@MOLECULE nalpha-[(benzyloxy)carbonyl]-n-[(2s)-4-hydroxy-1-{4-[(2-methyl-2-propanyl)oxy]phenyl}-3-oxo-2-butanyl]-l-phenylalaninamide 75 77 0 0 0 SMALL GASTEIGER @ATOM 1 C -1.4125 0.3305 -0.7920 C.2 1 UNL1111111111 0.7287 2 O -1.4752 0.8865 0.2826 O.2 1 UNL1111111111 -0.5599 3 O -2.1557 0.6699 -1.8936 O.3 1 UNL1111111111 -0.4232 4 C -3.2897 1.4938 -1.6102 C.3 1 UNL1111111111 -0.0121 5 C -4.3934 0.6425 -1.0640 C.ar 1 UNL1111111111 -0.0617 6 C -4.6940 -0.5682 -1.6903 C.ar 1 UNL1111111111 -0.1366 7 C -5.7139 -1.3733 -1.1904 C.ar 1 UNL1111111111 -0.1499 8 C -6.4353 -0.9668 -0.0686 C.ar 1 UNL1111111111 -0.1414 9 C -6.1307 0.2401 0.5583 C.ar 1 UNL1111111111 -0.1506 10 C -5.1057 1.0448 0.0648 C.ar 1 UNL1111111111 -0.1386 11 N -0.5510 -0.6852 -1.1268 N.am 1 UNL1111111111 -0.5808 12 C 0.2656 -1.2861 -0.0788 C.3 1 UNL1111111111 0.0320 13 C 1.6590 -1.5035 -0.6953 C.2 1 UNL1111111111 0.5517 14 O 1.8202 -1.8326 -1.8516 O.2 1 UNL1111111111 -0.5299 15 C -0.2770 -2.6569 0.3760 C.3 1 UNL1111111111 -0.3144 16 C -1.6559 -2.5590 0.9566 C.ar 1 UNL1111111111 0.0041 17 C -1.9624 -1.6012 1.9255 C.ar 1 UNL1111111111 -0.1517 18 C -2.6406 -3.4556 0.5364 C.ar 1 UNL1111111111 -0.1744 19 C -3.2422 -1.5445 2.4715 C.ar 1 UNL1111111111 -0.1351 20 C -3.9181 -3.4004 1.0887 C.ar 1 UNL1111111111 -0.1435 21 C -4.2206 -2.4468 2.0584 C.ar 1 UNL1111111111 -0.1571 22 N 2.7293 -1.3552 0.1640 N.am 1 UNL1111111111 -0.5844 23 O 5.6696 -2.7537 0.6099 O.2 1 UNL1111111111 -0.4412 24 O 1.4391 4.2640 0.9873 O.3 1 UNL1111111111 -0.3963 25 O 4.7565 -5.0145 -0.5422 O.3 1 UNL1111111111 -0.5256 26 C 4.8740 -0.1203 0.2662 C.3 1 UNL1111111111 -0.3018 27 C 4.0805 -1.2651 -0.4001 C.3 1 UNL1111111111 -0.0097 28 C 4.7646 -2.6199 -0.1731 C.2 1 UNL1111111111 0.3988 29 C 4.2671 -3.7777 -1.0035 C.3 1 UNL1111111111 -0.1052 30 C 4.0070 1.0911 0.4133 C.ar 1 UNL1111111111 -0.0839 31 C 2.2506 3.2322 0.6821 C.ar 1 UNL1111111111 0.2915 32 C -0.3711 3.7581 -0.5675 C.3 1 UNL1111111111 -0.5160 33 C 0.5100 4.8352 0.0477 C.3 1 UNL1111111111 0.3464 34 C 3.6117 1.5167 1.6870 C.ar 1 UNL1111111111 -0.1177 35 C 3.5439 1.7674 -0.7150 C.ar 1 UNL1111111111 -0.0931 36 C 2.7352 2.5791 1.8321 C.ar 1 UNL1111111111 -0.2484 37 C 2.6608 2.8364 -0.5920 C.ar 1 UNL1111111111 -0.2958 38 C -0.3019 5.7338 0.9961 C.3 1 UNL1111111111 -0.4797 39 C 1.2627 5.6732 -0.9844 C.3 1 UNL1111111111 -0.5077 40 H -2.9969 2.3220 -0.9359 H 1 UNL1111111111 0.1540 41 H -3.5254 1.8951 -2.6176 H 1 UNL1111111111 0.1547 42 H -4.1224 -0.8837 -2.5623 H 1 UNL1111111111 0.1594 43 H -5.9454 -2.3200 -1.6738 H 1 