@MOLECULE 5-amino-n-(3-amino-2,2-dimethyl-3-oxopropyl)-4-hydroxy-2-isopropyl-6-{4-[2-(3-methoxypropoxy)phenyl]-3-oxo-1-piperazinyl}hexanamide 86 87 0 0 0 SMALL GASTEIGER @ATOM 1 C 2.4019 -2.0387 -0.1947 C.3 1 UNL1111111111 -0.1960 2 N 2.2398 -1.1887 1.0022 N.3 1 UNL1111111111 -0.4236 3 C 3.3363 -1.4366 1.9632 C.3 1 UNL1111111111 -0.1408 4 C 4.6191 -0.9039 1.2884 C.3 1 UNL1111111111 -0.0647 5 N 4.8790 -1.6808 0.0666 N.am 1 UNL1111111111 -0.4604 6 C 3.8254 -2.0827 -0.7399 C.2 1 UNL1111111111 0.5732 7 C 6.1930 -1.6477 -0.4756 C.ar 1 UNL1111111111 0.1001 8 C 6.9732 -0.4691 -0.4894 C.ar 1 UNL1111111111 0.1908 9 C 8.2635 -0.4677 -1.0109 C.ar 1 UNL1111111111 -0.2657 10 C 8.7842 -1.6467 -1.5432 C.ar 1 UNL1111111111 -0.1075 11 C 8.0233 -2.8113 -1.5516 C.ar 1 UNL1111111111 -0.1856 12 C 6.7347 -2.8160 -1.0193 C.ar 1 UNL1111111111 -0.1112 13 O 6.3873 0.6138 0.0920 O.3 1 UNL1111111111 -0.3574 14 C 6.7768 1.8969 -0.4114 C.3 1 UNL1111111111 -0.0334 15 C 5.6252 2.8002 0.0266 C.3 1 UNL1111111111 -0.3140 16 C 5.7953 4.1986 -0.5708 C.3 1 UNL1111111111 -0.0450 17 O 4.7181 4.9365 -0.0046 O.3 1 UNL1111111111 -0.3758 18 C 4.6063 6.2424 -0.5346 C.3 1 UNL1111111111 -0.2027 19 C 0.9023 -1.3658 1.6087 C.3 1 UNL1111111111 -0.1798 20 C -0.1136 -0.5103 0.7922 C.3 1 UNL1111111111 -0.0010 21 C -1.5106 -0.6586 1.4537 C.3 1 UNL1111111111 0.1369 22 N 0.2729 0.9109 0.7185 N.3 1 UNL1111111111 -0.6184 23 C -2.5937 0.0742 0.6603 C.3 1 UNL1111111111 -0.3233 24 O -1.4288 -0.1935 2.7852 O.3 1 UNL1111111111 -0.5773 25 C -3.9907 -0.5111 0.9067 C.3 1 UNL1111111111 -0.2077 26 C -4.9446 0.1300 -0.0937 C.2 1 UNL1111111111 0.5802 27 N -5.8272 -0.7372 -0.7180 N.am 1 UNL1111111111 -0.6101 28 O -4.9289 1.3093 -0.3775 O.2 1 UNL1111111111 -0.5334 29 C -4.4965 -0.2606 2.3477 C.3 1 UNL1111111111 -0.0687 30 C -6.8436 -0.2320 -1.6372 C.3 1 UNL1111111111 -0.0762 31 C -8.2431 -0.0729 -0.9696 C.3 1 UNL1111111111 -0.0162 32 C -9.2196 0.2496 -2.1083 C.2 1 UNL1111111111 0.5720 33 N -10.4814 0.7043 -1.7789 N.am 1 UNL1111111111 -0.6894 34 C -8.6971 -1.3855 -0.3259 C.3 1 UNL1111111111 -0.4565 35 C -8.2115 1.0614 0.0521 C.3 1 UNL1111111111 -0.4588 36 O -8.9365 0.0963 -3.2794 O.2 1 UNL1111111111 -0.5396 37 C -4.8483 1.2073 2.5973 C.3 1 UNL1111111111 -0.4556 38 C -5.7115 -1.1482 2.6465 C.3 1 UNL1111111111 -0.4700 39 O 4.0290 -2.5593 -1.8383 O.2 1 UNL1111111111 -0.5316 40 H 2.0731 -3.0932 -0.0417 H 1 UNL1111111111 0.1501 41 H 1.7523 -1.6124 -1.0011 H 1 UNL1111111111 0.1813 42 H 3.1467 -0.8660 2.8974 H 1 UNL1111111111 0.1495 43 H 3.4493 -2.5038 2.2449 H 1 UNL1111111111 0.1332 44 H 4.4849 0.1790 1.0421 H 1 UNL1111111111 0.1664 45 H 5.4913 -0.9889 1.9722 H 1 UNL1111111111 0.1526 46 H 8.8638 0.4361 -1.0052 H 1 UNL1111111111 0.1610 47 H 9.7911 -1.6510 -1.9574 H 1 UNL1111111111 0.1498 48 H 8.4283 -3.7252 -1.9810 H 1 UNL1111111111 0.1575 49 H 6.1320 -3.7263 -1.0452 H 1 UNL1111111111 0.1767 50 H 