@MOLECULE (2r,3r,4r,5r)-2,5-bis(benzyloxy)-3,4-dihydroxy-n,n'-bis{(2s)-3-methyl-1-oxo-1-[(2-pyridinylmethyl)amino]-2-butanyl}hexanediamide 108 111 0 0 0 SMALL GASTEIGER @ATOM 1 C 0.6682 -2.9002 -2.8475 C.ar 1 UNL1111111111 -0.0587 2 C -0.4588 -2.5213 -3.5810 C.ar 1 UNL1111111111 -0.1366 3 C -1.6689 -3.1817 -3.3868 C.ar 1 UNL1111111111 -0.1585 4 C -1.7541 -4.2213 -2.4615 C.ar 1 UNL1111111111 -0.1512 5 C -0.6292 -4.6013 -1.7323 C.ar 1 UNL1111111111 -0.1478 6 C 0.5842 -3.9424 -1.9252 C.ar 1 UNL1111111111 -0.1491 7 C -0.6531 2.9486 -2.7704 C.ar 1 UNL1111111111 -0.0587 8 C 0.4590 2.5549 -3.5184 C.ar 1 UNL1111111111 -0.1367 9 C 1.6768 3.2079 -3.3489 C.ar 1 UNL1111111111 -0.1584 10 C 1.7843 4.2546 -2.4342 C.ar 1 UNL1111111111 -0.1513 11 C 0.6753 4.6455 -1.6868 C.ar 1 UNL1111111111 -0.1487 12 C -0.5455 3.9937 -1.8542 C.ar 1 UNL1111111111 -0.1492 13 C -1.9402 2.1968 -2.9300 C.3 1 UNL1111111111 -0.0595 14 O -1.7579 0.8652 -2.4633 O.3 1 UNL1111111111 -0.3562 15 C -1.7655 0.7392 -1.0530 C.3 1 UNL1111111111 -0.0416 16 C -0.6904 -0.3310 -0.7856 C.3 1 UNL1111111111 0.0743 17 C 0.7083 0.3219 -0.7792 C.3 1 UNL1111111111 0.0729 18 C 1.7866 -0.7297 -1.0997 C.3 1 UNL1111111111 -0.0419 19 C 3.2346 -0.3653 -0.7490 C.2 1 UNL1111111111 0.5564 20 O 4.1082 -1.2124 -0.8585 O.2 1 UNL1111111111 -0.5838 21 N 3.5219 0.9080 -0.3413 N.am 1 UNL1111111111 -0.5673 22 C 4.8983 1.3062 -0.0558 C.3 1 UNL1111111111 -0.0100 23 C 5.1120 2.8304 -0.2456 C.3 1 UNL1111111111 -0.0663 24 C 5.1481 3.1553 -1.7414 C.3 1 UNL1111111111 -0.4606 25 C 4.0540 3.6752 0.4664 C.3 1 UNL1111111111 -0.4604 26 C 5.2743 0.9005 1.3897 C.2 1 UNL1111111111 0.5436 27 O 5.5097 1.7066 2.2670 O.2 1 UNL1111111111 -0.5504 28 N 5.3408 -0.4522 1.6157 N.am 1 UNL1111111111 -0.5859 29 C 5.7681 -0.9635 2.9167 C.3 1 UNL1111111111 -0.0721 30 O 1.7591 -0.8143 -2.5127 O.3 1 UNL1111111111 -0.3553 31 C 1.9436 -2.1314 -3.0203 C.3 1 UNL1111111111 -0.0595 32 O 0.9262 0.9309 0.4696 O.3 1 UNL1111111111 -0.5548 33 O -0.8996 -0.9916 0.4377 O.3 1 UNL1111111111 -0.5542 34 C -3.2131 0.3803 -0.6961 C.2 1 UNL1111111111 0.5568 35 O -4.0786 1.2392 -0.7744 O.2 1 UNL1111111111 -0.5846 36 N -3.5112 -0.9013 -0.3240 N.am 1 UNL1111111111 -0.5675 37 C -4.8920 -1.2982 -0.0596 C.3 1 UNL1111111111 -0.0100 38 C -5.1129 -2.8155 -0.2911 C.3 1 UNL1111111111 -0.0665 39 C -5.1477 -3.0994 -1.7950 C.3 1 UNL1111111111 -0.4607 40 C -4.0609 -3.6836 0.4012 C.3 1 UNL1111111111 -0.4603 41 C -5.2830 -0.9274 