@MOLECULE n-[(2s,3r)-4-(cyclohexylamino)-3-hydroxy-1-phenyl-2-butanyl]-3-(ethylamino)-5-(2-oxo-1-pyrrolidinyl)benzamide 76 79 0 0 0 SMALL GASTEIGER @ATOM 1 C -3.4085 -1.0145 0.1780 C.ar 1 UNL1111 0.3007 2 C -2.4687 -0.0263 -0.1668 C.ar 1 UNL1111 -0.3374 3 C -1.1804 -0.4208 -0.5017 C.ar 1 UNL1111 0.0103 4 C -0.7824 -1.7484 -0.5098 C.ar 1 UNL1111 -0.3064 5 C -1.7255 -2.7407 -0.1641 C.ar 1 UNL1111 0.3047 6 C -3.0260 -2.3719 0.1854 C.ar 1 UNL1111 -0.3692 7 C -0.1892 0.6283 -0.8807 C.2 1 UNL1111 0.5834 8 N 0.0174 1.6034 0.0795 N.am 1 UNL1111 -0.6013 9 O 0.4180 0.6462 -1.9321 O.2 1 UNL1111 -0.5283 10 C 0.7745 2.8104 -0.2562 C.3 1 UNL1111 0.0441 11 C 0.0088 4.0709 0.2069 C.3 1 UNL1111 -0.3270 12 C 2.1588 2.7503 0.4532 C.3 1 UNL1111 0.1167 13 O 2.7731 4.0157 0.3605 O.3 1 UNL1111 -0.5627 14 C -1.4470 4.0011 -0.1358 C.ar 1 UNL1111 0.0236 15 C 3.0542 1.6728 -0.1805 C.3 1 UNL1111 -0.1675 16 C -2.4045 4.2064 0.8601 C.ar 1 UNL1111 -0.1900 17 C -3.7611 4.1191 0.5551 C.ar 1 UNL1111 -0.1392 18 C -4.1693 3.8165 -0.7421 C.ar 1 UNL1111 -0.1742 19 C -3.2156 3.6155 -1.7390 C.ar 1 UNL1111 -0.1292 20 C -1.8598 3.7165 -1.4403 C.ar 1 UNL1111 -0.1717 21 N -4.7422 -0.7134 0.4418 N.pl3 1 UNL1111 -0.5144 22 C -5.1295 0.6496 0.8246 C.3 1 UNL1111 -0.0588 23 C -4.6324 1.0421 2.2208 C.3 1 UNL1111 -0.4804 24 N -1.3376 -4.0902 -0.1722 N.am 1 UNL1111 -0.4863 25 C -2.1036 -5.1930 0.2186 C.2 1 UNL1111 0.6036 26 C -1.3091 -6.4652 0.0012 C.3 1 UNL1111 -0.3554 27 C 0.0425 -6.0342 -0.5799 C.3 1 UNL1111 -0.2848 28 C 0.0027 -4.4891 -0.6549 C.3 1 UNL1111 -0.0664 29 O -3.2202 -5.1324 0.6679 O.2 1 UNL1111 -0.5040 30 N 4.1735 1.3974 0.7448 N.3 1 UNL1111 -0.5752 31 C 5.1708 0.4694 0.1528 C.3 1 UNL1111 0.0683 32 C 4.5712 -0.9580 0.1577 C.3 1 UNL1111 -0.2869 33 C 5.6622 -2.0306 0.2773 C.3 1 UNL1111 -0.2647 34 C 6.9690 -1.5653 -0.3740 C.3 1 UNL1111 -0.2666 35 C 7.5512 -0.3504 0.3681 C.3 1 UNL1111 -0.2637 36 C 6.4549 0.5155 1.0047 C.3 1 UNL1111 -0.2950 37 H -2.7505 1.0221 -0.1993 H 1 UNL1111 0.1744 38 H -3.7644 -3.1275 0.4556 H 1 UNL1111 0.2020 39 H -5.2797 -1.4442 0.8951 H 1 UNL1111 0.2966 40 H 0.2351 -1.9963 -0.7921 H 1 UNL1111 0.1740 41 H -0.5263 1.6206 0.9285 H 1 UNL1111 0.3189 42 H 0.9299 2.8531 -1.3692 H 1 UNL1111 0.1656 43 H 0.1610 4.2242 1.2957 H 1 UNL1111 0.1636 44 H 0.4719 4.9684 -0.2579 H 1 UNL1111 0.1718 45 H 2.0568 