@MOLECULE (2r,3r,4r,5r)-3,4-dihydroxy-n,n'-bis[(1s,2r)-2-hydroxy-2,3-dihydro-1h-inden-1-yl]-2,5-bis(2-phenylethyl)hexanediamide 92 97 0 0 0 SMALL GASTEIGER @ATOM 1 C -3.5589 -3.7668 -1.4162 C.ar 1 UNL1111111111 0.0212 2 C -4.0538 -4.6740 -0.4771 C.ar 1 UNL1111111111 -0.1775 3 C -4.0000 -6.0416 -0.7356 C.ar 1 UNL1111111111 -0.1350 4 C -3.4557 -6.5067 -1.9313 C.ar 1 UNL1111111111 -0.1656 5 C -2.9665 -5.6010 -2.8713 C.ar 1 UNL1111111111 -0.1361 6 C -3.0162 -4.2329 -2.6153 C.ar 1 UNL1111111111 -0.1738 7 C 3.6384 -0.1355 3.5457 C.ar 1 UNL1111111111 0.0139 8 C 4.7654 -0.9330 3.3310 C.ar 1 UNL1111111111 -0.1770 9 C 5.3224 -1.6482 4.3871 C.ar 1 UNL1111111111 -0.1325 10 C 4.7679 -1.5586 5.6640 C.ar 1 UNL1111111111 -0.1652 11 C 3.6553 -0.7496 5.8815 C.ar 1 UNL1111111111 -0.1381 12 C 3.0880 -0.0415 4.8238 C.ar 1 UNL1111111111 -0.1729 13 C 3.0037 0.5884 2.3960 C.3 1 UNL1111111111 -0.2944 14 C 2.2321 -0.4286 1.5385 C.3 1 UNL1111111111 -0.2699 15 C 1.7530 0.1459 0.2023 C.3 1 UNL1111111111 -0.2332 16 C 0.4693 -0.5898 -0.2708 C.3 1 UNL1111111111 0.1320 17 C -0.7873 -0.0455 0.4622 C.3 1 UNL1111111111 0.1039 18 C -2.0936 -0.3998 -0.2926 C.3 1 UNL1111111111 -0.2510 19 C -3.2731 0.1369 0.5042 C.2 1 UNL1111111111 0.5850 20 O -3.3552 0.0309 1.7186 O.2 1 UNL1111111111 -0.5774 21 N -4.2665 0.7702 -0.2056 N.am 1 UNL1111111111 -0.5767 22 C -2.2650 -1.9178 -0.4244 C.3 1 UNL1111111111 -0.2592 23 C -3.5767 -2.2978 -1.1249 C.3 1 UNL1111111111 -0.3014 24 O -0.7625 -0.6346 1.7406 O.3 1 UNL1111111111 -0.5931 25 O 0.6133 -1.9696 -0.0724 O.3 1 UNL1111111111 -0.5348 26 C 2.7834 0.0228 -0.9184 C.2 1 UNL1111111111 0.5885 27 O 2.4623 -0.1072 -2.0850 O.2 1 UNL1111111111 -0.5649 28 N 4.1129 0.1483 -0.5812 N.am 1 UNL1111111111 -0.6014 29 C 5.1472 0.0023 -1.5951 C.3 1 UNL1111111111 0.0285 30 C 5.4272 1.2468 -2.4039 C.ar 1 UNL1111111111 -0.0698 31 C 6.8127 1.4527 -2.5315 C.ar 1 UNL1111111111 -0.0151 32 C 4.5241 2.0935 -3.0168 C.ar 1 UNL1111111111 -0.1238 33 C 5.0186 3.1695 -3.7637 C.ar 1 UNL1111111111 -0.1646 34 C 6.3891 3.3749 -3.8901 C.ar 1 UNL1111111111 -0.1363 35 C 6.5382 -0.3090 -0.9169 C.3 1 UNL1111111111 0.1447 36 O 6.5617 0.2012 0.3935 O.3 1 UNL1111111111 -0.5585 37 C 7.3035 2.5134 -3.2714 C.ar 1 UNL1111111111 -0.1772 38 C 7.5903 0.4058 -1.7965 C.3 1 UNL1111111111 -0.3518 39 C -5.4833 1.2032 0.4653 C.3 1 UNL1111111111 0.0119 40 C -5.6088 2.7000 0.6133 C.ar 1 UNL1111111111 -0.0724 41 C -6.9223 3.1133 0.3210 C.ar 1 UNL1111111111 -0.0142 42 C -4.6464 3.6097 1.0055 C.ar 1 UNL1111111111 -0.1274 43 C -5.0062 4.9601 1.1005 C.ar 1 UNL1111111111 -0.1584 44 C -6.3054 5.3701 0.8157 C.ar 1 UNL1111111111 -0.1347 45 C -7.2807 4.4448 0.4225 C.ar 1 UNL1111111111 -0.1712 46 C -6.7612 0.8231 -0.3802 C.3 1 UNL1111111111 0.1425 47 O -6.4326 0.7864 -1.7457 O.3 1 UNL1111111111 -0.5548 48 C -7.7759 1.9553 -0.0933 C.3 1 UNL1111111111 -0.3526 49 H -4.4771 -4.3133 0.4577 H 1 UNL1111111111 0.1529 50 H -4.3809 -6.7480 -0.0004 H 1 UNL1111111111 0.1462 51 H -3.4103 -7.5746 -2.1301 H 1 UNL1111111111 0.1473 52 H -2.5402 -5.9640 -3.8043 H 1 UNL1111111111 0.1472 53 H -2.6257 -3.5287 -3.3463 