@MOLECULE (2s)-n-{(2s,3r)-3-hydroxy-4-[(3-isopropylbenzyl)amino]-1-phenyl-2-butanyl}-2-[(5s)-6-oxo-1-propyl-1,7-diazaspiro[4.4]non-7-yl]propanamide 88 91 0 0 0 SMALL GASTEIGER @ATOM 1 N -6.2778 -1.8306 -0.5488 N.3 1 UNL1111111111 -0.4482 2 C -5.0376 -1.0782 -0.8062 C.3 1 UNL1111111111 0.1359 3 C -4.6261 -1.4963 -2.2323 C.3 1 UNL1111111111 -0.2766 4 C -5.9612 -1.7139 -2.9619 C.3 1 UNL1111111111 -0.2816 5 C -6.9878 -2.0039 -1.8431 C.3 1 UNL1111111111 -0.0986 6 C -5.1001 0.4609 -0.6347 C.3 1 UNL1111111111 -0.3541 7 C -4.3832 0.7742 0.6950 C.3 1 UNL1111111111 -0.0935 8 N -3.7300 -0.4808 1.1354 N.am 1 UNL1111111111 -0.5089 9 C -3.9770 -1.5318 0.2217 C.2 1 UNL1111111111 0.5828 10 O -3.4667 -2.6157 0.2963 O.2 1 UNL1111111111 -0.4694 11 C -2.4123 -0.3274 1.7475 C.3 1 UNL1111111111 0.0412 12 C -1.3744 0.0456 0.6663 C.2 1 UNL1111111111 0.5365 13 N -0.2279 0.6664 1.1169 N.am 1 UNL1111111111 -0.6106 14 O -1.5393 -0.1864 -0.5127 O.2 1 UNL1111111111 -0.5324 15 C -7.1196 -1.3192 0.5459 C.3 1 UNL1111111111 -0.1058 16 C -8.0137 -2.4706 1.0480 C.3 1 UNL1111111111 -0.2583 17 C -8.7553 -2.0477 2.3131 C.3 1 UNL1111111111 -0.4407 18 C -1.9567 -1.6113 2.4423 C.3 1 UNL1111111111 -0.4532 19 C 0.7334 1.1982 0.1465 C.3 1 UNL1111111111 0.0706 20 C 2.1551 0.8344 0.6516 C.3 1 UNL1111111111 0.1195 21 C 3.2097 1.0201 -0.4613 C.3 1 UNL1111111111 -0.1852 22 N 4.5286 0.7431 0.1493 N.3 1 UNL1111111111 -0.5442 23 C 5.6434 1.1464 -0.7448 C.3 1 UNL1111111111 -0.1205 24 C 0.5676 2.7297 0.0045 C.3 1 UNL1111111111 -0.3259 25 C -0.8393 3.0924 -0.3562 C.ar 1 UNL1111111111 0.0191 26 C -1.3995 2.6456 -1.5564 C.ar 1 UNL1111111111 -0.1483 27 C -2.7124 2.9760 -1.8802 C.ar 1 UNL1111111111 -0.1390 28 C -3.4745 3.7529 -1.0083 C.ar 1 UNL1111111111 -0.1699 29 C -2.9186 4.1990 0.1885 C.ar 1 UNL1111111111 -0.1497 30 C -1.6040 3.8714 0.5143 C.ar 1 UNL1111111111 -0.1848 31 O 2.4149 1.6945 1.7407 O.3 1 UNL1111111111 -0.5774 32 C 6.9113 0.5072 -0.2441 C.ar 1 UNL1111111111 -0.0162 33 C 7.6421 1.1192 0.7729 C.ar 1 UNL1111111111 -0.1616 34 C 8.8052 0.5149 1.2459 C.ar 1 UNL1111111111 -0.1340 35 C 9.2324 -0.6968 0.7105 C.ar 1 UNL1111111111 -0.1730 36 C 8.4976 -1.3175 -0.3034 C.ar 1 UNL1111111111 0.0142 37 C 7.3362 -0.7083 -0.7809 C.ar 1 UNL1111111111 -0.2086 38 C 8.9397 -2.6370 -0.8822 C.3 1 UNL1111111111 -0.0796 39 C 10.3215 -2.4922 -1.5327 C.3 1 UNL1111111111 -0.4449 40 C 8.9595 -3.7124 0.2120 C.3 1 UNL1111111111 -0.4438 41 H -3.9804 -0.7551 -2.7228 H 1 UNL1111111111 0.1497 42 H -4.0404 -2.4382 -2.1930 H 1 UNL1111111111 0.1732 43 H -6.2478 -0.8225 -3.5407 H 1 UNL1111111111 0.1326 44 H -5.8963 -2.5495 -3.6754 H 1 UNL1111111111 0.1425 45 H -7.3334 -3.0589 -1.8769 H 1 UNL1111111111 0.1438 46 H -7.8794 -1.3573 -1.9382 H 1 UNL1111111111 0.1120 47 H -4.5876 0.9674 -1.4723 H 1 UNL1111111111 0.1618 48 H -6.1334 0.8340 -0.6441 H 1 UNL1111111111 0.1524 49 H -3.6557 1.6036 0.5630 H 1 UNL1111111111 0.1482 50 H -5.1020 1.0793 1.4847 H 1 UNL1111111111 0.1419 51 H -2.4879 0.5023 