@MOLECULE (2r,3r,5r)-2,5-bis(benzyloxy)-3-hydroxy-n,n'-bis[(1s,2r)-2-hydroxy-2,3-dihydro-1h-inden-1-yl]hexanediamide 87 92 0 0 0 SMALL GASTEIGER @ATOM 1 C 1.2024 -0.6706 3.1936 C.ar 1 UNL1111111111111 -0.0233 2 C 1.3910 0.5576 2.5578 C.ar 1 UNL1111111111111 -0.1443 3 C 2.5007 1.3397 2.8699 C.ar 1 UNL1111111111111 -0.1381 4 C 3.4152 0.9041 3.8270 C.ar 1 UNL1111111111111 -0.1669 5 C 3.2255 -0.3223 4.4624 C.ar 1 UNL1111111111111 -0.1414 6 C 2.1227 -1.1124 4.1458 C.ar 1 UNL1111111111111 -0.1833 7 C -1.1150 3.2802 -0.6507 C.ar 1 UNL1111111111111 -0.0044 8 C -1.7052 4.4037 -1.2325 C.ar 1 UNL1111111111111 -0.1865 9 C -2.8225 4.9851 -0.6390 C.ar 1 UNL1111111111111 -0.1388 10 C -3.3532 4.4456 0.5320 C.ar 1 UNL1111111111111 -0.1692 11 C -2.7668 3.3191 1.1063 C.ar 1 UNL1111111111111 -0.1403 12 C -1.6488 2.7330 0.5166 C.ar 1 UNL1111111111111 -0.1413 13 C 0.1157 2.7029 -1.2825 C.3 1 UNL1111111111111 -0.0637 14 O 0.2702 1.4021 -0.7195 O.3 1 UNL1111111111111 -0.3679 15 C 0.0061 -1.5205 2.8740 C.3 1 UNL1111111111111 -0.0527 16 O -0.5298 -0.9868 1.6684 O.3 1 UNL1111111111111 -0.3643 17 C 0.9660 0.4819 -1.5310 C.3 1 UNL1111111111111 0.0418 18 C 0.7921 -0.8420 -0.7743 C.3 1 UNL1111111111111 -0.3434 19 C -0.6999 -1.1519 -0.6165 C.3 1 UNL1111111111111 0.1583 20 O -1.1770 -1.8869 -1.7169 O.3 1 UNL1111111111111 -0.5749 21 C -0.9542 -1.9260 0.7062 C.3 1 UNL1111111111111 -0.0403 22 C -2.4300 -2.2102 1.0359 C.2 1 UNL1111111111111 0.5501 23 O -2.7627 -2.5064 2.1666 O.2 1 UNL1111111111111 -0.5420 24 N -3.3363 -2.0787 0.0152 N.am 1 UNL1111111111111 -0.5786 25 C 2.4406 0.8950 -1.6100 C.2 1 UNL1111111111111 0.5302 26 O 2.8468 1.9791 -1.2477 O.2 1 UNL1111111111111 -0.5257 27 N 3.3075 -0.0315 -2.1493 N.am 1 UNL1111111111111 -0.6035 28 C 4.7346 0.2595 -2.1753 C.3 1 UNL1111111111111 0.0282 29 C 5.4469 0.0067 -0.8666 C.ar 1 UNL1111111111111 -0.0763 30 C 6.6771 -0.6364 -1.0948 C.ar 1 UNL1111111111111 -0.0167 31 C 5.0459 0.3431 0.4116 C.ar 1 UNL1111111111111 -0.1224 32 C 5.8903 0.0201 1.4804 C.ar 1 UNL1111111111111 -0.1569 33 C 7.1108 -0.6091 1.2570 C.ar 1 UNL1111111111111 -0.1355 34 C 5.4847 -0.6945 -3.1797 C.3 1 UNL1111111111111 0.1422 35 O 4.7938 -1.9151 -3.2873 O.3 1 UNL1111111111111 -0.5582 36 C 7.5185 -0.9429 -0.0411 C.ar 1 UNL1111111111111 -0.1754 37 C 6.8823 -0.9145 -2.5518 C.3 1 UNL1111111111111 -0.3531 38 C -4.7653 -2.1033 0.2696 C.3 1 UNL1111111111111 0.0208 39 C -5.3934 -0.7477 0.0379 C.ar 1 UNL1111111111111 -0.0772 40 C -6.5726 -0.8645 -0.7169 C.ar 1 UNL1111111111111 -0.0072 41 C -4.9326 0.4858 0.4578 C.ar 1 UNL1111111111111 -0.1238 42 C -5.6648 1.6245 0.1035 C.ar 1 UNL1111111111111 -0.1562 43 C -6.8340 1.5125 -0.6432 C.ar 1 UNL1111111111111 -0.1365 44 C -5.5359 -3.0402 -0.7396 C.3 1 UNL1111111111111 0.1412 45 O -4.7919 -3.2526 -1.9081 O.3 1 UNL1111111111111 -0.5420 46 C -7.3024 0.2604 -1.0591 C.ar 1 UNL1111111111111 -0.1753 47 C -6.8529 -2.2908 -1.0692 C.3 1 UNL1111111111111 -0.3559 48 H 0.6733 0.9138 1.8125 H 1 UNL1111111111111 0.1808 49 H 2.6469 2.2943 2.3653 H 1 UNL1111111111111 0.1592 50 H 4.2711 1.5242 4.0836 H 1 UNL1111111111111 0.1477 