@MOLECULE benzyl N-[(1S)-5-amino-1-[[(1S)-1-[[(1S)-5-amino-1-[(S)-1,3-benzoxazol-2-yl(hydroxy)methyl]pentyl]carbamoyl]-3-phenyl-propyl]carbamoyl]pentyl]carbamate 97 100 0 0 0 SMALL GASTEIGER @ATOM 1 C 9.0884 0.0998 1.1530 C.ar 1 UNL111111111 -0.1474 2 C 8.8239 1.5620 -0.7512 C.ar 1 UNL111111111 -0.1500 3 C 4.2994 -6.0879 1.5163 C.ar 1 UNL111111111 -0.1678 4 C -3.0247 3.5027 0.5852 C.3 1 UNL111111111 -0.2792 5 C -2.8342 1.9904 0.7238 C.3 1 UNL111111111 -0.2647 6 C -3.7146 1.2627 -0.3005 C.3 1 UNL111111111 -0.3126 7 C -3.5053 -0.2602 -0.2443 C.3 1 UNL111111111 0.0559 8 C -1.3980 -1.5298 -0.0255 C.2 1 UNL111111111 0.5514 9 C 2.6637 -5.6443 -0.2043 C.ar 1 UNL111111111 -0.1780 10 C 7.6209 0.9345 -1.0671 C.ar 1 UNL111111111 -0.1372 11 C 0.8150 0.6347 -0.8702 C.2 1 UNL111111111 0.5325 12 C 3.6549 -3.8136 1.0239 C.ar 1 UNL111111111 -0.1807 13 C 2.7835 -4.2742 0.0338 C.ar 1 UNL111111111 0.0201 14 C 1.9794 -3.2942 -0.7641 C.3 1 UNL111111111 -0.2920 15 C 0.6603 -2.9829 -0.0435 C.3 1 UNL111111111 -0.2827 16 C 0.0341 -1.6927 -0.5881 C.3 1 UNL111111111 0.0056 17 C 7.1522 -0.1090 -0.2678 C.ar 1 UNL111111111 -0.0478 18 C 5.8766 -0.8023 -0.6278 C.3 1 UNL111111111 -0.0140 19 C 1.7905 1.7180 -0.3457 C.3 1 UNL111111111 0.0281 20 C 1.2864 3.0959 -0.7893 C.3 1 UNL111111111 -0.2910 21 C 1.8707 4.2067 0.0882 C.3 1 UNL111111111 -0.2629 22 C -4.4982 -1.0064 -1.1952 C.3 1 UNL111111111 0.1061 23 C -5.8946 -0.9170 -0.6756 C.ar 1 UNL111111111 0.2451 24 C 1.1645 5.5357 -0.1972 C.3 1 UNL111111111 -0.2940 25 C 7.8789 -0.5211 0.8491 C.ar 1 UNL111111111 -0.1505 26 C 9.5620 1.1385 0.3533 C.ar 1 UNL111111111 -0.1444 27 O 4.9664 0.1985 -1.1077 O.3 1 UNL111111111 -0.4210 28 C 3.8556 0.4098 -0.3510 C.2 1 UNL111111111 0.7305 29 O 3.5485 -0.2327 0.6359 O.2 1 UNL111111111 -0.5953 30 N 3.1226 1.4407 -0.8886 N.am 1 UNL111111111 -0.5852 31 C 1.5290 6.5865 0.8672 C.3 1 UNL111111111 -0.1076 32 N 0.4223 7.5655 0.9913 N.3 1 UNL111111111 -0.6596 33 O 0.0793 0.8159 -1.8217 O.2 1 UNL111111111 -0.5613 34 N 0.8250 -0.5350 -0.1583 N.am 1 UNL111111111 -0.5833 35 C 4.4111 -4.7198 1.7621 C.ar 1 UNL111111111 -0.1368 36 C 3.4222 -6.5484 0.5360 C.ar 1 UNL111111111 -0.1395 37 O -1.8262 -2.1833 0.9011 O.2 1 UNL111111111 -0.5322 38 N -2.1547 -0.5967 -0.6886 N.am 1 UNL111111111 -0.5920 39 C -2.0606 4.2811 1.5041 C.3 1 UNL111111111 -0.0936 40 O -4.4429 -0.4913 -2.4959 O.3 1 UNL111111111 -0.5069 41 O -6.3909 -2.0776 -0.0663 O.2 1 UNL111111111 -0.2350 42 C -7.6851 -1.7529 0.2888 C.ar 1 UNL111111111 0.0997 43 C -8.6255 -2.5442 0.9208 C.ar 1 UNL111111111 -0.1803 44 C -9.8661 -1.9456 1.1379 C.ar 1 UNL111111111 -0.1216 45 C -10.1348 -0.6255 0.7417 C.ar 1 UNL111111111 -0.1739 46 C -9.1783 0.1670 0.1118 C.ar 1 UNL111111111 -0.1110 47 C -7.9355 -0.4105 -0.1170 C.ar 1 UNL111111111 0.0489 48 N -6.7551 0.0725 -0.7220 N.ar 1 UNL111111111 -0.4068 49 N -2.2473 5.7201 1.2180 N.3 1 UNL111111111 -0.6825 50 H 9.6634 -0.2260 2.0180 H 1 UNL111111111 0.1509 51 H 9.1890 2.3793 -1.3697 H 1 UNL111111111 0.1504 52 H 4.8923 -6.7951 2.0906 H 1 UNL111111111 0.1466 53 H -2.8562 3.8247 -0.4618 H 1 UNL111111111 0.1535 54 H -4.0685 3.7879 0.8117 H 1 UNL111111111 0.1444 55 H -1.7717 1.7222 0.5701 H 1 UNL111111111 0.1391 56 H -3.0852 1.6604 1.7490 H 1 UNL111111111 0.1398 57 H -4.7818 1.5047 -0.1127 H 1 UNL111111111 0.1700 58 H -3.4942 1.6445 -1.3176 H 1 UNL111111111 0.1528 59 H -3.6628 -0.6379 0.8050 H 1 UNL111111111 0.1764 60 H 1.9767 -6.0077 -0.9653 H 1 UNL111111111 0.1519 61 H 7.0455 1.2565 -1.9344 H 1 UNL111111111 0.1602 62 H 3.7354 -2.7436 1.2225 H 1 UNL111111111 0.1671 63 H 2.5652 -2.3635 -0.9210 H 1 UNL111111111 0.1567 64 H 1.7755 -3.6807 -1.7827 H 1 UNL111111111 0.1506 65 H -0.0527 -3.8260 -0.1523 H 1 UNL111111111 0.1722 66 H 0.8164 -2.9041 1.0535 H 1 UNL111111111 0.1712 67 H -0.0132 -1.7286 -1.7124 H 1 UNL111111111 0.1724 68 H 5.9970 -1.4668 -1.5097 H 1 UNL111111111 0.1565 69 H 5.4416 -1.3840 0.2096 H 1 UNL111111111 0.1658 70 H 1.8370 1.6660 0.7805 H 1 UNL111111111 0.1793 71 H 1.5046 3.2761 -1.8600 H 1 UNL111111111 0.1607 72 H 0.1734 3.1125 -0.7363 H 1 UNL111111111 0.1781 73 H 1.7554 3.9420 1.1584 H 1 UNL111111111 0.1424 74 H 2.9602 4.3021 -0.0810 H 1 UNL111111111 0.1432 75 H -4.1795 -2.0744 -1.3341 H 1 UNL111111111 0.1897 76 H 1.4170 5.9026 -1.2073 H 1 UNL111111111 0.1376 77 H 0.0616 5.3866 -0.2075 