@MOLECULE n-[(benzyloxy)carbonyl]-l-leucyl-n-{(2s,3s)-1-[(2,4-dimethylphenyl)amino]-2-hydroxy-5-methyl-1-oxo-3-hexanyl}-l-leucinamide 97 98 0 0 0 SMALL GASTEIGER @ATOM 1 O 3.8871 -0.9443 1.5067 O.2 1 UNL111111111 -0.5934 2 C 4.5162 0.0212 1.1181 C.2 1 UNL111111111 0.7260 3 O 5.8443 0.0248 0.8245 O.3 1 UNL111111111 -0.4123 4 C 6.5019 -1.2451 1.0031 C.3 1 UNL111111111 -0.0129 5 C 7.8839 -1.0057 0.4806 C.ar 1 UNL111111111 -0.0380 6 C 8.0622 -0.2638 -0.6880 C.ar 1 UNL111111111 -0.1313 7 C 9.3479 -0.0335 -1.1728 C.ar 1 UNL111111111 -0.1463 8 C 10.4517 -0.5517 -0.4977 C.ar 1 UNL111111111 -0.1454 9 C 10.2702 -1.2976 0.6663 C.ar 1 UNL111111111 -0.1436 10 C 8.9872 -1.5218 1.1610 C.ar 1 UNL111111111 -0.1554 11 N 3.9984 1.2788 0.9179 N.am 1 UNL111111111 -0.5903 12 C 2.5640 1.4781 1.1252 C.3 1 UNL111111111 0.0270 13 C 1.8111 0.9008 -0.0937 C.2 1 UNL111111111 0.5517 14 O 1.5323 1.5663 -1.0737 O.2 1 UNL111111111 -0.5704 15 C 2.2429 2.9709 1.2707 C.3 1 UNL111111111 -0.3055 16 C 0.7372 3.2184 1.4988 C.3 1 UNL111111111 -0.0550 17 C 0.2148 2.4830 2.7357 C.3 1 UNL111111111 -0.4604 18 C 0.5043 4.7271 1.6424 C.3 1 UNL111111111 -0.4553 19 N 1.4206 -0.4090 0.0366 N.am 1 UNL111111111 -0.5906 20 C 0.6502 -1.0699 -1.0226 C.3 1 UNL111111111 0.0165 21 C -0.8127 -0.5840 -0.8928 C.2 1 UNL111111111 0.5750 22 O -1.6848 -1.2657 -0.3807 O.2 1 UNL111111111 -0.6077 23 C 0.7148 -2.5929 -0.8508 C.3 1 UNL111111111 -0.3112 24 C 0.0290 -3.3296 -2.0175 C.3 1 UNL111111111 -0.0488 25 C 0.8123 -3.1585 -3.3224 C.3 1 UNL111111111 -0.4615 26 C -0.0909 -4.8182 -1.6680 C.3 1 UNL111111111 -0.4550 27 N -1.0700 0.6529 -1.4213 N.am 1 UNL111111111 -0.5887 28 C -2.3790 1.2889 -1.2045 C.3 1 UNL111111111 0.0526 29 C -2.2590 2.8061 -1.4012 C.3 1 UNL111111111 -0.3227 30 C -3.4220 3.5527 -0.7219 C.3 1 UNL111111111 -0.0558 31 C -3.2925 3.5058 0.8050 C.3 1 UNL111111111 -0.4585 32 C -3.4345 5.0092 -1.2011 C.3 1 UNL111111111 -0.4549 33 C -3.4129 0.6427 -2.1809 C.3 1 UNL111111111 0.0426 34 O -3.7338 1.4994 -3.2359 O.3 1 UNL111111111 -0.5227 35 C -4.6840 0.2816 -1.3906 C.2 1 UNL111111111 0.5227 36 O -5.7093 0.9097 -1.5583 O.2 1 UNL111111111 -0.5376 37 N -4.5251 -0.7623 -0.5072 N.am 1 UNL111111111 -0.5518 38 C -5.5138 -1.2321 0.3902 C.ar 1 UNL111111111 0.1520 39 C -6.8633 -0.8925 0.2448 C.ar 1 UNL111111111 -0.1776 40 C -7.8055 -1.3778 1.1455 C.ar 1 UNL111111111 -0.1765 41 C -7.4167 -2.2104 2.1942 C.ar 1 UNL111111111 0.0194 42 C -8.4333 -2.7367 3.1503 C.3 1 UNL111111111 -0.4482 43 C -6.0714 -2.5593 2.3321 C.ar 1 UNL111111111 -0.1934 44 C -5.1100 -2.0808 1.4460 C.ar 1 UNL111111111 -0.0211 45 C -3.6833 -2.4731 1.6293 C.3 1 UNL111111111 -0.4501 46 H 6.4661 -1.5011 2.0784 H 1 UNL111111111 0.1492 47 H 5.9580 -2.0189 0.4254 H 1 UNL111111111 0.1543 48 H 7.1978 0.1396 -1.2150 H 1 UNL111111111 0.1616 49 H 9.4890 0.5508 -2.0803 H 1 UNL111111111 0.1518 50 H 11.4555 -0.3736 -0.8785 H 1 UNL111111111 0.1508 51 H 11.1330 -1.7019 1.1923 H 1 UNL111111111 0.1507 52 H 8.8516 -2.0953 2.0756 H 1 UNL111111111 0.1531 53 H 4.5440 2.0225 0.5095 H 1 UNL111111111 0.3364 54 H 2.2543 0.9309 2.0630 H 1 UNL111111111 0.1793 55 H 2.8264 3.3964 2.1102 H 1 UNL111111111 0.1558 56 H 2.5593 3.5171 0.3568 H 1 UNL111111111 0.1644 57 