7.7358 2.1723 0.0592 H 1 UNL1111111111 0.1256 51 H 6.8857 1.8610 -1.5092 H 1 UNL1111111111 0.1328 52 H 4.6516 2.3677 -0.2874 H 1 UNL1111111111 0.1736 53 H 5.5686 2.8604 1.1319 H 1 UNL1111111111 0.1655 54 H 6.7495 4.6671 -0.2747 H 1 UNL1111111111 0.1127 55 H 5.7125 4.1916 -1.6715 H 1 UNL1111111111 0.1193 56 H 3.7531 6.6585 0.0172 H 1 UNL1111111111 0.1469 57 H 5.5075 6.8294 -0.3359 H 1 UNL1111111111 0.1183 58 H 4.3858 6.2150 -1.6064 H 1 UNL1111111111 0.1227 59 H 0.5722 -2.4218 1.6554 H 1 UNL1111111111 0.1233 60 H 0.9142 -0.9980 2.6592 H 1 UNL1111111111 0.1597 61 H -0.1680 -0.8936 -0.2592 H 1 UNL1111111111 0.1488 62 H -1.7549 -1.7369 1.5959 H 1 UNL1111111111 0.1342 63 H 0.3058 1.3277 1.6365 H 1 UNL1111111111 0.2391 64 H 1.2051 0.9878 0.3223 H 1 UNL1111111111 0.2692 65 H -2.5775 1.1613 0.8922 H 1 UNL1111111111 0.1810 66 H -2.3584 0.0483 -0.4250 H 1 UNL1111111111 0.1733 67 H -1.5702 0.7730 2.8330 H 1 UNL1111111111 0.3258 68 H -3.9425 -1.6160 0.7434 H 1 UNL1111111111 0.1469 69 H -5.9239 -1.6919 -0.4200 H 1 UNL1111111111 0.3031 70 H -3.6691 -0.5522 3.0489 H 1 UNL1111111111 0.1649 71 H -6.5201 0.7540 -2.0549 H 1 UNL1111111111 0.1828 72 H -6.9184 -0.9285 -2.5071 H 1 UNL1111111111 0.1644 73 H -10.7726 0.8693 -0.8439 H 1 UNL1111111111 0.3018 74 H -11.1361 0.9156 -2.5058 H 1 UNL1111111111 0.3119 75 H -8.0731 -1.6451 0.5369 H 1 UNL1111111111 0.1500 76 H -9.7303 -1.3287 0.0365 H 1 UNL1111111111 0.1509 77 H -8.6494 -2.2198 -1.0379 H 1 UNL1111111111 0.1579 78 H -8.0581 2.0371 -0.4307 H 1 UNL1111111111 0.1671 79 H -9.1213 1.1159 0.6553 H 1 UNL1111111111 0.1402 80 H -7.3697 0.9390 0.7500 H 1 UNL1111111111 0.1659 81 H -5.7434 1.5165 2.0436 H 1 UNL1111111111 0.1530 82 H -5.0328 1.3970 3.6593 H 1 UNL1111111111 0.1427 83 H -4.0432 1.8769 2.2692 H 1 UNL1111111111 0.1565 84 H -5.4803 -2.2099 2.5188 H 1 UNL1111111111 0.1396 85 H -6.0443 -1.0130 3.6829 H 1 UNL1111111111 0.1518 86 H -6.5621 -0.9011 2.0025 H 1 UNL1111111111 0.1433 @BOND 1 1 40 1 2 1 41 1 3 2 1 1 4 2 19 1 5 3 2 1 6 3 42 1 7 3 43 1 8 4 5 1 9 4 3 1 10 4 44 1 11 4 45 1 12 5 6 am 13 6 39 2 14 6 1 1 15 7 5 1 16 8 7 ar 17 9 10 ar 18 9 8 ar 19 9 46 1 20 10 11 ar 21 10 47 1 22 11 12 ar 23 11 48 1 24 12 7 ar 25 12 49 1 26 13 8 1 27 14 15 1 28 14 13 1 29 14 50 1 30 14 51 1 31 15 52 1 32 15 53 1 33 16 15 1 34 16 54 1 35 16 55 1 36 17 16 1 37 18 17 1 38 18 56 1 39 18 57 1 40 18 58 1 41 19 20 1 42 19 59 1 43 19 60 1 44 20 21 1 45 20 61 1 46 21 23 1 47 21 62 1 48 22 20 1 49 22 63 1 50 22 64 1 51 23 25 1 52 23 65 1 53 23 66 1 54 24 21 1 55 24 67 1 56 25 29 1 57 25 26 1 58 25 68 1 59 26 27 am 60 26 28 2 61 27 30 1 62 27 69 1 63 29 37 1 64 29 70 1 65 30 31 1 66 30 71 1 67 30 72 1 68 31 32 1 69 31 35 1 70 31 34 1 71 32 36 2 72 33 32 am 73 33 73 1 74 33 74 1 75 34 75 1 76 34 76 1 77 34 77 1 78 35 78 1 79 35 79 1 80 35 80 1 81 37 81 1 82 37 82 1 83 37 83 1 84 38 29 1 85 38 84 1 86 38 85 1 87 38 86 1