@MOLECULE n-[(benzyloxy)carbonyl]-l-leucyl-n-[(3s)-1-anilino-2-hydroxy-5-methyl-1-oxo-3-hexanyl]-l-leucinamide 91 92 0 0 0 SMALL GASTEIGER @ATOM 1 C -3.9427 -0.0146 0.6969 C.2 1 UNL111111111 0.7249 2 O -3.2137 0.5926 1.4595 O.2 1 UNL111111111 -0.5965 3 O -5.2209 0.3442 0.3967 O.3 1 UNL111111111 -0.4126 4 C -5.6548 1.5663 1.0265 C.3 1 UNL111111111 -0.0125 5 C -7.0029 1.8253 0.4322 C.ar 1 UNL111111111 -0.0384 6 C -7.2275 1.5763 -0.9223 C.ar 1 UNL111111111 -0.1333 7 C -8.4843 1.8212 -1.4720 C.ar 1 UNL111111111 -0.1459 8 C -9.5107 2.3220 -0.6729 C.ar 1 UNL111111111 -0.1460 9 C -9.2810 2.5766 0.6786 C.ar 1 UNL111111111 -0.1422 10 C -8.0294 2.3236 1.2355 C.ar 1 UNL111111111 -0.1572 11 N -3.6035 -1.1488 0.0033 N.am 1 UNL111111111 -0.5869 12 C -2.2991 -1.7680 0.2438 C.3 1 UNL111111111 0.0292 13 C -1.2351 -1.0140 -0.5868 C.2 1 UNL111111111 0.5473 14 O -0.7462 -1.4759 -1.6019 O.2 1 UNL111111111 -0.5724 15 C -2.3055 -3.2405 -0.1801 C.3 1 UNL111111111 -0.3157 16 C -3.0650 -4.1322 0.8173 C.3 1 UNL111111111 -0.0526 17 C -3.2616 -5.5214 0.1984 C.3 1 UNL111111111 -0.4551 18 C -2.3008 -4.2534 2.1402 C.3 1 UNL111111111 -0.4557 19 N -0.8257 0.1875 -0.0689 N.am 1 UNL111111111 -0.5881 20 C 0.1833 0.9859 -0.7691 C.3 1 UNL111111111 0.0165 21 C 1.5667 0.4174 -0.3802 C.2 1 UNL111111111 0.5703 22 O 2.2982 0.9732 0.4224 O.2 1 UNL111111111 -0.5938 23 C 0.0872 2.4598 -0.3544 C.3 1 UNL111111111 -0.3126 24 C 0.9881 3.3501 -1.2327 C.3 1 UNL111111111 -0.0476 25 C 0.4202 3.4852 -2.6492 C.3 1 UNL111111111 -0.4619 26 C 1.1169 4.7341 -0.5853 C.3 1 UNL111111111 -0.4541 27 C 4.2963 -1.1641 -1.5264 C.3 1 UNL111111111 0.0354 28 O 4.7874 -2.3588 -2.0759 O.3 1 UNL111111111 -0.5449 29 C 3.1064 -1.5124 -0.5775 C.3 1 UNL111111111 0.0608 30 C 2.7906 -3.0167 -0.6264 C.3 1 UNL111111111 -0.3050 31 C 1.6261 -3.4149 0.2980 C.3 1 UNL111111111 -0.0610 32 C 1.2684 -4.8858 0.0466 C.3 1 UNL111111111 -0.4601 33 C 1.9796 -3.2015 1.7728 C.3 1 UNL111111111 -0.4567 34 N 1.9344 -0.7373 -1.0184 N.am 1 UNL111111111 -0.5950 35 C 5.4381 -0.4211 -0.8070 C.2 1 UNL111111111 0.5227 36 O 6.5795 -0.8211 -0.9242 O.2 1 UNL111111111 -0.5336 37 C 5.9600 1.5475 0.6079 C.ar 1 UNL111111111 0.2188 38 C 5.3719 2.4863 1.4765 C.ar 1 UNL111111111 -0.2387 39 C 6.1815 3.3662 2.1821 C.ar 1 UNL111111111 -0.1076 40 C 7.5684 3.3216 2.0350 C.ar 1 UNL111111111 -0.1999 41 C 8.1440 2.3895 1.1751 C.ar 1 UNL111111111 -0.1085 42 C 7.3501 1.5000 0.4557 C.ar 1 UNL111111111 -0.2172 43 N 5.0746 0.7039 -0.1028 N.am 1 UNL111111111 -0.5588 44 H -5.6723 1.3995 2.1201 H 1 UNL111111111 0.1506 45 H -4.9295 2.3714 0.7929 H 1 UNL111111111 0.1543 46 H -6.4232 1.1875 -1.5463 H 1 UNL111111111 0.1616 47 H -8.6630 1.6228 -2.5272 H 1 UNL111111111 0.1515 48 H -10.4914 2.5140 -1.1038 H 1 UNL111111111 0.1511 49 H -10.0819 2.9711 1.3013 H 1 UNL111111111 0.1511 50 H -7.8581 2.5141 2.2932 H 1 UNL111111111 0.1535 51 H -4.2483 -1.6048 -0.6247 H 1 UNL111111111 0.3363 52 H -2.0356 -1.6808 1.3378 H 1 UNL111111111 0.1794 53 H -2.7257 -3.3456 -1.2009 