@MOLECULE (3r)-3-{[(2s)-3-(1h-indol-3-yl)-1-oxo-1-{[(1s)-1-phenylethyl]amino}-2-propanyl]carbamoyl}-5-methylhexanoic acid 67 69 0 0 0 SMALL GASTEIGER @ATOM 1 O -0.6847 -1.6630 -1.8175 O.2 1 UNL1111111111 -0.5382 2 O 1.9563 -0.9176 0.9680 O.2 1 UNL1111111111 -0.5190 3 O -5.6901 -0.3794 -0.0120 O.3 1 UNL1111111111 -0.5652 4 O -4.7578 -1.7930 1.4421 O.2 1 UNL1111111111 -0.5100 5 N -0.5389 -0.3169 -0.0114 N.am 1 UNL1111111111 -0.5912 6 N 2.9200 -0.3479 -1.0068 N.am 1 UNL1111111111 -0.6180 7 N -1.8327 3.9844 -1.6748 N.ar 1 UNL1111111111 -0.3777 8 C -2.3565 -1.9300 -0.0697 C.3 1 UNL1111111111 -0.1693 9 C -2.5629 -3.3980 -0.4522 C.3 1 UNL1111111111 -0.2817 10 C -1.3806 -4.2876 -0.0232 C.3 1 UNL1111111111 -0.0600 11 C 0.6089 0.3915 -0.5554 C.3 1 UNL1111111111 0.0258 12 C 0.6814 1.8326 -0.0004 C.3 1 UNL1111111111 -0.2752 13 C -1.1150 -1.3500 -0.7274 C.2 1 UNL1111111111 0.5839 14 C -3.5307 -1.0618 -0.5368 C.3 1 UNL1111111111 -0.3624 15 C -0.4791 2.6288 -0.4468 C.ar 1 UNL1111111111 -0.0983 16 C -1.6861 -5.7347 -0.4338 C.3 1 UNL1111111111 -0.4549 17 C -1.1261 -4.2219 1.4859 C.3 1 UNL1111111111 -0.4572 18 C 1.8792 -0.3614 -0.1047 C.2 1 UNL1111111111 0.5484 19 C -1.7273 2.7645 0.2561 C.ar 1 UNL1111111111 -0.0740 20 C -2.5576 3.6165 -0.5415 C.ar 1 UNL1111111111 0.0998 21 C -0.5740 3.3782 -1.6096 C.ar 1 UNL1111111111 -0.0459 22 C 4.1738 -1.0585 -0.7110 C.3 1 UNL1111111111 0.1075 23 C -4.6671 -1.1622 0.4231 C.2 1 UNL1111111111 0.6535 24 C -2.2217 2.2681 1.4685 C.ar 1 UNL1111111111 -0.1159 25 C 5.1614 -0.1775 0.0309 C.ar 1 UNL1111111111 -0.0266 26 C -3.8587 3.9626 -0.1486 C.ar 1 UNL1111111111 -0.2120 27 C 4.8057 -1.5443 -2.0240 C.3 1 UNL1111111111 -0.4747 28 C -3.5073 2.6057 1.8447 C.ar 1 UNL1111111111 -0.1900 29 C -4.3187 3.4427 1.0460 C.ar 1 UNL1111111111 -0.1104 30 C 6.0475 -0.7694 0.9360 C.ar 1 UNL1111111111 -0.1652 31 C 5.2035 1.2002 -0.1778 C.ar 1 UNL1111111111 -0.1595 32 C 6.9614 0.0157 1.6359 C.ar 1 UNL1111111111 -0.1360 33 C 6.1118 1.9851 0.5290 C.ar 1 UNL1111111111 -0.1458 34 C 6.9853 1.3960 1.4400 C.ar 1 UNL1111111111 -0.1579 35 H -2.2686 -1.8749 1.0484 H 1 UNL1111111111 0.1791 36 H -2.7016 -3.4848 -1.5489 H 1 UNL1111111111 0.1515 37 H -3.4995 -3.7670 0.0138 H 1 UNL1111111111 0.1528 38 H -0.4635 -3.9399 -0.5624 H 1 UNL1111111111 0.1455 39 