UNL1111111111 0.1506 44 H -7.2343 -1.5950 0.3196 H 1 UNL1111111111 0.1478 45 H -6.6889 0.5525 1.4381 H 1 UNL1111111111 0.1492 46 H -4.8558 1.9770 0.5686 H 1 UNL1111111111 0.1553 47 H -0.5733 -1.1372 -2.0323 H 1 UNL1111111111 0.3436 48 H 0.3165 -0.5800 0.7997 H 1 UNL1111111111 0.1869 49 H -0.2595 -3.3650 -0.4812 H 1 UNL1111111111 0.1685 50 H 0.4093 -3.0972 1.1330 H 1 UNL1111111111 0.1697 51 H -1.2140 -0.8773 2.2474 H 1 UNL1111111111 0.1628 52 H -2.4157 -4.2001 -0.2241 H 1 UNL1111111111 0.1513 53 H -3.4788 -0.7873 3.2166 H 1 UNL1111111111 0.1502 54 H -4.6819 -4.1019 0.7602 H 1 UNL1111111111 0.1473 55 H -5.2196 -2.4003 2.4851 H 1 UNL1111111111 0.1487 56 H 2.6133 -0.9791 1.0972 H 1 UNL1111111111 0.3260 57 H 5.5639 -4.8818 0.0082 H 1 UNL1111111111 0.3317 58 H 5.2780 -0.4537 1.2473 H 1 UNL1111111111 0.1742 59 H 5.7771 0.1079 -0.3360 H 1 UNL1111111111 0.1640 60 H 4.0173 -1.0760 -1.5110 H 1 UNL1111111111 0.1811 61 H 4.5747 -3.6717 -2.0646 H 1 UNL1111111111 0.1565 62 H 3.1612 -3.8800 -0.9694 H 1 UNL1111111111 0.1798 63 H -1.2089 4.1970 -1.1180 H 1 UNL1111111111 0.1542 64 H 0.1720 3.1041 -1.2579 H 1 UNL1111111111 0.1610 65 H -0.7896 3.0999 0.2146 H 1 UNL1111111111 0.1917 66 H 3.9939 1.0104 2.5730 H 1 UNL1111111111 0.1515 67 H 3.8648 1.4536 -1.7080 H 1 UNL1111111111 0.1511 68 H 2.4104 2.9196 2.8121 H 1 UNL1111111111 0.1724 69 H 2.3078 3.3483 -1.4807 H 1 UNL1111111111 0.1663 70 H 0.3415 6.4777 1.4812 H 1 UNL1111111111 0.1593 71 H -1.0952 6.2598 0.4592 H 1 UNL1111111111 0.1519 72 H -0.7645 5.1397 1.7953 H 1 UNL1111111111 0.1643 73 H 1.5822 5.0898 -1.8538 H 1 UNL1111111111 0.1535 74 H 0.6414 6.4940 -1.3593 H 1 UNL1111111111 0.1567 75 H 2.1626 6.1182 -0.5384 H 1 UNL1111111111 0.1670 @BOND 1 1 3 1 2 1 2 2 3 3 4 1 4 4 40 1 5 4 41 1 6 5 4 1 7 5 6 ar 8 6 42 1 9 7 6 ar 10 7 43 1 11 8 7 ar 12 8 44 1 13 9 10 ar 14 9 8 ar 15 9 45 1 16 10 5 ar 17 10 46 1 18 11 1 am 19 11 12 1 20 11 47 1 21 12 15 1 22 12 48 1 23 13 22 am 24 13 12 1 25 14 13 2 26 15 16 1 27 15 49 1 28 15 50 1 29 16 18 ar 30 17 16 ar 31 17 51 1 32 18 52 1 33 19 17 ar 34 19 21 ar 35 19 53 1 36 20 18 ar 37 20 54 1 38 21 20 ar 39 21 55 1 40 22 56 1 41 24 31 1 42 25 29 1 43 25 57 1 44 26 30 1 45 26 58 1 46 26 59 1 47 27 22 1 48 27 26 1 49 27 60 1 50 28 23 2 51 28 27 1 52 29 28 1 53 29 61 1 54 29 62 1 55 30 34 ar 56 31 36 ar 57 32 63 1 58 32 64 1 59 32 65 1 60 33 24 1 61 33 32 1 62 34 66 1 63 35 30 ar 64 35 67 1 65 36 34 ar 66 36 68 1 67 37 31 ar 68 37 35 ar 69 37 69 1 70 38 33 1 71 38 70 1 72 38 71 1 73 38 72 1 74 39 33 1 75 39 73 1 76 39 74 1 77 39 75 1