1.3913 C.2 1 UNL1111111111 0.5440 42 O -5.5328 -1.7543 2.2449 O.2 1 UNL1111111111 -0.5508 43 N -5.3538 0.4195 1.6473 N.am 1 UNL1111111111 -0.5856 44 C -5.8029 0.9020 2.9516 C.3 1 UNL1111111111 -0.0723 45 C -7.3090 1.0752 2.9629 C.ar 1 UNL1111111111 0.1529 46 C -8.1697 -0.0285 2.8799 C.ar 1 UNL1111111111 -0.2295 47 C -9.5424 0.1996 2.8897 C.ar 1 UNL1111111111 -0.0814 48 C -10.0175 1.5070 2.9877 C.ar 1 UNL1111111111 -0.2474 49 C -9.0882 2.5508 3.0760 C.ar 1 UNL1111111111 0.0556 50 N -7.7585 2.3413 3.0630 N.ar 1 UNL1111111111 -0.3909 51 C 7.2752 -1.1247 2.9585 C.ar 1 UNL1111111111 0.1522 52 C 8.1282 -0.0122 2.9316 C.ar 1 UNL1111111111 -0.2293 53 C 9.5023 -0.2292 2.9718 C.ar 1 UNL1111111111 -0.0816 54 C 9.9861 -1.5349 3.0427 C.ar 1 UNL1111111111 -0.2471 55 C 9.0640 -2.5886 3.0731 C.ar 1 UNL1111111111 0.0554 56 N 7.7334 -2.3896 3.0309 N.ar 1 UNL1111111111 -0.3909 57 H -0.3922 -1.7000 -4.2944 H 1 UNL1111111111 0.1618 58 H -2.5470 -2.8848 -3.9575 H 1 UNL1111111111 0.1516 59 H -2.7005 -4.7385 -2.3104 H 1 UNL1111111111 0.1525 60 H -0.6977 -5.4125 -1.0098 H 1 UNL1111111111 0.1516 61 H 1.4616 -4.2434 -1.3542 H 1 UNL1111111111 0.1567 62 H 0.3753 1.7278 -4.2234 H 1 UNL1111111111 0.1625 63 H 2.5430 2.9000 -3.9317 H 1 UNL1111111111 0.1518 64 H 2.7357 4.7686 -2.3051 H 1 UNL1111111111 0.1524 65 H 0.7621 5.4607 -0.9708 H 1 UNL1111111111 0.1515 66 H -1.4098 4.3029 -1.2680 H 1 UNL1111111111 0.1568 67 H -2.2054 2.0251 -3.9933 H 1 UNL1111111111 0.1548 68 H -2.8053 2.6700 -2.4256 H 1 UNL1111111111 0.1578 69 H -1.5073 1.6974 -0.5364 H 1 UNL1111111111 0.1752 70 H -0.7516 -1.1555 -1.5422 H 1 UNL1111111111 0.1860 71 H 0.7604 1.1780 -1.5006 H 1 UNL1111111111 0.1856 72 H 1.5445 -1.7053 -0.6085 H 1 UNL1111111111 0.1751 73 H 2.7904 1.5889 -0.1609 H 1 UNL1111111111 0.3431 74 H 5.5911 0.7563 -0.7590 H 1 UNL1111111111 0.1778 75 H 6.1099 3.0769 0.2061 H 1 UNL1111111111 0.1583 76 H 5.2567 4.2326 -1.9085 H 1 UNL1111111111 0.1472 77 H 5.9870 2.6604 -2.2441 H 1 UNL1111111111 0.1464 78 H 4.2288 2.8305 -2.2444 H 1 UNL1111111111 0.1519 79 H 3.0722 3.6232 -0.0150 H 1 UNL1111111111 0.1410 80 H 3.9410 3.3616 1.5159 H 1 UNL1111111111 0.1730 81 H 4.3469 4.7316 0.4854 H 1 UNL1111111111 0.1484 82 H 5.2050 -1.1236 0.8630 H 1 UNL1111111111 0.3475 83 H 5.4466 -0.2641 3.7302 H 1 UNL1111111111 0.1761 84 H 5.2626 -1.9429 3.1061 H 1 UNL1111111111 0.1692 85 H 2.1811 -1.9283 -4.0845 H 1 UNL1111111111 0.1547 86 H 2.8254 -2.6083 -2.5494 H 1 