@MOLECULE (2r,3r,4r,5r)-2,5-bis[(2,4-difluorobenzyl)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 -1.0867 1.7496 -2.5824 C.ar 1 UNL1111111111 -0.1174 2 C -0.8392 2.4451 -1.3955 C.ar 1 UNL1111111111 -0.0544 3 C -1.6705 3.4839 -0.9855 C.ar 1 UNL1111111111 -0.2561 4 C -2.7469 3.8312 -1.8016 C.ar 1 UNL1111111111 0.2344 5 C -3.0291 3.1842 -3.0033 C.ar 1 UNL1111111111 -0.3006 6 C -2.1773 2.1418 -3.3628 C.ar 1 UNL1111111111 0.2178 7 C 1.0280 1.2964 2.8810 C.ar 1 UNL1111111111 -0.1216 8 C 2.1766 1.5363 3.6370 C.ar 1 UNL1111111111 0.2218 9 C 3.0192 2.6232 3.4072 C.ar 1 UNL1111111111 -0.3020 10 C 2.6624 3.4775 2.3657 C.ar 1 UNL1111111111 0.2373 11 C 1.5218 3.2903 1.5845 C.ar 1 UNL1111111111 -0.2565 12 C 0.7054 2.1981 1.8619 C.ar 1 UNL1111111111 -0.0524 13 C 0.1402 0.1128 3.1018 C.3 1 UNL1111111111 -0.0326 14 O -0.2105 -0.2631 1.7649 O.3 1 UNL1111111111 -0.3804 15 C -0.8395 -1.5160 1.6264 C.3 1 UNL1111111111 -0.0302 16 C -0.7202 -1.7626 0.1011 C.3 1 UNL1111111111 0.0910 17 C 0.7580 -1.7183 -0.3461 C.3 1 UNL1111111111 0.0933 18 C 0.8724 -1.1796 -1.7953 C.3 1 UNL1111111111 -0.0311 19 C 2.3140 -0.9093 -2.2475 C.2 1 UNL1111111111 0.5409 20 O 2.5649 -0.0745 -3.0956 O.2 1 UNL1111111111 -0.5449 21 N 3.3054 -1.6641 -1.6755 N.am 1 UNL1111111111 -0.5783 22 O 0.1913 0.0515 -1.7154 O.3 1 UNL1111111111 -0.3774 23 C -0.1833 0.6240 -2.9736 C.3 1 UNL1111111111 -0.0356 24 O 1.3180 -3.0063 -0.2639 O.3 1 UNL1111111111 -0.5581 25 O -1.2811 -3.0066 -0.2402 O.3 1 UNL1111111111 -0.5594 26 C -2.2831 -1.3867 2.1350 C.2 1 UNL1111111111 0.5427 27 O -2.5247 -0.8361 3.1926 O.2 1 UNL1111111111 -0.5486 28 N -3.2829 -1.9037 1.3517 N.am 1 UNL1111111111 -0.5737 29 C -4.6748 -1.7147 1.7189 C.3 1 UNL1111111111 0.0154 30 C -5.4188 -0.8354 0.7414 C.ar 1 UNL1111111111 -0.0786 31 C -6.6969 -1.3625 0.4825 C.ar 1 UNL1111111111 -0.0083 32 C -4.9917 0.3345 0.1425 C.ar 1 UNL1111111111 -0.1293 33 C -5.8653 0.9892 -0.7337 C.ar 1 UNL1111111111 -0.1552 34 C -7.1360 0.4769 -0.9817 C.ar 1 UNL1111111111 -0.1323 35 C -5.4895 -3.0638 1.6787 C.3 1 UNL1111111111 0.1417 36 O -4.9155 -3.9603 0.7667 O.3 1 UNL1111111111 -0.5450 37 C -7.5660 -0.7081 -0.3712 C.ar 1 UNL1111111111 -0.1727 38 C -6.9100 -2.6499 1.2160 C.3 1 UNL1111111111 -0.3544 39 C 4.6967 -1.4060 -2.0019 C.3 1 UNL1111111111 0.0169 40 C 5.4421 -0.6759 -0.9094 C.ar 1 UNL1111111111 -0.0775 41 C 6.7296 -1.2217 -0.7502 C.ar 1 UNL1111111111 -0.0108 42 C 5.0111 0.3805 -0.1308 C.ar 1 UNL1111111111 -0.1286 43 C 5.8880 0.8991 0.8293 C.ar 1 UNL1111111111 -0.1542 44 C 7.1658 0.3674 0.9828 C.ar 1 UNL1111111111 -0.1331 45 C 5.5139 -2.7455 -2.1498 C.3 1 UNL1111111111 0.1429 46 O 4.9693 -3.7437 -1.3273 O.3 1 UNL1111111111 -0.5471 47 C 7.6007 -0.7018 0.1886 C.ar 1 UNL1111111111 -0.1727 48 C 6.9438 -2.3779 -1.6775 C.3 1 UNL1111111111 -0.3538 49 F 3.4416 4.5160 2.1113 F 1 UNL1111111111 -0.1650 50 F -3.5359 4.8246 -1.4235 F 1 UNL1111111111 -0.1657 51 F -2.4154 1.5084 -4.4998 F 1 UNL1111111111 -0.1641 52 F 2.4859 0.7078 4.6205 F 1 UNL1111111111 -0.1636 53 H 0.0267 2.1623 -0.7857 H 1 UNL1111111111 0.1821 54 H -1.4803 4.0138 -0.0537 H 1 UNL1111111111 0.1794 55 H -3.8690 3.4777 -3.6302 H 1 UNL1111111111 0.1932 56 H 3.9077 2.7944 4.0116 H 1 UNL1111111111 0.1931 57 H 1.2745 3.9805 0.7794 H 1 UNL1111111111 0.1800 58 H -0.2061 2.0328 1.2765 H 1 UNL1111111111 0.1797 59 H -0.7885 0.3894 3.6507 H 1 UNL1111111111 0.1772 60 H 0.6253 -0.7313 3.6198 H 1 UNL1111111111 0.1380 61 H -0.3128 -2.3037 2.2109 H 1 UNL1111111111 0.1550 62 H -1.3441 -1.0295 -0.4710 H 1 UNL1111111111 0.1885 63 H 1.3853 -1.1164 0.3586 H 1 UNL1111111111 0.1871 64 H 0.3824 -1.8685 -2.5209 H 1 UNL1111111111 0.1538 65 H 3.1098 -2.3995 -1.0046 H 1 UNL1111111111 0.3434 66 H 0.7337 0.9973 -3.4849 H 1 UNL1111111111 0.1798 67 H -0.6662 -0.1417 -3.6049 H 1 UNL1111111111 0.1365 68 H 0.9053 -3.6222 -0.9118 H 1 UNL1111111111 0.3328 69 H -0.9031 -3.7359 0.3018 H 1 UNL1111111111 0.3333 70 H -3.0878 -2.4556 0.5250 H 1 UNL1111111111 0.3404 71 H -4.7418 -1.2707 2.7534 H 1 UNL1111111111 0.1903 72 H -4.0017 0.7376 0.3464 H 1 UNL1111111111 0.1630 73 H -5.5429 1.9078 -1.2224 H 1 UNL1111111111 0.1546 74 H -7.8074 1.0020 -1.6594 H 1 UNL1111111111 0.1504 75 H -5.4561 -3.6180 2.6339 H 1 UNL1111111111 0.1517 76 H -5.0146 -3.6426 -0.1560 H 1 UNL1111111111 0.3213 77 H -8.5588 -1.1007 -0.5707 H 1 UNL1111111111 0.1545 78 H -7.3692 -3.4353 0.5900 H 1 UNL1111111111 0.1711 79 H -7.5891 -2.5146 2.0786 H 1 UNL1111111111 0.1700 80 H 4.7619 -0.8151 -2.9602 H 1 UNL1111111111 0.1886 81 H 4.0153 0.8010 -0.2605 H 1 UNL1111111111 0.1641 82 H 5.5655 1.7267 1.4583 H 1 UNL1111111111 0.1546 83 H 7.8387 0.7837 1.7303 H 1 UNL1111111111 0.1503 84 H 5.4519 -3.1848 -3.1605 H 1 UNL1111111111 0.1510 85 H 5.0990 -3.5300 -0.3775 H 1 UNL1111111111 0.3234 86 H 8.5984 -1.1118 0.3173 H 1 UNL1111111111 0.1544 87 H 7.4374 -3.2386 -1.1933 H 1 UNL1111111111 0.1709 88 H 7.5898 -2.0981 -2.5311 H 1 UNL1111111111 0.1699 @BOND 1 1 2 ar 2 1 6 ar 3 1 23 1 4 2 3 ar 5 2 53 1 6 3 4 ar 7 3 54 1 8 4 5 ar 9 4 50 1 10 5 6 ar 11 5 55 1 12 6 51 1 13 7 8 ar 14 7 12 ar 15 7 13 1 16 8 9 ar 17 8 52 1 18 9 10 ar 19 9 56 1 20 10 11 ar 21 10 49 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