2.6070 1.5534 H 1 UNL1111 0.1651 46 H 3.0280 4.2261 -0.5581 H 1 UNL1111 0.3138 47 H 2.4757 0.7279 -0.3174 H 1 UNL1111 0.1744 48 H 3.3847 1.9846 -1.1937 H 1 UNL1111 0.1193 49 H -2.0949 4.4394 1.8764 H 1 UNL1111 0.1511 50 H -1.1202 3.5592 -2.2246 H 1 UNL1111 0.1617 51 H 4.6047 2.2714 1.0465 H 1 UNL1111 0.2648 52 H -4.5029 4.2902 1.3324 H 1 UNL1111 0.1447 53 H -5.2281 3.7462 -0.9797 H 1 UNL1111 0.1496 54 H -3.5307 3.3772 -2.7540 H 1 UNL1111 0.1539 55 H -4.7512 1.3698 0.0607 H 1 UNL1111 0.1527 56 H -6.2413 0.7072 0.7776 H 1 UNL1111 0.1384 57 H -5.0381 0.3850 2.9971 H 1 UNL1111 0.1507 58 H -3.5382 0.9854 2.2840 H 1 UNL1111 0.1582 59 H -4.9225 2.0683 2.4686 H 1 UNL1111 0.1482 60 H 0.1568 -4.1296 -1.6953 H 1 UNL1111 0.1519 61 H 0.7882 -4.0354 -0.0124 H 1 UNL1111 0.1491 62 H -1.2052 -7.0116 0.9573 H 1 UNL1111 0.1763 63 H -1.8632 -7.1440 -0.6741 H 1 UNL1111 0.1774 64 H 0.8799 -6.3770 0.0503 H 1 UNL1111 0.1499 65 H 0.2099 -6.4735 -1.5778 H 1 UNL1111 0.1513 66 H 5.4250 0.7568 -0.8998 H 1 UNL1111 0.1098 67 H 3.8575 -1.0512 1.0010 H 1 UNL1111 0.1597 68 H 3.9798 -1.1119 -0.7619 H 1 UNL1111 0.1346 69 H 6.8114 1.5538 1.1214 H 1 UNL1111 0.1313 70 H 6.2243 0.1587 2.0272 H 1 UNL1111 0.1531 71 H 5.8443 -2.2661 1.3431 H 1 UNL1111 0.1369 72 H 5.3182 -2.9723 -0.1863 H 1 UNL1111 0.1263 73 H 7.7048 -2.3892 -0.3859 H 1 UNL1111 0.1291 74 H 6.7847 -1.3097 -1.4343 H 1 UNL1111 0.1357 75 H 8.2515 -0.6893 1.1539 H 1 UNL1111 0.1339 76 H 8.1546 0.2557 -0.3324 H 1 UNL1111 0.1314 @BOND 1 1 2 ar 2 1 6 ar 3 1 21 1 4 2 3 ar 5 2 37 1 6 3 4 ar 7 3 7 1 8 4 5 ar 9 4 40 1 10 5 6 ar 11 5 24 1 12 6 38 1 13 7 8 am 14 7 9 2 15 8 10 1 16 8 41 1 17 10 11 1 18 10 12 1 19 10 42 1 20 11 14 1 21 11 43 1 22 11 44 1 23 12 13 1 24 12 15 1 25 12 45 1 26 13 46 1 27 14 16 ar 28 14 20 ar 29 15 30 1 30 15 47 1 31 15 48 1 32 16 17 ar 33 16 49 1 34 17 18 ar 35 17 52 1 36 18 19 ar 37 18 53 1 38 19 20 ar 39 19 54 1 40 20 50 1 41 21 22 1 42 21 39 1 43 22 23 1 44 22 55 1 45 22 56 1 46 23 57 1 47 23 58 1 48 23 59 1 49 24 25 am 50 24 28 1 51 25 26 1 52 25 29 2 53 26 27 1 54 26 62 1 55 26 63 1 56 27 28 1 57 27 64 1 58 27 65 1 59 28 60 1 60 28 61 1 61 30 31 1 62 30 51 1 63 31 32 1 64 31 36 1 65 31 66 1 66 32 33 1 67 32 67 1 68 32 68 1 69 33 34 1 70 33 71 1 71 33 72 1 72 34 35 1 73 34 73 1 74 34 74 1 75 35 36 1 76 35 75 1 77 35 76 1 78 36 69 1 79 36 70 1