H 0.5252 0.4053 -1.6760 H 1 UNL1111111111 0.1760 40 H 1.6338 2.3047 -0.3235 H 1 UNL1111111111 0.1588 41 H 0.7357 1.8090 1.1122 H 1 UNL1111111111 0.1726 42 H -3.8627 -1.3488 -1.5597 H 1 UNL1111111111 0.1960 43 H -3.2326 0.0109 -0.6447 H 1 UNL1111111111 0.1995 44 H -0.7885 -0.1077 0.9434 H 1 UNL1111111111 0.3225 45 H -2.5654 -6.1177 0.0949 H 1 UNL1111111111 0.1437 46 H -1.8776 -5.8127 -1.5080 H 1 UNL1111111111 0.1412 47 H -0.8456 -6.3963 -0.1997 H 1 UNL1111111111 0.1419 48 H -2.0410 -4.4179 2.0565 H 1 UNL1111111111 0.1484 49 H -0.7389 -3.2448 1.7944 H 1 UNL1111111111 0.1451 50 H -0.3803 -4.9624 1.7920 H 1 UNL1111111111 0.1440 51 H 0.1504 3.5280 -2.3877 H 1 UNL1111111111 0.1651 52 H 3.9147 -1.9480 -0.0621 H 1 UNL1111111111 0.1731 53 H 2.8440 0.0936 -1.9060 H 1 UNL1111111111 0.3113 54 H -2.1578 4.5721 -2.4046 H 1 UNL1111111111 0.3126 55 H -1.5979 1.6415 2.1030 H 1 UNL1111111111 0.1528 56 H -4.4762 4.6122 -0.7580 H 1 UNL1111111111 0.1563 57 H 4.1126 -2.1784 -2.5915 H 1 UNL1111111111 0.1634 58 H 5.7051 -2.1410 -1.8224 H 1 UNL1111111111 0.1605 59 H 5.1108 -0.7119 -2.6671 H 1 UNL1111111111 0.1516 60 H -3.9164 2.2249 2.7785 H 1 UNL1111111111 0.1553 61 H -5.3252 3.6799 1.3907 H 1 UNL1111111111 0.1507 62 H 6.0204 -1.8448 1.1015 H 1 UNL1111111111 0.1539 63 H 4.5268 1.6695 -0.8873 H 1 UNL1111111111 0.1489 64 H -6.4680 -0.3702 0.5921 H 1 UNL1111111111 0.3525 65 H 7.6548 -0.4435 2.3388 H 1 UNL1111111111 0.1506 66 H 6.1383 3.0611 0.3698 H 1 UNL1111111111 0.1467 67 H 7.6834 2.0145 1.9991 H 1 UNL1111111111 0.1490 @BOND 1 1 13 2 2 2 18 2 3 3 23 1 4 3 64 1 5 4 23 2 6 5 11 1 7 5 13 am 8 5 44 1 9 6 18 am 10 6 22 1 11 6 53 1 12 7 20 ar 13 7 21 ar 14 7 54 1 15 8 9 1 16 8 13 1 17 8 14 1 18 8 35 1 19 9 10 1 20 9 36 1 21 9 37 1 22 10 16 1 23 10 17 1 24 10 38 1 25 11 12 1 26 11 18 1 27 11 39 1 28 12 15 1 29 12 40 1 30 12 41 1 31 14 23 1 32 14 42 1 33 14 43 1 34 15 19 ar 35 15 21 ar 36 16 45 1 37 16 46 1 38 16 47 1 39 17 48 1 40 17 49 1 41 17 50 1 42 19 20 ar 43 19 24 ar 44 20 26 ar 45 21 51 1 46 22 25 1 47 22 27 1 48 22 52 1 49 24 28 ar 50 24 55 1 51 25 30 ar 52 25 31 ar 53 26 29 ar 54 26 56 1 55 27 57 1 56 27 58 1 57 27 59 1 58 28 29 ar 59 28 60 1 60 29 61 1 61 30 32 ar 62 30 62 1 63 31 33 ar 64 31 63 1 65 32 34 ar 66 32 65 1 67 33 34 ar 68 33 66 1 69 34 67 1