UNL1111111111 0.1575 87 H 1.0983 0.2623 1.1705 H 1 UNL1111111111 0.3321 88 H -1.0507 -0.3515 1.1702 H 1 UNL1111111111 0.3321 89 H -2.7853 -1.5950 -0.1726 H 1 UNL1111111111 0.3432 90 H -5.5747 -0.7262 -0.7552 H 1 UNL1111111111 0.1774 91 H -6.1136 -3.0691 0.1509 H 1 UNL1111111111 0.1587 92 H -4.2259 -2.7687 -2.2882 H 1 UNL1111111111 0.1515 93 H -5.2643 -4.1707 -1.9914 H 1 UNL1111111111 0.1473 94 H -5.9817 -2.5851 -2.2850 H 1 UNL1111111111 0.1464 95 H -3.9459 -3.3934 1.4567 H 1 UNL1111111111 0.1726 96 H -4.3600 -4.7381 0.3974 H 1 UNL1111111111 0.1485 97 H -3.0787 -3.6266 -0.0786 H 1 UNL1111111111 0.1410 98 H -5.1973 1.1082 0.9144 H 1 UNL1111111111 0.3481 99 H -5.5046 0.1788 3.7531 H 1 UNL1111111111 0.1764 100 H -5.2936 1.8719 3.1763 H 1 UNL1111111111 0.1693 101 H -7.7609 -1.0380 2.8134 H 1 UNL1111111111 0.1916 102 H -10.2384 -0.6356 2.8246 H 1 UNL1111111111 0.1552 103 H -11.0825 1.7151 2.9975 H 1 UNL1111111111 0.1633 104 H -9.4021 3.5971 3.1602 H 1 UNL1111111111 0.1676 105 H 7.7127 0.9958 2.8838 H 1 UNL1111111111 0.1920 106 H 10.1922 0.6134 2.9518 H 1 UNL1111111111 0.1554 107 H 11.0521 -1.7347 3.0753 H 1 UNL1111111111 0.1634 108 H 9.3853 -3.6342 3.1329 H 1 UNL1111111111 0.1676 @BOND 1 1 2 ar 2 1 6 ar 3 1 31 1 4 2 3 ar 5 2 57 1 6 3 4 ar 7 3 58 1 8 4 5 ar 9 4 59 1 10 5 6 ar 11 5 60 1 12 6 61 1 13 7 8 ar 14 7 12 ar 15 7 13 1 16 8 9 ar 17 8 62 1 18 9 10 ar 19 9 63 1 20 10 11 ar 21 10 64 1 22 11 12 ar 23 11 65 1 24 12 66 1 25 13 14 1 26 13 67 1 27 13 68 1 28 14 15 1 29 15 16 1 30 15 34 1 31 15 69 1 32 16 17 1 33 16 33 1 34 16 70 1 35 17 18 1 36 17 32 1 37 17 71 1 38 18 19 1 39 18 30 1 40 18 72 1 41 19 20 2 42 19 21 am 43 21 22 1 44 21 73 1 45 22 23 1 46 22 26 1 47 22 74 1 48 23 24 1 49 23 25 1 50 23 75 1 51 24 76 1 52 24 77 1 53 24 78 1 54 25 79 1 55 25 80 1 56 25 81 1 57 26 27 2 58 26 28 am 59 28 29 1 60 28 82 1 61 29 51 1 62 29 83 1 63 29 84 1 64 30 31 1 65 31 85 1 66 31 86 1 67 32 87 1 68 33 88 1 69 34 35 2 70 34 36 am 71 36 37 1 72 36 89 1 73 37 38 1 74 37 41 1 75 37 90 1 76 38 39 1 77 38 40 1 78 38 91 1 79 39 92 1 80 39 93 1 81 39 94 1 82 40 95 1 83 40 96 1 84 40 97 1 85 41 42 2 86 41 43 am 87 43 44 1 88 43 98 1 89 44 45 1 90 44 99 1 91 44 100 1 92 45 46 ar 93 45 50 ar 94 46 47 ar 95 46 101 1 96 47 48 ar 97 47 102 1 98 48 49 ar 99 48 103 1 100 49 50 ar 101 49 104 1 102 51 52 ar 103 51 56 ar 104 52 53 ar 105 52 105 1 106 53 54 ar 107 53 106 1 108 54 55 ar 109 54 107 1 110 55 56 ar 111 55 108 1