51 H 3.9388 -0.6635 5.2089 H 1 UNL1111111111111 0.1436 52 H 1.9806 -2.0678 4.6439 H 1 UNL1111111111111 0.1465 53 H -1.2938 4.8296 -2.1441 H 1 UNL1111111111111 0.1467 54 H -3.2805 5.8634 -1.0894 H 1 UNL1111111111111 0.1436 55 H -4.2198 4.9071 0.9987 H 1 UNL1111111111111 0.1453 56 H -3.1772 2.8985 2.0230 H 1 UNL1111111111111 0.1523 57 H -1.1922 1.8516 0.9712 H 1 UNL1111111111111 0.1734 58 H 1.0215 3.2877 -1.0039 H 1 UNL1111111111111 0.1718 59 H 0.0390 2.6568 -2.3820 H 1 UNL1111111111111 0.1267 60 H -0.8004 -1.4125 3.6320 H 1 UNL1111111111111 0.1639 61 H 0.2594 -2.5908 2.7860 H 1 UNL1111111111111 0.1321 62 H 0.5170 0.4424 -2.5498 H 1 UNL1111111111111 0.1497 63 H 1.2705 -0.7483 0.2307 H 1 UNL1111111111111 0.1950 64 H 1.3108 -1.6680 -1.2881 H 1 UNL1111111111111 0.1472 65 H -1.3279 -0.2237 -0.6530 H 1 UNL1111111111111 0.1850 66 H -0.7218 -2.7436 -1.8255 H 1 UNL1111111111111 0.3253 67 H -0.3828 -2.8759 0.7415 H 1 UNL1111111111111 0.1428 68 H -3.0367 -1.9320 -0.9425 H 1 UNL1111111111111 0.3394 69 H 3.0265 -0.9439 -2.4720 H 1 UNL1111111111111 0.3255 70 H 4.8880 1.3344 -2.4751 H 1 UNL1111111111111 0.1778 71 H 4.0971 0.8543 0.5883 H 1 UNL1111111111111 0.1781 72 H 5.5812 0.2662 2.4962 H 1 UNL1111111111111 0.1588 73 H 7.7588 -0.8480 2.0985 H 1 UNL1111111111111 0.1498 74 H 5.4944 -0.3146 -4.2166 H 1 UNL1111111111111 0.1500 75 H 4.9114 -2.4590 -2.4795 H 1 UNL1111111111111 0.3254 76 H 8.4734 -1.4311 -0.2092 H 1 UNL1111111111111 0.1530 77 H 7.2542 -1.9358 -2.7489 H 1 UNL1111111111111 0.1696 78 H 7.6331 -0.2309 -2.9901 H 1 UNL1111111111111 0.1702 79 H -4.9612 -2.4470 1.3233 H 1 UNL1111111111111 0.1860 80 H -4.0173 0.5728 1.0423 H 1 UNL1111111111111 0.1665 81 H -5.3071 2.6073 0.4100 H 1 UNL1111111111111 0.1569 82 H -7.3915 2.4079 -0.9115 H 1 UNL1111111111111 0.1473 83 H -5.6774 -4.0633 -0.3458 H 1 UNL1111111111111 0.1493 84 H -4.6752 -2.4215 -2.4145 H 1 UNL1111111111111 0.3195 85 H -8.2152 0.1800 -1.6412 H 1 UNL1111111111111 0.1516 86 H -7.1288 -2.4258 -2.1306 H 1 UNL1111111111111 0.1699 87 H -7.6997 -2.6920 -0.4847 H 1 UNL1111111111111 0.1672 @BOND 1 1 2 ar 2 1 6 ar 3 1 15 1 4 2 3 ar 5 2 48 1 6 3 4 ar 7 3 49 1 8 4 5 ar 9 4 50 1 10 5 6 ar 11 5 51 1 12 6 52 1 13 7 8 ar 14 7 12 ar 15 7 13 1 16 8 9 ar 17 8 53 1 18 9 10 ar 19 9 54 1 20 10 11 ar 21 10 55 1 22 11 12 ar 23 11 56 1 24 12 57 1 25 13 14 1 26 13 58 1 27 13 59 1 28 14 17 1 29 15 16 1 30 15 60 1 31 15 61 1 32 16 21 1 33 17 18 1 34 17 25 1 35 17 62 1 36 18 19 1 37 18 63 1 38 18 64 1 39 19 20 1 40 19 21 1 41 19 65 1 42 20 66 1 43 21 22 1 44 21 67 1 45 22 23 2 46 22 24 am 47 24 38 1 48 24 68 1 49 25 26 2 50 25 27 am 51 27 28 1 52 27 69 1 53 28 29 1 54 28 34 1 55 28 70 1 56 29 30 ar 57 29 31 ar 58 30 36 ar 59 30 37 1 60 31 32 ar 61 31 71 1 62 32 33 ar 63 32 72 1 64 33 36 ar 65 33 73 1 66 34 35 1 67 34 37 1 68 34 74 1 69 35 75 1 70 36 76 1 71 37 77 1 72 37 78 1 73 38 39 1 74 38 44 1 75 38 79 1 76 39 40 ar 77 39 41 ar 78 40 46 ar 79 40 47 1 80 41 42 ar 81 41 80 1 82 42 43 ar 83 42 81 1 84 43 46 ar 85 43 82 1 86 44 45 1 87 44 47 1 88 44 83 1 89 45 84 1 90 46 85 1 91 47 86 1 92 47 87 1