@MOLECULE (2r,3r,4r,5r)-2,5-bis[(3-fluorobenzyl)oxy]-3,4-dihydroxy-n,n'-bis[(1s,2r)-2-hydroxy-2,3-dihydro-1h-inden-1-yl]hexanediamide 88 93 0 0 0 SMALL GASTEIGER @ATOM 1 C 1.4060 1.7922 1.9902 C.ar 1 UNL1111111111 0.0356 2 C 1.5966 2.0047 0.6259 C.ar 1 UNL1111111111 -0.1875 3 C 2.4757 2.9917 0.1805 C.ar 1 UNL1111111111 -0.0852 4 C 3.1769 3.7775 1.0914 C.ar 1 UNL1111111111 -0.2364 5 C 2.9681 3.5395 2.4494 C.ar 1 UNL1111111111 0.2059 6 C 2.0996 2.5627 2.9276 C.ar 1 UNL1111111111 -0.2681 7 C -1.4059 1.7028 -2.0362 C.ar 1 UNL1111111111 0.0340 8 C -2.1069 2.4547 -2.9831 C.ar 1 UNL1111111111 -0.2688 9 C -2.9732 3.4395 -2.5174 C.ar 1 UNL1111111111 0.2067 10 C -3.1751 3.7027 -1.1629 C.ar 1 UNL1111111111 -0.2376 11 C -2.4680 2.9342 -0.2420 C.ar 1 UNL1111111111 -0.0834 12 C -1.5881 1.9426 -0.6755 C.ar 1 UNL1111111111 -0.1882 13 C -0.4505 0.6552 -2.5256 C.3 1 UNL1111111111 -0.0670 14 O -0.1011 -0.1070 -1.3698 O.3 1 UNL1111111111 -0.3562 15 C 0.7578 -1.1934 -1.6144 C.3 1 UNL1111111111 -0.0326 16 C 0.7231 -1.9920 -0.2823 C.3 1 UNL1111111111 0.0936 17 C -0.6914 -1.9840 0.3401 C.3 1 UNL1111111111 0.0941 18 C -0.7421 -1.1229 1.6316 C.3 1 UNL1111111111 -0.0324 19 C -2.1683 -0.6041 1.8627 C.2 1 UNL1111111111 0.5393 20 O -2.4290 0.5589 2.0923 O.2 1 UNL1111111111 -0.5361 21 N -3.1443 -1.5706 1.8217 N.am 1 UNL1111111111 -0.5873 22 O 0.1389 -0.0596 1.3658 O.3 1 UNL1111111111 -0.3555 23 C 0.4452 0.7581 2.4959 C.3 1 UNL1111111111 -0.0681 24 O -1.0973 -3.2913 0.6631 O.3 1 UNL1111111111 -0.5654 25 O 1.1411 -3.3096 -0.5405 O.3 1 UNL1111111111 -0.5651 26 C 2.1831 -0.7015 -1.9022 C.2 1 UNL1111111111 0.5393 27 O 2.4424 0.4417 -2.2170 O.2 1 UNL1111111111 -0.5342 28 N 3.1582 -1.6660 -1.8052 N.am 1 UNL1111111111 -0.5879 29 C 4.5637 -1.2941 -1.8784 C.3 1 UNL1111111111 0.0260 30 C 5.1224 -0.7656 -0.5772 C.ar 1 UNL1111111111 -0.0820 31 C 6.3776 -1.3371 -0.3050 C.ar 1 UNL1111111111 -0.0112 32 C 4.5608 0.1594 0.2803 C.ar 1 UNL1111111111 -0.1306 33 C 5.2629 0.5104 1.4387 C.ar 1 UNL1111111111 -0.1562 34 C 6.5043 -0.0560 1.7118 C.ar 1 UNL1111111111 -0.1338 35 C 5.4661 -2.5543 -2.1692 C.3 1 UNL1111111111 0.1431 36 O 4.8349 -3.7262 -1.7233 O.3 1 UNL1111111111 -0.5488 37 C 7.0769 -0.9872 0.8359 C.ar 1 UNL1111111111 -0.1756 38 C 6.7718 -2.3099 -1.3716 C.3 1 UNL1111111111 -0.3536 39 C -4.5486 -1.1950 1.8887 C.3 1 UNL1111111111 0.0258 40 C -5.1336 -0.7522 0.5676 C.ar 1 UNL1111111111 -0.0816 41 C -6.3950 -1.3375 0.3610 C.ar 1 UNL1111111111 -0.0113 42 C -4.5948 0.1210 -0.3562 C.ar 1 UNL1111111111 -0.1303 43 C -5.3280 0.4071 -1.5133 C.ar 1 UNL1111111111 -0.1562 44 C -6.5768 -0.1712 -1.7200 C.ar 1 UNL1111111111 -0.1335 45 C -5.4430 -2.4338 2.2794 C.3 1 UNL1111111111 0.1428 46 O -4.8162 -3.6314 1.9002 O.3 1 UNL1111111111 -0.5493 47 C -7.1244 -1.0522 -0.7789 C.ar 1 UNL1111111111 -0.1757 48 C -6.7642 -2.2438 1.4934 C.3 1 UNL1111111111 -0.3535 49 F -3.6436 4.1584 -3.4076 F 1 UNL1111111111 -0.1839 50 F 3.6324 4.2759 3.3298 F 1 UNL1111111111 -0.1835 51 H 1.0619 1.3974 -0.1148 H 1 