@MOLECULE (2r,3r)-n~1~-[(2s)-3,3-dimethyl-1-(methylamino)-1-oxo-2-butanyl]-n~4~-hydroxy-2-isobutyl-3-{[(1,3-thiazol-2-ylcarbonyl)amino]methyl}succinamide 64 64 0 0 0 SMALL GASTEIGER @ATOM 1 O -5.4951 -0.9821 -0.0990 O.2 1 UNL1111111111 -0.5492 2 C -4.4030 -0.9894 -0.6284 C.2 1 UNL1111111111 0.5453 3 N -4.2061 -0.4861 -1.8924 N.am 1 UNL1111111111 -0.5787 4 C -5.2960 0.1924 -2.5904 C.3 1 UNL1111111111 -0.2263 5 C -3.1188 -1.5655 0.0141 C.3 1 UNL1111111111 -0.0299 6 C -3.4026 -2.6232 1.1236 C.3 1 UNL1111111111 0.1270 7 C -4.1181 -2.0170 2.3346 C.3 1 UNL1111111111 -0.4739 8 C -2.0563 -3.2225 1.5671 C.3 1 UNL1111111111 -0.4645 9 C -4.2702 -3.7309 0.5112 C.3 1 UNL1111111111 -0.4776 10 N -2.3479 -0.4352 0.5357 N.am 1 UNL1111111111 -0.6006 11 C -1.5016 0.2622 -0.3001 C.2 1 UNL1111111111 0.5769 12 O -1.3712 -0.0649 -1.4653 O.2 1 UNL1111111111 -0.5593 13 C -0.7356 1.4149 0.3293 C.3 1 UNL1111111111 -0.1767 14 C -1.0494 2.6788 -0.4875 C.3 1 UNL1111111111 -0.2883 15 C -2.5546 3.0105 -0.5016 C.3 1 UNL1111111111 -0.0622 16 C -3.0681 3.3413 0.9030 C.3 1 UNL1111111111 -0.4530 17 C -2.7957 4.1977 -1.4422 C.3 1 UNL1111111111 -0.4558 18 C 0.7614 1.0698 0.2790 C.3 1 UNL1111111111 -0.2328 19 C 1.5537 2.1811 0.9480 C.2 1 UNL1111111111 0.5209 20 O 1.1318 2.8374 1.8763 O.2 1 UNL1111111111 -0.5101 21 N 2.7746 2.5152 0.3429 N.am 1 UNL1111111111 -0.3955 22 O 3.6261 3.2784 1.1486 O.3 1 UNL1111111111 -0.2893 23 C 1.0439 -0.2537 1.0440 C.3 1 UNL1111111111 -0.0713 24 N 2.4693 -0.5769 0.9854 N.am 1 UNL1111111111 -0.5801 25 C 2.9442 -1.3318 -0.0750 C.2 1 UNL1111111111 0.5777 26 O 2.2395 -2.0678 -0.7260 O.2 1 UNL1111111111 -0.4563 27 C 4.3933 -1.1392 -0.3475 C.ar 1 UNL1111111111 -0.1086 28 N 4.9127 0.0806 -0.3811 N.ar 1 UNL1111111111 -0.3759 29 C 6.2589 0.0509 -0.7066 C.ar 1 UNL1111111111 0.0022 30 C 6.7737 -1.2070 -0.9216 C.ar 1 UNL1111111111 -0.3545 31 S 5.5390 -2.3960 -0.7270 S.2 1 UNL1111111111 0.3655 32 H -3.2675 -0.3762 -2.2658 H 1 UNL1111111111 0.3378 33 H -2.5133 -2.0761 -0.7925 H 1 UNL1111111111 0.1823 34 H -6.2783 -0.1689 -2.2265 H 1 UNL1111111111 0.1711 35 H -5.2607 1.2836 -2.4282 H 1 UNL1111111111 0.1347 36 H -5.2334 -0.0123 -3.6726 H 1 UNL1111111111 