H 1 UNL111111111 0.1636 54 H -1.2579 -3.6005 -0.2864 H 1 UNL111111111 0.1779 55 H -4.0680 -3.6845 1.0210 H 1 UNL111111111 0.1336 56 H -2.3025 -6.0043 -0.0201 H 1 UNL111111111 0.1482 57 H -3.8124 -6.1830 0.8759 H 1 UNL111111111 0.1449 58 H -3.8271 -5.4708 -0.7380 H 1 UNL111111111 0.1431 59 H -1.2821 -4.6274 1.9873 H 1 UNL111111111 0.1479 60 H -2.2267 -3.2919 2.6596 H 1 UNL111111111 0.1440 61 H -2.8026 -4.9485 2.8231 H 1 UNL111111111 0.1468 62 H -1.3004 0.6053 0.7323 H 1 UNL111111111 0.3535 63 H 0.0373 0.8866 -1.8825 H 1 UNL111111111 0.1752 64 H -0.9616 2.8070 -0.4136 H 1 UNL111111111 0.1511 65 H 0.3895 2.5691 0.7099 H 1 UNL111111111 0.1722 66 H 2.0076 2.8913 -1.2875 H 1 UNL111111111 0.1470 67 H -0.5898 3.9084 -2.6400 H 1 UNL111111111 0.1445 68 H 1.0446 4.1466 -3.2613 H 1 UNL111111111 0.1481 69 H 0.3707 2.5212 -3.1655 H 1 UNL111111111 0.1408 70 H 1.5706 4.6674 0.4108 H 1 UNL111111111 0.1504 71 H 1.7533 5.3935 -1.1860 H 1 UNL111111111 0.1460 72 H 0.1441 5.2235 -0.4775 H 1 UNL111111111 0.1408 73 H 3.9494 -0.5607 -2.4019 H 1 UNL111111111 0.1693 74 H 5.7655 -2.4392 -1.9281 H 1 UNL111111111 0.3511 75 H 3.3607 -1.2290 0.4809 H 1 UNL111111111 0.1652 76 H 2.5695 -3.3233 -1.6694 H 1 UNL111111111 0.1637 77 H 3.7030 -3.5867 -0.3561 H 1 UNL111111111 0.1682 78 H 1.2670 -1.2183 -1.6262 H 1 UNL111111111 0.3484 79 H 0.7339 -2.7888 0.0503 H 1 UNL111111111 0.1301 80 H 2.1124 -5.5476 0.2708 H 1 UNL111111111 0.1494 81 H 0.4275 -5.2060 0.6701 H 1 UNL111111111 0.1384 82 H 0.9864 -5.0532 -0.9991 H 1 UNL111111111 0.1449 83 H 2.8999 -3.7284 2.0475 H 1 UNL111111111 0.1488 84 H 2.1243 -2.1396 2.0038 H 1 UNL111111111 0.1491 85 H 1.1838 -3.5689 2.4291 H 1 UNL111111111 0.1396 86 H 4.2885 2.5187 1.5953 H 1 UNL111111111 0.1722 87 H 5.7318 4.0936 2.8560 H 1 UNL111111111 0.1462 88 H 8.1966 4.0123 2.5902 H 1 UNL111111111 0.1493 89 H 9.2267 2.3524 1.0611 H 1 UNL111111111 0.1487 90 H 7.8169 0.7773 -0.2158 H 1 UNL111111111 0.1932 91 H 4.0669 0.8943 0.0365 H 1 UNL111111111 0.3572 @BOND 1 1 3 1 2 2 1 2 3 3 4 1 4 4 5 1 5 4 44 1 6 4 45 1 7 5 6 ar 8 5 10 ar 9 6 7 ar 10 6 46 1 11 7 8 ar 12 7 47 1 13 8 48 1 14 9 8 ar 15 9 49 1 16 10 9 ar 17 10 50 1 18 11 1 am 19 11 51 1 20 12 11 1 21 12 52 1 22 13 12 1 23 14 13 2 24 15 12 1 25 15 16 1 26 15 53 1 27 15 54 1 28 16 18 1 29 16 55 1 30 17 16 1 31 17 56 1 32 17 57 1 33 17 58 1 34 18 59 1 35 18 60 1 36 18 61 1 37 19 13 am 38 19 62 1 39 20 23 1 40 20 19 1 41 20 63 1 42 21 20 1 43 22 21 2 44 23 24 1 45 23 64 1 46 23 65 1 47 24 25 1 48 24 66 1 49 25 67 1 50 25 68 1 51 25 69 1 52 26 24 1 53 26 70 1 54 26 71 1 55 26 72 1 56 27 28 1 57 27 29 1 58 27 73 1 59 28 74 1 60 29 34 1 61 29 75 1 62 30 29 1 63 30 31 1 64 30 76 1 65 30 77 1 66 31 33 1 67 31 79 1 68 32 31 1 69 32 80 1 70 32 81 1 71 32 82 1 72 33 83 1 73 33 84 1 74 33 85 1 75 34 21 am 76 34 78 1 77 35 27 1 78 35 43 am 79 36 35 2 80 37 43 1 81 37 42 ar 82 38 39 ar 83 38 37 ar 84 38 86 1 85 39 40 ar 86 39 87 1 87 40 41 ar 88 40 88 1 89 41 89 1 90 42 41 ar 91 42 90 1 92 43 91 1