1 12 15 34 1 13 32 22 ar 14 32 20 ar 15 22 37 ar 16 26 1 1 17 26 28 1 18 65 13 1 19 25 27 2 20 9 50 1 21 9 49 1 22 9 2 1 23 33 1 1 24 33 35 1 25 57 6 1 26 39 4 1 27 1 40 1 28 6 28 1 29 6 12 1 30 4 19 ar 31 4 3 ar 32 20 19 1 33 20 21 ar 34 19 36 ar 35 3 38 1 36 3 18 ar 37 37 21 ar 38 34 2 1 39 34 35 1 40 36 18 ar 41 18 35 1 42 27 2 1 43 27 29 1 44 13 66 1 45 13 64 1 46 13 7 1 47 2 41 1 48 21 5 1 49 35 23 2 50 61 12 1 51 12 63 1 52 12 62 1 53 43 5 1 54 42 5 1 55 60 7 1 56 29 7 1 57 5 30 1 58 7 59 1 59 55 11 1 60 30 44 1 61 30 11 1 62 30 10 1 63 54 11 1 64 11 56 1 65 51 10 1 66 53 10 1 67 10 52 1