H 1 UNL111111111 0.1738 78 H 7.5049 -1.3242 1.4827 H 1 UNL111111111 0.1574 79 H 10.5088 1.6198 0.5905 H 1 UNL111111111 0.1498 80 H 3.3963 1.8937 -1.7476 H 1 UNL111111111 0.3332 81 H 1.6517 6.1053 1.8635 H 1 UNL111111111 0.1420 82 H 2.5005 7.0626 0.6195 H 1 UNL111111111 0.1099 83 H 0.6488 8.3043 1.6370 H 1 UNL111111111 0.2490 84 H 0.1810 7.9762 0.1027 H 1 UNL111111111 0.2528 85 H 1.5194 -0.6956 0.5743 H 1 UNL111111111 0.3504 86 H 5.0875 -4.3604 2.5351 H 1 UNL111111111 0.1475 87 H 3.3288 -7.6161 0.3487 H 1 UNL111111111 0.1467 88 H -1.7536 -0.0287 -1.4336 H 1 UNL111111111 0.3480 89 H -2.2507 4.0274 2.5667 H 1 UNL111111111 0.1085 90 H -1.0117 3.9884 1.2873 H 1 UNL111111111 0.1262 91 H -4.8378 0.4126 -2.5397 H 1 UNL111111111 0.3301 92 H -8.4125 -3.5643 1.2245 H 1 UNL111111111 0.1759 93 H -10.6536 -2.5187 1.6289 H 1 UNL111111111 0.1581 94 H -11.1252 -0.2116 0.9320 H 1 UNL111111111 0.1588 95 H -9.3847 1.1906 -0.1936 H 1 UNL111111111 0.1728 96 H -2.9180 6.1462 1.8300 H 1 UNL111111111 0.2458 97 H -1.3843 6.2473 1.2490 H 1 UNL111111111 0.2821 @BOND 1 1 25 ar 2 1 26 ar 3 1 50 1 4 2 10 ar 5 2 26 ar 6 2 51 1 7 3 35 ar 8 3 36 ar 9 3 52 1 10 4 5 1 11 4 39 1 12 4 53 1 13 4 54 1 14 5 6 1 15 5 55 1 16 5 56 1 17 6 7 1 18 6 57 1 19 6 58 1 20 7 22 1 21 7 38 1 22 7 59 1 23 8 16 1 24 8 37 2 25 8 38 am 26 9 13 ar 27 9 36 ar 28 9 60 1 29 10 17 ar 30 10 61 1 31 11 19 1 32 11 33 2 33 11 34 am 34 12 13 ar 35 12 35 ar 36 12 62 1 37 13 14 1 38 14 15 1 39 14 63 1 40 14 64 1 41 15 16 1 42 15 65 1 43 15 66 1 44 16 34 1 45 16 67 1 46 17 18 1 47 17 25 ar 48 18 27 1 49 18 68 1 50 18 69 1 51 19 20 1 52 19 30 1 53 19 70 1 54 20 21 1 55 20 71 1 56 20 72 1 57 21 24 1 58 21 73 1 59 21 74 1 60 22 23 1 61 22 40 1 62 22 75 1 63 23 41 ar 64 23 48 ar 65 24 31 1 66 24 76 1 67 24 77 1 68 25 78 1 69 26 79 1 70 27 28 1 71 28 29 2 72 28 30 am 73 30 80 1 74 31 32 1 75 31 81 1 76 31 82 1 77 32 83 1 78 32 84 1 79 34 85 1 80 35 86 1 81 36 87 1 82 38 88 1 83 39 49 1 84 39 89 1 85 39 90 1 86 40 91 1 87 41 42 ar 88 42 43 ar 89 42 47 ar 90 43 44 ar 91 43 92 1 92 44 45 ar 93 44 93 1 94 45 46 ar 95 45 94 1 96 46 47 ar 97 46 95 1 98 47 48 ar 99 49 96 1 100 49 97 1