@MOLECULE (2e,4e,8e)-n-[(2s,3r)-3-hydroxy-1-{[(3z,5s,8s,10s)-10-hydroxy-5-methyl-2,7-dioxo-1,6-diazacyclododec-3-en-8-yl]amino}-1-oxo-2-butanyl]-2,4,8-tetradecatrienamide 85 85 0 0 0 SMALL GASTEIGER @ATOM 1 O 1.7097 -2.0314 1.4529 O.3 1 UNL1111111111 -0.5445 2 O 4.4642 1.5276 -1.0797 O.2 1 UNL1111111111 -0.5238 3 O 0.3063 4.3087 1.7839 O.3 1 UNL1111111111 -0.5539 4 O 0.4437 1.3334 1.4890 O.2 1 UNL1111111111 -0.4840 5 O 5.6011 -1.5925 -1.9218 O.2 1 UNL1111111111 -0.5003 6 O -1.7830 1.6716 -1.6784 O.2 1 UNL1111111111 -0.5578 7 N 1.9165 1.5411 -0.2265 N.am 1 UNL1111111111 -0.6142 8 N 5.1872 0.2318 0.6356 N.am 1 UNL1111111111 -0.6197 9 N 5.0837 -3.3840 -0.6404 N.am 1 UNL1111111111 -0.6175 10 N -1.4208 2.9140 0.1725 N.am 1 UNL1111111111 -0.5702 11 C 2.3770 -0.8740 -0.4495 C.3 1 UNL1111111111 -0.3344 12 C 2.7529 0.4508 0.2502 C.3 1 UNL1111111111 0.0254 13 C 2.7015 -2.0737 0.4422 C.3 1 UNL1111111111 0.1644 14 C 2.6253 -3.4118 -0.3106 C.3 1 UNL1111111111 -0.3708 15 C 4.2020 0.8061 -0.1404 C.2 1 UNL1111111111 0.5572 16 C 3.7898 -3.5690 -1.3037 C.3 1 UNL1111111111 -0.0612 17 C -0.0143 3.0509 -0.1695 C.3 1 UNL1111111111 -0.0281 18 C 0.7734 1.8899 0.4697 C.2 1 UNL1111111111 0.5582 19 C 0.5636 4.3793 0.3935 C.3 1 UNL1111111111 0.1539 20 C 6.6007 0.3955 0.2736 C.3 1 UNL1111111111 0.1033 21 C 7.3481 -0.9005 0.4808 C.2 1 UNL1111111111 -0.1041 22 C -0.1168 5.6030 -0.2069 C.3 1 UNL1111111111 -0.5013 23 C 7.2197 1.5323 1.1039 C.3 1 UNL1111111111 -0.4758 24 C 5.8657 -2.2823 -0.9601 C.2 1 UNL1111111111 0.5879 25 C 7.0285 -2.0783 -0.0602 C.2 1 UNL1111111111 -0.2926 26 C -2.2295 2.1353 -0.6416 C.2 1 UNL1111111111 0.5975 27 C -5.3062 -3.6449 1.0259 C.3 1 UNL1111111111 -0.2656 28 C -4.4841 -2.3545 0.8990 C.3 1 UNL1111111111 -0.2689 29 C -6.7778 -3.3382 1.3419 C.3 1 UNL1111111111 -0.2846 30 C -2.9992 -2.6792 0.6862 C.3 1 UNL1111111111 -0.2449 31 C -3.6356 2.0346 -0.2207 C.2 1 UNL1111111111 -0.3135 32 C -7.4366 -2.6317 0.2024 C.2 1 UNL1111111111 -0.1467 33 C -2.1634 -1.4089 0.5618 C.3 1 UNL1111111111 -0.4476 34 C -8.7983 -0.7917 -0.7728 C.3 1 UNL1111111111 -0.2666 35 C -8.0940 -1.4788 0.3532 C.2 1 UNL1111111111 -0.1799 36 C -4.5243 1.3872 -0.9908 C.2 1 UNL1111111111 -0.0136 37 C -8.2859 0.6484 -0.9404 C.3 1 UNL1111111111 -0.2878 38 C -5.9325 1.3500 -0.6382 C.2 1 UNL1111111111 -0.2376 39 C -6.8462 0.6542 -1.3298 C.2 1 UNL1111111111 -0.0684 40 H 2.8854 -0.9559 -1.4306 H 1 UNL1111111111 0.1723 41 H 1.2836 -0.8680 -0.6674 H 1 UNL1111111111 0.1932 42 H 2.6270 0.3459 1.3647 H 1 UNL1111111111 0.1934 43 H 3.6886 -1.9644 0.9434 H 1 UNL1111111111 0.1016 44 H 2.6187 -4.2481 0.4100 H 1 UNL1111111111 0.1413 45 H 1.6605 -3.4814 -0.8499 H 1 UNL1111111111 0.1703 46 H 2.1740 1.9474 -1.1158 H 1 UNL1111111111 0.3330 47 H 3.6937 -2.8347 -2.1419 H 1 UNL1111111111 0.1780 48 H 3.7650 -4.5767 -1.7753 H 1 UNL1111111111 0.1373 49 H 0.0935 3.0377 -1.2893 H 1 UNL1111111111 0.1862 50 H 4.9770 -0.3076 1.4551 H 1 UNL1111111111 0.3098 51 H 1.6690 4.4069 0.2435 H 1 UNL1111111111 0.1273 52 H 6.6614 0.6716 -0.8277 H 1 UNL1111111111 0.1992 53 H 1.7675 -2.8037 2.0432 H 1 UNL1111111111 0.3071 54 H 5.2646 -3.9425 0.1732 H 1 UNL1111111111 0.3044 55 H -1.6538 3.1258 1.1365 H 1 UNL1111111111 0.3328 56 H 8.2355 -0.8100 1.1137 H 1 UNL1111111111 0.1549 57 H 0.3218 6.5329 0.1629 H 1 UNL1111111111 0.1469 58 H -0.0493 5.6117 -1.3016 H 1 UNL1111111111 0.1626 59 H -1.1864 5.6182 0.0487 H 1 UNL1111111111 0.1712 60 H 7.1372 1.3507 2.1799 H 1 UNL1111111111 0.1493 61 H 8.2754 1.6770 0.8583 H 1 UNL1111111111 0.1492 62 H 6.7046 2.4801 0.8922 H 1 UNL1111111111 0.1678 63 H 7.6393 -2.9672 0.1023 H 1 UNL1111111111 0.1686 64 H 0.6090 5.1179 2.2370 H 1 UNL1111111111 0.3179 65 H -4.8876 -4.2882 1.8222 H 1 UNL1111111111 0.1335 66 H -5.2319 -4.2346 0.0891 H 1 UNL1111111111 0.1345 67 H -4.6134 -1.7267 1.7986 H 1 UNL1111111111 0.1383 68 H -4.8650 -1.7450 0.0581 H 1 UNL1111111111 0.1418 69 H -7.3240 -4.2823 1.5528 H 1 UNL1111111111 0.1436 70 H -6.8385 -2.7504 2.2796 H 1 UNL1111111111 0.1445 71 H -2.6267 -3.2918 1.5301 H 1 UNL1111111111 0.1274 72 H -2.8752 -3.3005 -0.2206 H 1 UNL1111111111 0.1266 73 H -3.9140 2.5236 0.7084 H 1 UNL1111111111 0.1664 74 H -7.3440 -3.1275 -0.7614 H 1 UNL1111111111 0.1426 75 H -2.2701 -0.7608 1.4381 H 1 UNL1111111111 0.1496 76 H -2.4422 -0.8179 -0.3192 H 1 UNL1111111111 0.1489 77 H -1.0925 -1.6395 0.4747 H 1 UNL1111111111 0.1522 78 H -8.6860 -1.3462 -1.7248 H 1 UNL1111111111 0.1439 79 H -9.8896 -0.7774 -0.5669 H 1 UNL1111111111 0.1449 80 H -8.1582 -0.9702 1.3124 H 1 UNL1111111111 0.1453 81 H -4.2157 0.8795 -1.9124 H 1 UNL1111111111 0.1678 82 H -8.4585 1.2132 -0.0015 H 1 UNL1111111111 0.1491 83 H -8.8817 1.1770 -1.7145 H 1 UNL1111111111 0.1498 84 H -6.5926 0.0522 -2.2032 H 1 UNL1111111111 0.1480 85 H -6.2167 1.9294 0.2431 H 1 UNL1111111111 0.1581 @BOND 1 1 13 1 2 1 53 1 3 2 15 2 4 3 19 1 5 3 64 1 6 4 18 2 7 5 24 2 8 6 26 2 9 7 12 1 10 7 18 am 11 7 46 1 12 8 15 am 13 8 20 1 14 8 50 1 15 9 16 1 16 9 24 am 17 9 54 1 18 10 17 1 19 10 26 am 20 10 55 1 21 11 12 1 22 11 13 1 23 11 40 1 24 11 41 1 25 12 15 1 26 12 42 1 27 13 14 1 28 13 43 1 29 14 16 1 30 14 44 1 31 14 45 1 32 16 47 1 33 16 48 1 34 17 18 1 35 17 19 1 36 17 49 1 37 19 22 1 38 19 51 1 39 20 21 1 40 20 23 1 41 20 52 1 42 21 25 2 43 21 56 1 44 22 57 1 45 22 58 1 46 22 59 1 47 23 60 1 48 23 61 1 49 23 62 1 50 24 25 1 51 25 63 1 52 26 31 1 53 27 28 1 54 27 29 1 55 27 65 1 56 27 66 1 57 28 30 1 58 28 67 1 59 28 68 1 60 29 32 1 61 29 69 1 62 29 70 1 63 30 33 1 64 30 71 1 65 30 72 1 66 31 36 2 67 31 73 1 68 32 35 2 69 32 74 1 70 33 75 1 71 33 76 1 72 33 77 1 73 34 35 1 74 34 37 1 75 34 78 1 76 34 79 1 77 35 80 1 78 36 38 1 79 36 81 1 80 37 39 1 81 37 82 1 82 37 83 1 83 38 39 2 84 38 85 1 85 39 84 1