0.1423 37 H -2.5634 -0.1306 1.4725 H 1 UNL1111111111 0.3224 38 H -3.4888 -1.3223 2.8952 H 1 UNL1111111111 0.1340 39 H -5.0316 -1.4817 2.0292 H 1 UNL1111111111 0.1818 40 H -4.4352 -2.7989 3.0341 H 1 UNL1111111111 0.1493 41 H -1.5296 -3.6983 0.7317 H 1 UNL1111111111 0.1513 42 H -1.3882 -2.4620 1.9832 H 1 UNL1111111111 0.1450 43 H -2.2032 -3.9874 2.3369 H 1 UNL1111111111 0.1476 44 H -3.8246 -4.1514 -0.3953 H 1 UNL1111111111 0.1465 45 H -4.4175 -4.5543 1.2179 H 1 UNL1111111111 0.1503 46 H -5.2699 -3.3541 0.2486 H 1 UNL1111111111 0.1723 47 H -1.0341 1.5910 1.3938 H 1 UNL1111111111 0.1757 48 H -0.4835 3.5377 -0.0748 H 1 UNL1111111111 0.1604 49 H -0.6932 2.5465 -1.5300 H 1 UNL1111111111 0.1595 50 H 1.0662 0.9436 -0.7940 H 1 UNL1111111111 0.1962 51 H -3.1204 2.1300 -0.8953 H 1 UNL1111111111 0.1342 52 H -2.4623 4.1225 1.3778 H 1 UNL1111111111 0.1527 53 H -4.1029 3.7016 0.8717 H 1 UNL1111111111 0.1469 54 H -3.0525 2.4666 1.5599 H 1 UNL1111111111 0.1351 55 H -3.8605 4.4488 -1.4982 H 1 UNL1111111111 0.1446 56 H -2.2653 5.0937 -1.1017 H 1 UNL1111111111 0.1473 57 H -2.4565 3.9771 -2.4602 H 1 UNL1111111111 0.1440 58 H 0.7371 -0.1662 2.1110 H 1 UNL1111111111 0.1580 59 H 0.4493 -1.0900 0.5944 H 1 UNL1111111111 0.1903 60 H 3.3829 1.8187 -0.0839 H 1 UNL1111111111 0.3317 61 H 3.0711 4.0666 1.4460 H 1 UNL1111111111 0.3078 62 H 3.0887 0.0700 1.4621 H 1 UNL1111111111 0.3191 63 H 6.7874 0.9978 -0.7631 H 1 UNL1111111111 0.1895 64 H 7.7900 -1.4504 -1.1767 H 1 UNL1111111111 0.1932 @BOND 1 1 2 2 2 2 3 am 3 2 5 1 4 3 4 1 5 3 32 1 6 4 34 1 7 4 35 1 8 4 36 1 9 5 6 1 10 5 10 1 11 5 33 1 12 6 7 1 13 6 8 1 14 6 9 1 15 7 38 1 16 7 39 1 17 7 40 1 18 8 41 1 19 8 42 1 20 8 43 1 21 9 44 1 22 9 45 1 23 9 46 1 24 10 11 am 25 10 37 1 26 11 12 2 27 11 13 1 28 13 14 1 29 13 18 1 30 13 47 1 31 14 15 1 32 14 48 1 33 14 49 1 34 15 16 1 35 15 17 1 36 15 51 1 37 16 52 1 38 16 53 1 39 16 54 1 40 17 55 1 41 17 56 1 42 17 57 1 43 18 19 1 44 18 23 1 45 18 50 1 46 19 20 2 47 19 21 am 48 21 22 1 49 21 60 1 50 22 61 1 51 23 24 1 52 23 58 1 53 23 59 1 54 24 25 am 55 24 62 1 56 25 26 2 57 25 27 1 58 27 28 ar 59 27 31 ar 60 28 29 ar 61 29 30 ar 62 29 63 1 63 30 31 ar 64 30 64 1