@MOLECULE n~2~-{[(2-isopropyl-1,3-thiazol-4-yl)methyl](methyl)carbamoyl}-n-(4-{[(1,3-thiazol-5-ylmethoxy)carbonyl]amino}butyl)-l-valinamide 71 72 0 0 0 SMALL GASTEIGER @ATOM 1 O 5.1478 0.4713 1.1581 O.2 1 UNL1111111111 -0.5503 2 C 5.1896 0.5701 -0.0475 C.2 1 UNL1111111111 0.7132 3 O 6.0319 1.4305 -0.7159 O.3 1 UNL1111111111 -0.4420 4 C 7.1191 1.9383 0.0614 C.3 1 UNL1111111111 0.0188 5 C 8.2041 0.9370 0.0775 C.ar 1 UNL1111111111 -0.2642 6 S 8.5913 -0.0743 1.4445 S.2 1 UNL1111111111 0.2255 7 C 9.8517 -0.8647 0.4916 C.ar 1 UNL1111111111 -0.0588 8 N 9.9426 -0.4007 -0.7329 N.ar 1 UNL1111111111 -0.3526 9 C 9.0202 0.6130 -0.9788 C.ar 1 UNL1111111111 0.0052 10 N 4.4517 -0.1328 -0.9636 N.am 1 UNL1111111111 -0.5822 11 C 3.3380 -0.9684 -0.4998 C.3 1 UNL1111111111 -0.0535 12 C 1.9837 -0.2933 -0.7807 C.3 1 UNL1111111111 -0.3101 13 C 0.8503 -1.1910 -0.2852 C.3 1 UNL1111111111 -0.2911 14 C -0.5149 -0.6020 -0.6962 C.3 1 UNL1111111111 -0.0496 15 N -1.5927 -1.3975 -0.1069 N.am 1 UNL1111111111 -0.5968 16 C -2.1466 -2.4469 -0.7954 C.2 1 UNL1111111111 0.5495 17 O -1.7756 -2.7667 -1.9061 O.2 1 UNL1111111111 -0.5485 18 C -3.2641 -3.1929 -0.0234 C.3 1 UNL1111111111 -0.0018 19 C -3.5154 -4.5839 -0.6523 C.3 1 UNL1111111111 -0.0760 20 C -2.2479 -5.4331 -0.5121 C.3 1 UNL1111111111 -0.4543 21 C -4.6862 -5.2824 0.0452 C.3 1 UNL1111111111 -0.4522 22 N -4.4608 -2.3495 -0.0869 N.am 1 UNL1111111111 -0.6103 23 C -4.6466 -1.3955 0.8976 C.2 1 UNL1111111111 0.7068 24 O -3.7932 -1.2124 1.7591 O.2 1 UNL1111111111 -0.6183 25 N -5.8724 -0.6961 0.9235 N.am 1 UNL1111111111 -0.4469 26 C -6.5836 -0.4976 -0.3498 C.3 1 UNL1111111111 -0.2516 27 C -5.8382 0.5010 1.7904 C.3 1 UNL1111111111 -0.0624 28 C -4.9400 1.5669 1.2398 C.ar 1 UNL1111111111 0.0711 29 N -5.4747 2.4632 0.3059 N.ar 1 UNL1111111111 -0.4111 30 C -3.6135 1.7341 1.5234 C.ar 1 UNL1111111111 -0.3172 31 S -2.9721 3.0549 0.5998 S.2 1 UNL1111111111 0.1451 32 C -4.5838 3.3124 -0.1432 C.ar 1 UNL1111111111 0.0947 33 C -4.8837 4.3604 -1.1594 C.3 1 UNL1111111111 -0.0759 34 C -4.6047 5.7580 -0.5980 C.3 1 UNL1111111111 -0.4474 35 C -4.0821 4.1052 -2.4404 C.3 1 UNL1111111111 -0.4458 36 H 7.3894 2.8517 -0.5144 H 1 UNL1111111111 0.1591 37 H 6.7570 2.2431 1.0656 H 1 UNL1111111111 0.1626 38 H 10.4821 -1.6553 0.8786 H 1 UNL1111111111 0.1903 39 H 9.0149 1.0567 -1.9689 H 1 UNL1111111111 0.1846 40 H 4.5119 0.0777 -1.9475 H 1 UNL1111111111 0.3232 41 H 3.4042 -1.9511 -1.0226 H 1 UNL1111111111 0.1463 42 H 3.4515 -1.1742 0.5925 H 1 UNL1111111111 0.1691 43 H 1.9421 0.6933 -0.2794 H 1 UNL1111111111 0.1521 44 H 1.8735 -0.0907 -1.8624 H 1 UNL1111111111 0.1438 45 H 0.9440 -2.2127 -0.7040 H 1 UNL1111111111 0.1545 46 H 0.8975 -1.3088 0.8138 H 1 UNL1111111111 0.1501 47 H -0.6085 0.4519 -0.3554 H 1 UNL1111111111 0.1362 48 H -0.6088 -0.6006 -1.8087 H 1 UNL1111111111 0.1571 49 H -1.9894 -1.0945 0.7770 H 1 UNL1111111111 0.3400 50 H -2.9500 -3.3240 1.0513 H 1 UNL1111111111 0.1814 51 H -3.7432 -4.4556 -1.7398 H 1 UNL1111111111 0.1545 52 H -1.9355 -5.5371 0.5317 H 1 UNL1111111111 0.1443 53 H -2.4032 -6.4409 -0.9130 H 1 UNL1111111111 0.1480 54 H -1.4106 -4.9944 -1.0746 H 1 UNL1111111111 0.1675 55 H -5.6267 -4.7353 -0.0716 H 1 UNL1111111111 0.1407 56 H -4.8417 -6.2877 -0.3631 H 1 UNL1111111111 0.1479 57 H -4.5060 -5.3913 1.1218 H 1 UNL1111111111 0.1520 58 H -5.1452 -2.5570 -0.7918 H 1 UNL1111111111 0.3239 59 H -5.9306 -0.1404 -1.1641 H 1 UNL1111111111 0.1444 60 H -7.0737 -1.4404 -0.6454 H 1 UNL1111111111 0.1455 61 H -7.3789 0.2624 -0.2284 H 1 UNL1111111111 0.1707 62 H -6.8827 0.8781 1.9088 H 1 UNL1111111111 0.1687 63 H -5.4906 0.1837 2.8076 H 1 UNL1111111111 0.1805 64 H -3.0203 1.1368 2.1995 H 1 UNL1111111111 0.2102 65 H -5.9818 4.2950 -1.4112 H 1 UNL1111111111 0.1703 66 H -3.5360 5.9384 -0.4361 H 1 UNL1111111111 0.1533 67 H -4.9604 6.5326 -1.2885 H 1 UNL1111111111 0.1528 68 H -5.1174 5.9149 0.3596 H 1 UNL1111111111 0.1545 69 H -4.4014 4.7836 -3.2408 H 1 UNL1111111111 0.1518 70 H -3.0066 4.2603 -2.2981 H 1 UNL1111111111 0.1542 71 H -4.2253 3.0799 -2.8044 H 1 UNL1111111111 0.1550 @BOND 1 1 2 2 2 2 3 1 3 2 10 am 4 4 3 1 5 4 5 1 6 4 36 1 7 4 37 1 8 5 6 ar 9 6 7 ar 10 7 38 1 11 8 7 ar 12 9 5 ar 13 9 8 ar 14 9 39 1 15 10 40 1 16 11 10 1 17 11 41 1 18 11 42 1 19 12 11 1 20 12 43 1 21 12 44 1 22 13 12 1 23 13 45 1 24 13 46 1 25 14 15 1 26 14 13 1 27 14 47 1 28 14 48 1 29 15 49 1 30 16 15 am 31 16 18 1 32 17 16 2 33 18 19 1 34 18 50 1 35 19 20 1 36 19 51 1 37 20 52 1 38 20 53 1 39 20 54 1 40 21 19 1 41 21 55 1 42 21 56 1 43 21 57 1 44 22 18 1 45 22 58 1 46 23 22 am 47 24 23 2 48 25 27 1 49 25 23 am 50 26 25 1 51 26 59 1 52 26 60 1 53 26 61 1 54 27 62 1 55 27 63 1 56 28 29 ar 57 28 27 1 58 30 28 ar 59 30 64 1 60 31 30 ar 61 31 32 ar 62 32 29 ar 63 33 32 1 64 33 34 1 65 33 35 1 66 33 65 1 67 34 66 1 68 34 67 1 69 34 68 1 70 35 69 1 71 35 70 1 72 35 71 1