UNL1111111111 0.1992 52 H 2.6154 3.1383 -0.8930 H 1 UNL1111111111 0.1675 53 H 3.8639 4.5484 0.7515 H 1 UNL1111111111 0.1724 54 H 1.9609 2.4078 3.9936 H 1 UNL1111111111 0.1681 55 H -1.9756 2.2795 -4.0469 H 1 UNL1111111111 0.1682 56 H -3.8617 4.4783 -0.8333 H 1 UNL1111111111 0.1723 57 H -2.6038 3.0956 0.8300 H 1 UNL1111111111 0.1686 58 H -1.0466 1.3529 0.0740 H 1 UNL1111111111 0.1999 59 H 0.4662 1.1237 -2.9475 H 1 UNL1111111111 0.1738 60 H -0.9105 -0.0097 -3.2789 H 1 UNL1111111111 0.1288 61 H 0.3896 -1.8097 -2.4646 H 1 UNL1111111111 0.1481 62 H 1.4991 -1.6247 0.4339 H 1 UNL1111111111 0.1807 63 H -1.4696 -1.6620 -0.3956 H 1 UNL1111111111 0.1796 64 H -0.4024 -1.7056 2.5172 H 1 UNL1111111111 0.1485 65 H -2.9320 -2.5368 1.5908 H 1 UNL1111111111 0.3420 66 H -0.4865 1.2394 2.8682 H 1 UNL1111111111 0.1738 67 H 0.8850 0.1305 3.2918 H 1 UNL1111111111 0.1289 68 H -0.4017 -3.7776 1.1635 H 1 UNL1111111111 0.3388 69 H 0.4515 -3.8252 -1.0192 H 1 UNL1111111111 0.3388 70 H 2.9448 -2.6137 -1.5074 H 1 UNL1111111111 0.3417 71 H 4.7018 -0.5237 -2.6864 H 1 UNL1111111111 0.1782 72 H 3.5943 0.6152 0.0558 H 1 UNL1111111111 0.1784 73 H 4.8306 1.2388 2.1246 H 1 UNL1111111111 0.1594 74 H 7.0412 0.2283 2.6153 H 1 UNL1111111111 0.1509 75 H 5.6109 -2.7406 -3.2484 H 1 UNL1111111111 0.1497 76 H 4.7993 -3.7606 -0.7429 H 1 UNL1111111111 0.3244 77 H 8.0480 -1.4213 1.0532 H 1 UNL1111111111 0.1531 78 H 7.1730 -3.2563 -0.9666 H 1 UNL1111111111 0.1702 79 H 7.5680 -1.8975 -2.0185 H 1 UNL1111111111 0.1693 80 H -4.6756 -0.3716 2.6454 H 1 UNL1111111111 0.1783 81 H -3.6228 0.5876 -0.1833 H 1 UNL1111111111 0.1786 82 H -4.9154 1.0953 -2.2505 H 1 UNL1111111111 0.1590 83 H -7.1391 0.0643 -2.6221 H 1 UNL1111111111 0.1509 84 H -5.5667 -2.5479 3.3713 H 1 UNL1111111111 0.1495 85 H -4.8016 -3.7323 0.9238 H 1 UNL1111111111 0.3247 86 H -8.1004 -1.4977 -0.9458 H 1 UNL1111111111 0.1532 87 H -7.1694 -3.2147 1.1559 H 1 UNL1111111111 0.1704 88 H -7.5496 -1.7940 2.1286 H 1 UNL1111111111 0.1694 @BOND 1 1 2 ar 2 1 6 ar 3 1 23 1 4 2 3 ar 5 2 51 1 6 3 4 ar 7 3 52 1 8 4 5 ar 9 4 53 1 10 5 6 ar 11 5 50 1 12 6 54 1 13 7 8 ar 14 7 12 ar 15 7 13 1 16 8 9 ar 17 8 55 1 18 9 10 ar 19 9 49 1 20 10 11 ar 21 10 56 1 22 11 12 ar 23 11 57 1 24 12 58 1 25 13 14 1 26 13 59 1 27 13 60 1 28 14 15 1 29 15 16 1 30 15 26 1 31 15 61 1 32 16 17 1 33 16 25 1 34 16 62 1 35 17 18 1 36 17 24 1 37 17 63 1 38 18 19 1 39 18 22 1 40 18 64 1 41 19 20 2 42 19 21 am 43 21 39 1 44 21 65 1 45 22 23 1 46 23 66 1 47 23 67 1 48 24 68 1 49 25 69 1 50 26 27 2 51 26 28 am 52 28 29 1 53 28 70 1 54 29 30 1 55 29 35 1 56 29 71 1 57 30 31 ar 58 30 32 ar 59 31 37 ar 60 31 38 1 61 32 33 ar 62 32 72 1 63 33 34 ar 64 33 73 1 65 34 37 ar 66 34 74 1 67 35 36 1 68 35 38 1 69 35 75 1 70 36 76 1 71 37 77 1 72 38 78 1 73 38 79 1 74 39 40 1 75 39 45 1 76 39 80 1 77 40 41 ar 78 40 42 ar 79 41 47 ar 80 41 48 1 81 42 43 ar 82 42 81 1 83 43 44 ar 84 43 82 1 85 44 47 ar 86 44 83 1 87 45 46 1 88 45 48 1 89 45 84 1 90 46 85 1 91 47 86 1 92 48 87 1 93 48 88 1