H 0.1748 2.8565 0.6004 H 1 UNL111111111 0.1452 58 H 0.8355 2.6772 3.6166 H 1 UNL111111111 0.1477 59 H -0.8056 2.8028 2.9813 H 1 UNL111111111 0.1521 60 H 0.1747 1.3992 2.5812 H 1 UNL111111111 0.1445 61 H 0.8472 5.2714 0.7555 H 1 UNL111111111 0.1460 62 H -0.5600 4.9557 1.7705 H 1 UNL111111111 0.1469 63 H 1.0311 5.1371 2.5105 H 1 UNL111111111 0.1458 64 H 1.8145 -0.9928 0.7732 H 1 UNL111111111 0.3467 65 H 1.0560 -0.7732 -2.0302 H 1 UNL111111111 0.1720 66 H 1.7676 -2.9225 -0.7641 H 1 UNL111111111 0.1508 67 H 0.2187 -2.8810 0.1011 H 1 UNL111111111 0.1685 68 H -1.0021 -2.9142 -2.1509 H 1 UNL111111111 0.1506 69 H 0.3533 -3.7341 -4.1348 H 1 UNL111111111 0.1483 70 H 0.8424 -2.1137 -3.6482 H 1 UNL111111111 0.1425 71 H 1.8455 -3.5060 -3.2218 H 1 UNL111111111 0.1442 72 H -0.6917 -4.9684 -0.7635 H 1 UNL111111111 0.1478 73 H -0.5775 -5.3754 -2.4760 H 1 UNL111111111 0.1454 74 H 0.8889 -5.2751 -1.4976 H 1 UNL111111111 0.1415 75 H -0.2938 1.2441 -1.7228 H 1 UNL111111111 0.3487 76 H -2.6914 1.0809 -0.1404 H 1 UNL111111111 0.1570 77 H -1.2962 3.1758 -0.9965 H 1 UNL111111111 0.1497 78 H -2.2314 3.0469 -2.4851 H 1 UNL111111111 0.1731 79 H -4.3901 3.0708 -1.0130 H 1 UNL111111111 0.1479 80 H -2.3296 3.9043 1.1413 H 1 UNL111111111 0.1409 81 H -4.0818 4.0972 1.2837 H 1 UNL111111111 0.1489 82 H -3.3826 2.4840 1.1904 H 1 UNL111111111 0.1445 83 H -3.5659 5.0725 -2.2870 H 1 UNL111111111 0.1446 84 H -4.2560 5.5693 -0.7411 H 1 UNL111111111 0.1454 85 H -2.5023 5.5248 -0.9493 H 1 UNL111111111 0.1419 86 H -2.9820 -0.2492 -2.6972 H 1 UNL111111111 0.1767 87 H -4.5427 2.0314 -3.0235 H 1 UNL111111111 0.3401 88 H -3.5761 -1.1568 -0.3955 H 1 UNL111111111 0.3567 89 H -7.1897 -0.2453 -0.5733 H 1 UNL111111111 0.1944 90 H -8.8516 -1.1035 1.0256 H 1 UNL111111111 0.1535 91 H -8.9188 -3.6374 2.7448 H 1 UNL111111111 0.1584 92 H -7.9957 -3.0117 4.1188 H 1 UNL111111111 0.1507 93 H -9.2257 -2.0030 3.3534 H 1 UNL111111111 0.1551 94 H -5.7703 -3.2154 3.1464 H 1 UNL111111111 0.1522 95 H -3.0274 -1.5964 1.7618 H 1 UNL111111111 0.1699 96 H -3.5297 -3.1163 2.5046 H 1 UNL111111111 0.1507 97 H -3.2954 -3.0279 0.7585 H 1 UNL111111111 0.1697 @BOND 1 1 2 2 2 2 3 1 3 3 4 1 4 4 5 1 5 4 46 1 6 4 47 1 7 5 6 ar 8 6 7 ar 9 6 48 1 10 7 49 1 11 8 7 ar 12 8 50 1 13 9 8 ar 14 9 51 1 15 10 5 ar 16 10 9 ar 17 10 52 1 18 11 2 am 19 11 53 1 20 12 11 1 21 12 54 1 22 13 12 1 23 14 13 2 24 15 12 1 25 15 55 1 26 15 56 1 27 16 15 1 28 16 18 1 29 16 57 1 30 17 16 1 31 17 58 1 32 17 59 1 33 17 60 1 34 18 61 1 35 18 62 1 36 18 63 1 37 19 13 am 38 19 64 1 39 20 23 1 40 20 19 1 41 20 65 1 42 21 22 2 43 21 20 1 44 23 24 1 45 23 66 1 46 23 67 1 47 24 25 1 48 24 68 1 49 25 69 1 50 25 70 1 51 25 71 1 52 26 24 1 53 26 72 1 54 26 73 1 55 26 74 1 56 27 21 am 57 27 75 1 58 28 27 1 59 28 76 1 60 29 30 1 61 29 28 1 62 29 77 1 63 29 78 1 64 30 31 1 65 30 79 1 66 31 80 1 67 31 81 1 68 31 82 1 69 32 30 1 70 32 83 1 71 32 84 1 72 32 85 1 73 33 28 1 74 33 34 1 75 33 86 1 76 34 87 1 77 35 33 1 78 35 37 am 79 36 35 2 80 37 38 1 81 37 88 1 82 38 44 ar 83 39 40 ar 84 39 38 ar 85 39 89 1 86 40 41 ar 87 40 90 1 88 41 42 1 89 41 43 ar 90 42 91 1 91 42 92 1 92 42 93 1 93 43 94 1 94 44 43 ar 95 44 45 1 96 45 95 1 97 45 96 1 98 45 97 1