@MOLECULE (2r,6r)-2,6-dibenzyl-4-hydroxy-n,n'-bis[(1s,2r)-2-hydroxy-2,3-dihydro-1h-inden-1-yl]heptanediamide 88 93 0 0 0 SMALL GASTEIGER @ATOM 1 C 0.0597 -0.2725 0.3022 C.3 1 UNL1111111111 0.1720 2 O 0.5699 -0.9903 1.4057 O.3 1 UNL1111111111 -0.5685 3 C -1.1663 0.5510 0.7143 C.3 1 UNL1111111111 -0.3370 4 C 1.1596 0.6284 -0.2774 C.3 1 UNL1111111111 -0.3338 5 C 2.3829 -0.2077 -0.6683 C.3 1 UNL1111111111 -0.1728 6 C -2.4259 -0.3193 0.7971 C.3 1 UNL1111111111 -0.1665 7 C 2.1715 -0.9486 -2.0015 C.3 1 UNL1111111111 -0.2922 8 C 3.5611 0.7406 -0.8507 C.2 1 UNL1111111111 0.5734 9 O 3.5093 1.7389 -1.5414 O.2 1 UNL1111111111 -0.5472 10 C 3.3393 -1.8405 -2.2916 C.ar 1 UNL1111111111 0.0011 11 N 4.7159 0.3919 -0.1860 N.am 1 UNL1111111111 -0.5985 12 C 5.9197 1.2049 -0.2981 C.3 1 UNL1111111111 0.0209 13 C 7.1666 0.2983 -0.6537 C.3 1 UNL1111111111 0.1377 14 O 6.8205 -1.0631 -0.6957 O.3 1 UNL1111111111 -0.5642 15 C 6.2813 1.8211 1.0310 C.ar 1 UNL1111111111 -0.0747 16 C 7.5311 1.3715 1.4843 C.ar 1 UNL1111111111 0.0152 17 C 8.1660 0.4227 0.5216 C.3 1 UNL1111111111 -0.3153 18 C -3.6092 0.6120 1.0412 C.2 1 UNL1111111111 0.5740 19 C -2.3618 -1.3177 1.9654 C.3 1 UNL1111111111 -0.3001 20 C -3.5841 -2.1812 1.9880 C.ar 1 UNL1111111111 0.0047 21 O -3.6215 1.4557 1.9137 O.2 1 UNL1111111111 -0.5436 22 C 8.0353 1.8024 2.7001 C.ar 1 UNL1111111111 -0.1824 23 C 7.2766 2.7014 3.4575 C.ar 1 UNL1111111111 -0.1310 24 C 6.0420 3.1552 2.9998 C.ar 1 UNL1111111111 -0.1683 25 C 5.5310 2.7135 1.7745 C.ar 1 UNL1111111111 -0.1263 26 C -3.7547 -3.1801 1.0264 C.ar 1 UNL1111111111 -0.1806 27 C -4.9078 -3.9610 1.0292 C.ar 1 UNL1111111111 -0.1322 28 C -5.8907 -3.7547 1.9962 C.ar 1 UNL1111111111 -0.1606 29 C -5.7169 -2.7662 2.9634 C.ar 1 UNL1111111111 -0.1525 30 C -4.5677 -1.9786 2.9583 C.ar 1 UNL1111111111 -0.1793 31 C 3.5059 -3.0300 -1.5779 C.ar 1 UNL1111111111 -0.1759 32 C 4.6110 -3.8401 -1.8228 C.ar 1 UNL1111111111 -0.1329 33 C 5.5503 -3.4702 -2.7847 C.ar 1 UNL1111111111 -0.1570 34 C 5.3802 -2.2893 -3.5050 C.ar 1 UNL1111111111 -0.1556 35 C 4.2774 -1.4742 -3.2585 C.ar 1 UNL1111111111 -0.1785 36 C -8.1227 0.7099 -0.6695 C.3 1 UNL1111111111 -0.3151 37 C -7.1613 0.3542 0.4900 C.3 1 UNL1111111111 0.1368 38 O -6.8493 -1.0030 0.2970 O.3 1 UNL1111111111 -0.5654 39 C -5.8787 1.2648 0.3215 C.3 1 UNL1111111111 0.0202 40 C -6.1424 2.0389 -0.9463 C.ar 1 UNL1111111111 -0.0747 41 C -7.3970 1.7237 -1.4915 C.ar 1 UNL1111111111 0.0160 42 C -5.3059 2.9524 -1.5618 C.ar 1 UNL1111111111 -0.1282 43 C -5.7371 3.5586 -2.7468 C.ar 1 UNL1111111111 -0.1681 44 C -6.9813 3.2473 -3.2897 C.ar 1 UNL1111111111 -0.1312 45 C -7.8255 2.3237 -2.6638 C.ar 1 UNL1111111111 -0.1820 46 N -4.6810 0.4461 0.1911 N.am 1 UNL1111111111 -0.5988 47 H -0.2067 -1.0966 -0.3996 H 1 UNL1111111111 0.1429 48 H 0.7998 -0.3969 2.1463 H 1 UNL1111111111 0.3191 49 H -0.9913 1.0516 1.6893 H 1 UNL1111111111 0.1691 50 H -1.3338 1.3796 -0.0030 H 1 UNL1111111111 0.1608 51 H 0.7879 1.1944 -1.1545 H 1 UNL1111111111 0.1676 