@MOLECULE n~1~,n~1~-dibutyl-n~3~-{(2s,3r)-3-hydroxy-4-[(3-methoxybenzyl)amino]-1-phenyl-2-butanyl}-1h-indole-1,3-dicarboxamide 90 93 0 0 0 SMALL GASTEIGER @ATOM 1 C 2.5972 4.3270 -1.5043 C.ar 1 UNL1111111111 -0.1606 2 C 5.0614 3.1003 1.3104 C.ar 1 UNL1111111111 -0.1863 3 C 2.3410 3.1729 -2.2405 C.ar 1 UNL1111111111 -0.1430 4 C 1.6084 4.8534 -0.6740 C.ar 1 UNL1111111111 -0.1381 5 C 6.0450 2.0903 1.2702 C.ar 1 UNL1111111111 -0.1099 6 C -8.9311 -0.6672 1.9109 C.ar 1 UNL1111111111 -0.0645 7 C 3.7142 2.7925 1.3837 C.ar 1 UNL1111111111 -0.0912 8 C 1.1033 2.5405 -2.1440 C.ar 1 UNL1111111111 -0.1824 9 C 0.3698 4.2254 -0.5763 C.ar 1 UNL1111111111 -0.1584 10 C -7.9173 0.2296 1.5920 C.ar 1 UNL1111111111 -0.2536 11 C 5.7092 0.7480 1.2993 C.ar 1 UNL1111111111 -0.2132 12 C -9.4521 -1.5283 0.9448 C.ar 1 UNL1111111111 -0.3049 13 C -7.9041 -0.5752 -0.6902 C.ar 1 UNL1111111111 -0.2550 14 C 2.3135 -0.5919 1.4263 C.ar 1 UNL1111111111 0.0396 15 C 3.3397 1.4470 1.4029 C.ar 1 UNL1111111111 -0.0300 16 C 2.0703 0.7700 1.4387 C.ar 1 UNL1111111111 -0.2445 17 C 0.1145 3.0619 -1.3068 C.ar 1 UNL1111111111 0.0231 18 C -7.4076 0.2734 0.2885 C.ar 1 UNL1111111111 0.0453 19 C 4.3473 0.4350 1.3598 C.ar 1 UNL1111111111 0.1253 20 C -8.9297 -1.4714 -0.3463 C.ar 1 UNL1111111111 0.2600 21 C 0.7924 1.4818 1.4300 C.2 1 UNL1111111111 0.6260 22 C 4.3474 -2.0843 1.2279 C.2 1 UNL1111111111 0.6992 23 C 3.6648 -7.6260 -0.3973 C.3 1 UNL1111111111 -0.4375 24 C 5.1571 0.8950 -3.3303 C.3 1 UNL1111111111 -0.4389 25 C -10.3538 -3.1886 -1.1584 C.3 1 UNL1111111111 -0.2035 26 C -1.2014 2.3607 -1.1704 C.3 1 UNL1111111111 -0.3324 27 C -6.3004 1.2395 -0.0453 C.3 1 UNL1111111111 -0.1247 28 C 4.6432 -6.4529 -0.4456 C.3 1 UNL1111111111 -0.2513 29 C 4.1267 -0.1078 -2.8121 C.3 1 UNL1111111111 -0.2435 30 C 3.9116 -5.1279 -0.2058 C.3 1 UNL1111111111 -0.2915 31 C 4.7692 -1.0511 -1.7902 C.3 1 UNL1111111111 -0.3113 32 C 4.9180 -3.9635 -0.2176 C.3 1 UNL1111111111 -0.0653 33 C 3.7087 -1.9927 -1.1919 C.3 1 UNL1111111111 -0.0589 34 C -3.9010 1.5890 0.3180 C.3 1 UNL1111111111 -0.1888 35 C -1.3512 1.7357 0.2404 C.3 1 UNL1111111111 0.0718 36 C -2.5795 0.7887 0.3017 C.3 1 UNL1111111111 0.1212 37 N 3.6936 -0.8079 1.3770 N.ar 1 UNL1111111111 -0.3790 38 N -0.1716 0.9407 0.5839 N.am 1 UNL1111111111 -0.6047 39 N -4.9996 0.5991 0.2717 N.3 1 UNL1111111111 -0.5406 40 N 4.2096 -2.6901 -0.0003 N.am 1 UNL1111111111 -0.5002 41 O 0.5528 2.4771 2.0835 O.2 1 UNL1111111111 -0.5259 42 O 4.9391 -2.5760 2.1594 O.2 1 UNL1111111111 -0.4661 43 O -2.5065 -0.0285 -0.8477 O.3 1 UNL1111111111 -0.5783 44 O -9.3235 -2.2399 -1.3957 O.3 1 UNL1111111111 -0.3141 45 H 3.5674 4.8127 -1.5726 H 1 UNL1111111111 0.1479 46 H 5.3779 4.1407 1.2908 H 1 UNL1111111111 0.1508 47 H 3.1130 2.7603 -2.8872 H 1 UNL1111111111 0.1478 48 H 1.8065 5.7523 -0.0940 H 1 UNL1111111111 0.1476 49 H 7.0934 2.3815 1.2220 H 1 UNL1111111111 0.1474 50 H -9.3262 -0.6999 2.9265 H 1 UNL1111111111 0.1500 51 H 2.9447 3.5653 1.4280 H 1 UNL1111111111 0.1748 52 H 0.9108 1.6370 -2.7173 H 1 UNL1111111111 0.1476 53 