H 1 UNL1111111111 0.1533 54 H 5.2119 -0.9995 2.3389 H 1 UNL1111111111 0.1613 55 H 6.1920 -2.2798 4.2172 H 1 UNL1111111111 0.1470 56 H 5.2038 -2.1180 6.4877 H 1 UNL1111111111 0.1463 57 H 3.2258 -0.6708 6.8777 H 1 UNL1111111111 0.1457 58 H 2.2115 0.5787 4.9957 H 1 UNL1111111111 0.1516 59 H 3.7705 1.1325 1.8115 H 1 UNL1111111111 0.1420 60 H 2.3107 1.3783 2.7515 H 1 UNL1111111111 0.1535 61 H 1.3598 -0.7823 2.1367 H 1 UNL1111111111 0.1821 62 H 2.8370 -1.3415 1.3666 H 1 UNL1111111111 0.1576 63 H 1.5275 1.2350 0.3185 H 1 UNL1111111111 0.1656 64 H 0.3517 -0.5058 -1.3813 H 1 UNL1111111111 0.1731 65 H -0.7222 1.0588 0.6018 H 1 UNL1111111111 0.1239 66 H -2.0494 0.0580 -1.3095 H 1 UNL1111111111 0.1637 67 H -4.2847 0.7907 -1.2164 H 1 UNL1111111111 0.3268 68 H -1.4044 -2.3443 -0.9897 H 1 UNL1111111111 0.1855 69 H -2.2133 -2.3973 0.5749 H 1 UNL1111111111 0.1641 70 H -4.4480 -2.0317 -0.4916 H 1 UNL1111111111 0.1530 71 H -3.7051 -1.7138 -2.0575 H 1 UNL1111111111 0.1489 72 H -1.6560 -0.5369 2.1681 H 1 UNL1111111111 0.3695 73 H 0.4043 -2.2045 0.8633 H 1 UNL1111111111 0.3356 74 H 4.4339 0.2211 0.3776 H 1 UNL1111111111 0.3338 75 H 4.8656 -0.8284 -2.3010 H 1 UNL1111111111 0.1762 76 H 3.4506 1.9172 -2.9313 H 1 UNL1111111111 0.1776 77 H 4.3206 3.8438 -4.2566 H 1 UNL1111111111 0.1513 78 H 6.7581 4.2125 -4.4789 H 1 UNL1111111111 0.1488 79 H 6.7161 -1.3898 -0.7684 H 1 UNL1111111111 0.1521 80 H 6.5980 1.1833 0.3908 H 1 UNL1111111111 0.3281 81 H 8.3715 2.6763 -3.3781 H 1 UNL1111111111 0.1536 82 H 8.4069 0.8259 -1.1823 H 1 UNL1111111111 0.1700 83 H 8.0744 -0.2987 -2.4982 H 1 UNL1111111111 0.1686 84 H -5.5476 0.7260 1.4859 H 1 UNL1111111111 0.1911 85 H -3.6344 3.2849 1.2404 H 1 UNL1111111111 0.1635 86 H -4.2597 5.6925 1.4026 H 1 UNL1111111111 0.1537 87 H -6.5711 6.4227 0.8984 H 1 UNL1111111111 0.1514 88 H -8.2933 4.7720 0.2041 H 1 UNL1111111111 0.1562 89 H -7.1294 -0.1990 -0.1778 H 1 UNL1111111111 0.1552 90 H -6.3353 1.6905 -2.1142 H 1 UNL1111111111 0.3243 91 H -8.3998 2.1703 -0.9789 H 1 UNL1111111111 0.1706 92 H -8.4828 1.6701 0.7091 H 1 UNL1111111111 0.1726 @BOND 1 1 2 ar 2 1 6 ar 3 1 23 1 4 2 3 ar 5 2 49 1 6 3 4 ar 7 3 50 1 8 4 5 ar 9 4 51 1 10 5 6 ar 11 5 52 1 12 6 53 1 13 7 8 ar 14 7 12 ar 15 7 13 1 16 8 9 ar 17 8 54 1 18 9 10 ar 19 9 55 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 14 61 1 30 14 62 1 31 15 16 1 32 15 26 1 33 15 63 1 34 16 17 1 35 16 25 1 36 16 64 1 37 17 18 1 38 17 24 1 39 17 65 1 40 18 19 1 41 18 22 1 42 18 66 1 43 19 20 2 44 19 21 am 45 21 39 1 46 21 67 1 47 22 23 1 48 22 68 1 49 22 69 1 50 23 70 1 51 23 71 1 52 24 72 1 53 25 73 1 54 26 27 2 55 26 28 am 56 28 29 1 57 28 74 1 58 29 30 1 59 29 35 1 60 29 75 1 61 30 31 ar 62 30 32 ar 63 31 37 ar 64 31 38 1 65 32 33 ar 66 32 76 1 67 33 34 ar 68 33 77 1 69 34 37 ar 70 34 78 1 71 35 36 1 72 35 38 1 73 35 79 1 74 36 80 1 75 37 81 1 76 38 82 1 77 38 83 1 78 39 40 1 79 39 46 1 80 39 84 1 81 40 41 ar 82 40 42 ar 83 41 45 ar 84 41 48 1 85 42 43 ar 86 42 85 1 87 43 44 ar 88 43 86 1 89 44 45 ar 90 44 87 1 91 45 88 1 92 46 47 1 93 46 48 1 94 46 89 1 95 47 90 1 96 48 91 1 97 48 92 1