52 H 1.4487 1.4030 0.4603 H 1 UNL1111111111 0.1571 53 H 2.5831 -0.9583 0.1394 H 1 UNL1111111111 0.1743 54 H -2.5496 -0.8832 -0.1589 H 1 UNL1111111111 0.1523 55 H 1.2346 -1.5418 -1.9600 H 1 UNL1111111111 0.1594 56 H 2.0157 -0.2102 -2.8175 H 1 UNL1111111111 0.1677 57 H 4.7861 -0.4314 0.3964 H 1 UNL1111111111 0.3281 58 H 5.7754 1.9963 -1.0815 H 1 UNL1111111111 0.1825 59 H 7.6051 0.5873 -1.6271 H 1 UNL1111111111 0.1214 60 H 6.1782 -1.2480 -1.4191 H 1 UNL1111111111 0.3327 61 H 8.3312 -0.5756 0.9813 H 1 UNL1111111111 0.1844 62 H 9.1556 0.7691 0.1799 H 1 UNL1111111111 0.1592 63 H -1.4430 -1.9419 1.8755 H 1 UNL1111111111 0.1863 64 H -2.2366 -0.7686 2.9227 H 1 UNL1111111111 0.1669 65 H 8.9963 1.4524 3.0626 H 1 UNL1111111111 0.1542 66 H 7.6591 3.0489 4.4158 H 1 UNL1111111111 0.1475 67 H 5.4671 3.8593 3.5981 H 1 UNL1111111111 0.1504 68 H 4.5660 3.0648 1.4149 H 1 UNL1111111111 0.1602 69 H -2.9845 -3.3512 0.2773 H 1 UNL1111111111 0.1545 70 H -5.0427 -4.7341 0.2748 H 1 UNL1111111111 0.1517 71 H -6.7908 -4.3660 1.9963 H 1 UNL1111111111 0.1530 72 H -6.4780 -2.6114 3.7261 H 1 UNL1111111111 0.1524 73 H -4.4374 -1.2015 3.7110 H 1 UNL1111111111 0.1632 74 H 2.7717 -3.3216 -0.8280 H 1 UNL1111111111 0.1592 75 H 4.7435 -4.7636 -1.2613 H 1 UNL1111111111 0.1528 76 H 6.4147 -4.1038 -2.9730 H 1 UNL1111111111 0.1527 77 H 6.1068 -2.0082 -4.2643 H 1 UNL1111111111 0.1522 78 H 4.1517 -0.5480 -3.8179 H 1 UNL1111111111 0.1624 79 H -8.3552 -0.2039 -1.2579 H 1 UNL1111111111 0.1841 80 H -9.0894 1.0877 -0.2957 H 1 UNL1111111111 0.1598 81 H -7.6169 0.4840 1.4883 H 1 UNL1111111111 0.1218 82 H -6.2873 -1.3501 1.0273 H 1 UNL1111111111 0.3326 83 H -5.7767 1.9590 1.1988 H 1 UNL1111111111 0.1840 84 H -4.3349 3.1940 -1.1348 H 1 UNL1111111111 0.1596 85 H -5.0932 4.2795 -3.2457 H 1 UNL1111111111 0.1506 86 H -7.3036 3.7266 -4.2125 H 1 UNL1111111111 0.1478 87 H -8.7930 2.0822 -3.0935 H 1 UNL1111111111 0.1544 88 H -4.7123 -0.2699 -0.5214 H 1 UNL1111111111 0.3264 @BOND 1 1 2 1 2 1 3 1 3 1 4 1 4 1 47 1 5 2 48 1 6 3 6 1 7 3 49 1 8 3 50 1 9 4 5 1 10 4 51 1 11 4 52 1 12 5 7 1 13 5 8 1 14 5 53 1 15 6 18 1 16 6 19 1 17 6 54 1 18 7 10 1 19 7 55 1 20 7 56 1 21 8 9 2 22 8 11 am 23 10 31 ar 24 10 35 ar 25 11 12 1 26 11 57 1 27 12 13 1 28 12 15 1 29 12 58 1 30 13 14 1 31 13 17 1 32 13 59 1 33 14 60 1 34 15 16 ar 35 15 25 ar 36 16 17 1 37 16 22 ar 38 17 61 1 39 17 62 1 40 18 21 2 41 18 46 am 42 19 20 1 43 19 63 1 44 19 64 1 45 20 26 ar 46 20 30 ar 47 22 23 ar 48 22 65 1 49 23 24 ar 50 23 66 1 51 24 25 ar 52 24 67 1 53 25 68 1 54 26 27 ar 55 26 69 1 56 27 28 ar 57 27 70 1 58 28 29 ar 59 28 71 1 60 29 30 ar 61 29 72 1 62 30 73 1 63 31 32 ar 64 31 74 1 65 32 33 ar 66 32 75 1 67 33 34 ar 68 33 76 1 69 34 35 ar 70 34 77 1 71 35 78 1 72 36 37 1 73 36 41 1 74 36 79 1 75 36 80 1 76 37 38 1 77 37 39 1 78 37 81 1 79 38 82 1 80 39 40 1 81 39 46 1 82 39 83 1 83 40 41 ar 84 40 42 ar 85 41 45 ar 86 42 43 ar 87 42 84 1 88 43 44 ar 89 43 85 1 90 44 45 ar 91 44 86 1 92 45 87 1 93 46 88 1