H -0.3904 4.6270 0.0910 H 1 UNL1111111111 0.1548 54 H -7.5242 0.8971 2.3531 H 1 UNL1111111111 0.1554 55 H 6.4639 -0.0314 1.2947 H 1 UNL1111111111 0.1622 56 H -10.2435 -2.2205 1.2071 H 1 UNL1111111111 0.1635 57 H -7.5106 -0.5689 -1.7040 H 1 UNL1111111111 0.1787 58 H 1.6216 -1.4164 1.4754 H 1 UNL1111111111 0.1786 59 H 2.8738 -7.5231 -1.1483 H 1 UNL1111111111 0.1418 60 H 4.1751 -8.5772 -0.5858 H 1 UNL1111111111 0.1418 61 H 3.1804 -7.7030 0.5833 H 1 UNL1111111111 0.1469 62 H 6.0275 0.3924 -3.7655 H 1 UNL1111111111 0.1407 63 H 4.7309 1.5413 -4.1054 H 1 UNL1111111111 0.1417 64 H 5.5219 1.5433 -2.5231 H 1 UNL1111111111 0.1510 65 H -10.4580 -3.6663 -2.1426 H 1 UNL1111111111 0.1542 66 H -10.0460 -3.9230 -0.4078 H 1 UNL1111111111 0.1351 67 H -11.2857 -2.6905 -0.8743 H 1 UNL1111111111 0.1343 68 H -2.0363 3.0624 -1.3579 H 1 UNL1111111111 0.1494 69 H -1.3152 1.5661 -1.9400 H 1 UNL1111111111 0.1765 70 H -6.2960 1.4823 -1.1346 H 1 UNL1111111111 0.1558 71 H -6.4529 2.2031 0.4913 H 1 UNL1111111111 0.1293 72 H 5.4343 -6.5944 0.3170 H 1 UNL1111111111 0.1407 73 H 5.1617 -6.4339 -1.4227 H 1 UNL1111111111 0.1321 74 H 3.2799 0.4377 -2.3466 H 1 UNL1111111111 0.1453 75 H 3.6981 -0.6842 -3.6526 H 1 UNL1111111111 0.1326 76 H 3.1295 -4.9742 -0.9708 H 1 UNL1111111111 0.1422 77 H 3.3798 -5.1539 0.7658 H 1 UNL1111111111 0.1572 78 H 5.5845 -1.6315 -2.2563 H 1 UNL1111111111 0.1401 79 H 5.2492 -0.4535 -0.9885 H 1 UNL1111111111 0.1600 80 H 5.6840 -4.1169 0.5816 H 1 UNL1111111111 0.1678 81 H 5.4685 -3.9254 -1.1827 H 1 UNL1111111111 0.1369 82 H 2.7880 -1.4211 -0.9306 H 1 UNL1111111111 0.1546 83 H 3.3952 -2.7525 -1.9431 H 1 UNL1111111111 0.1454 84 H -3.9405 2.2592 1.2002 H 1 UNL1111111111 0.1279 85 H -3.9599 2.2325 -0.5874 H 1 UNL1111111111 0.1552 86 H -1.4728 2.5545 1.0029 H 1 UNL1111111111 0.1704 87 H -2.5069 0.1110 1.1839 H 1 UNL1111111111 0.1378 88 H 0.0541 0.1916 -0.0525 H 1 UNL1111111111 0.3158 89 H -5.0584 0.0720 1.1438 H 1 UNL1111111111 0.2631 90 H -3.4068 -0.3724 -1.0621 H 1 UNL1111111111 0.3496 @BOND 1 1 4 ar 2 1 45 1 3 2 5 ar 4 2 46 1 5 3 1 ar 6 3 47 1 7 4 48 1 8 5 11 ar 9 5 49 1 10 6 10 ar 11 6 50 1 12 7 2 ar 13 7 15 ar 14 7 51 1 15 8 3 ar 16 8 17 ar 17 8 52 1 18 9 4 ar 19 9 53 1 20 10 18 ar 21 10 54 1 22 11 55 1 23 12 6 ar 24 12 20 ar 25 12 56 1 26 13 18 ar 27 13 57 1 28 14 37 ar 29 14 58 1 30 15 19 ar 31 16 14 ar 32 16 15 ar 33 17 9 ar 34 18 27 1 35 19 11 ar 36 19 37 ar 37 20 13 ar 38 21 16 1 39 21 38 am 40 22 40 am 41 22 42 2 42 23 59 1 43 23 60 1 44 23 61 1 45 24 62 1 46 24 63 1 47 24 64 1 48 25 44 1 49 25 65 1 50 25 66 1 51 25 67 1 52 26 17 1 53 26 68 1 54 26 69 1 55 27 39 1 56 27 70 1 57 27 71 1 58 28 23 1 59 28 30 1 60 28 72 1 61 28 73 1 62 29 24 1 63 29 31 1 64 29 74 1 65 29 75 1 66 30 76 1 67 30 77 1 68 31 33 1 69 31 78 1 70 31 79 1 71 32 30 1 72 32 40 1 73 32 80 1 74 32 81 1 75 33 82 1 76 33 83 1 77 34 36 1 78 34 84 1 79 34 85 1 80 35 26 1 81 35 38 1 82 35 86 1 83 36 35 1 84 36 87 1 85 37 22 am 86 38 88 1 87 39 34 1 88 39 89 1 89 40 33 1 90 41 21 2 91 43 36 1 92 43 90 1 93 44 20 1