2.5028 H 1 UNL1111111111 0.1497 52 H -0.0866 0.9381 2.0761 H 1 UNL1111111111 0.3215 53 H -6.4550 -0.9851 1.3767 H 1 UNL1111111111 0.1525 54 H -7.7419 -0.4480 0.2547 H 1 UNL1111111111 0.1083 55 H -8.7257 -2.7756 0.2615 H 1 UNL1111111111 0.1322 56 H -7.3825 -3.3618 1.2438 H 1 UNL1111111111 0.1606 57 H -8.0574 -1.8027 3.1225 H 1 UNL1111111111 0.1453 58 H -9.3845 -1.1688 2.1387 H 1 UNL1111111111 0.1366 59 H -9.4055 -2.8517 2.6760 H 1 UNL1111111111 0.1411 60 H -1.0835 -1.4399 3.0769 H 1 UNL1111111111 0.1429 61 H -2.7643 -2.0279 3.0609 H 1 UNL1111111111 0.1728 62 H -1.7019 -2.4003 1.7138 H 1 UNL1111111111 0.1895 63 H 0.5543 0.7048 -0.8497 H 1 UNL1111111111 0.1714 64 H 2.1741 -0.2063 1.0522 H 1 UNL1111111111 0.1368 65 H 2.9752 0.3734 -1.3312 H 1 UNL1111111111 0.1293 66 H 3.1980 2.0728 -0.8207 H 1 UNL1111111111 0.1551 67 H 4.6147 -0.2406 0.4089 H 1 UNL1111111111 0.2636 68 H 5.4616 0.8804 -1.8101 H 1 UNL1111111111 0.1266 69 H 5.7173 2.2587 -0.7074 H 1 UNL1111111111 0.1526 70 H 0.8825 3.2215 0.9515 H 1 UNL1111111111 0.1772 71 H 1.2697 3.1133 -0.7618 H 1 UNL1111111111 0.1545 72 H -0.8182 2.0169 -2.2293 H 1 UNL1111111111 0.1596 73 H -3.1436 2.6237 -2.8154 H 1 UNL1111111111 0.1490 74 H -4.4987 4.0129 -1.2639 H 1 UNL1111111111 0.1480 75 H -3.5097 4.8073 0.8694 H 1 UNL1111111111 0.1463 76 H -1.1749 4.2241 1.4493 H 1 UNL1111111111 0.1510 77 H 3.3905 1.7902 1.8578 H 1 UNL1111111111 0.3505 78 H 7.2992 2.0590 1.2014 H 1 UNL1111111111 0.1587 79 H 9.3796 0.9913 2.0385 H 1 UNL1111111111 0.1505 80 H 10.1411 -1.1640 1.0848 H 1 UNL1111111111 0.1541 81 H 6.7604 -1.1824 -1.5724 H 1 UNL1111111111 0.1520 82 H 8.2157 -2.9606 -1.6738 H 1 UNL1111111111 0.1390 83 H 10.3204 -1.6979 -2.2883 H 1 UNL1111111111 0.1478 84 H 11.0924 -2.2415 -0.7962 H 1 UNL1111111111 0.1468 85 H 10.6252 -3.4218 -2.0256 H 1 UNL1111111111 0.1459 86 H 7.9821 -3.7957 0.7015 H 1 UNL1111111111 0.1485 87 H 9.2092 -4.6942 -0.2044 H 1 UNL1111111111 0.1459 88 H 9.6970 -3.4873 0.9900 H 1 UNL1111111111 0.1469 @BOND 1 1 15 1 2 2 1 1 3 2 6 1 4 3 4 1 5 3 2 1 6 3 41 1 7 3 42 1 8 4 5 1 9 4 43 1 10 4 44 1 11 5 1 1 12 5 45 1 13 5 46 1 14 6 47 1 15 6 48 1 16 7 6 1 17 7 49 1 18 7 50 1 19 8 7 1 20 9 2 1 21 9 8 am 22 10 9 2 23 11 8 1 24 11 12 1 25 11 51 1 26 12 14 2 27 12 13 am 28 13 19 1 29 13 52 1 30 15 53 1 31 15 54 1 32 16 15 1 33 16 17 1 34 16 55 1 35 16 56 1 36 17 57 1 37 17 58 1 38 17 59 1 39 18 11 1 40 18 60 1 41 18 61 1 42 18 62 1 43 19 24 1 44 19 63 1 45 20 19 1 46 20 31 1 47 20 64 1 48 21 20 1 49 21 65 1 50 21 66 1 51 22 21 1 52 22 67 1 53 23 22 1 54 23 32 1 55 23 68 1 56 23 69 1 57 24 25 1 58 24 70 1 59 24 71 1 60 25 30 ar 61 25 26 ar 62 26 27 ar 63 26 72 1 64 27 28 ar 65 27 73 1 66 28 74 1 67 29 28 ar 68 29 75 1 69 30 29 ar 70 30 76 1 71 31 77 1 72 32 37 ar 73 33 32 ar 74 33 34 ar 75 33 78 1 76 34 35 ar 77 34 79 1 78 35 36 ar 79 35 80 1 80 36 38 1 81 37 36 ar 82 37 81 1 83 38 40 1 84 38 39 1 85 38 82 1 86 39 83 1 87 39 84 1 88 39 85 1 89 40 86 1 90 40 87 1 91 40 88 1