@MOLECULE n-[(benzyloxy)carbonyl]-o-(2-methyl-2-propanyl)-l-threonyl-n-{(2r)-5-cyclopropyl-5-oxo-1-[(3s)-2-oxo-3-pyrrolidinyl]-2-pentanyl}-l-leucinamide 97 99 0 0 0 SMALL GASTEIGER @ATOM 1 C 4.6775 0.1064 -1.2557 C.2 1 UNL1111111111 0.7169 2 O 4.4017 0.7532 -2.2450 O.2 1 UNL1111111111 -0.5744 3 O 5.8543 0.2200 -0.5666 O.3 1 UNL1111111111 -0.4135 4 C 6.7712 1.1602 -1.1526 C.3 1 UNL1111111111 -0.0204 5 C 7.8975 1.2763 -0.1743 C.ar 1 UNL1111111111 -0.0260 6 C 8.2615 0.1907 0.6222 C.ar 1 UNL1111111111 -0.1327 7 C 9.3214 0.3150 1.5186 C.ar 1 UNL1111111111 -0.1467 8 C 10.0198 1.5172 1.6149 C.ar 1 UNL1111111111 -0.1544 9 C 9.6557 2.6000 0.8154 C.ar 1 UNL1111111111 -0.1431 10 C 8.5931 2.4832 -0.0772 C.ar 1 UNL1111111111 -0.1653 11 N 3.9065 -0.8877 -0.7020 N.am 1 UNL1111111111 -0.5421 12 C 2.5389 -1.0340 -1.1781 C.3 1 UNL1111111111 -0.0368 13 C 1.5933 -0.2620 -0.2423 C.2 1 UNL1111111111 0.5527 14 O 1.8951 0.0810 0.8806 O.2 1 UNL1111111111 -0.5270 15 C 2.1309 -2.5440 -1.1835 C.3 1 UNL1111111111 0.1368 16 O 2.5322 -3.0614 0.0637 O.3 1 UNL1111111111 -0.4490 17 C 2.9062 -3.2986 -2.2612 C.3 1 UNL1111111111 -0.4794 18 C 1.5727 -3.7573 0.8561 C.3 1 UNL1111111111 0.3512 19 C 1.0321 -4.9745 0.0999 C.3 1 UNL1111111111 -0.5109 20 C 2.4371 -4.1837 2.0521 C.3 1 UNL1111111111 -0.4796 21 C 0.4438 -2.8259 1.2977 C.3 1 UNL1111111111 -0.5204 22 N 0.3517 0.0137 -0.7713 N.am 1 UNL1111111111 -0.6043 23 C -0.6618 0.6918 0.0340 C.3 1 UNL1111111111 0.0092 24 C -2.0136 0.0391 -0.3125 C.2 1 UNL1111111111 0.5433 25 O -2.1873 -0.5607 -1.3545 O.2 1 UNL1111111111 -0.5379 26 C -0.7488 2.1924 -0.3104 C.3 1 UNL1111111111 -0.3138 27 C 0.3301 3.0023 0.4326 C.3 1 UNL1111111111 -0.0538 28 C 0.4651 4.3855 -0.2139 C.3 1 UNL1111111111 -0.4580 29 C -0.0182 3.1464 1.9183 C.3 1 UNL1111111111 -0.4555 30 C -6.0726 4.3810 -0.6844 C.3 1 UNL1111111111 -0.3001 31 C -7.2438 5.3447 -0.6013 C.3 1 UNL1111111111 -0.2753 32 C -5.9125 5.7453 -0.0347 C.3 1 UNL1111111111 -0.2777 33 C -6.0835 3.1874 0.2097 C.2 1 UNL1111111111 0.4903 34 C -5.2931 2.0005 -0.2718 C.3 1 UNL1111111111 -0.3745 35 C -5.3752 0.8382 0.7197 C.3 1 UNL1111111111 -0.2840 36 C -4.3802 -0.2708 0.3347 C.3 1 UNL1111111111 0.0959 37 C -4.6198 -1.5736 1.1329 C.3 1 UNL1111111111 -0.3140 38 C -5.9759 -2.2160 0.8411 C.3 1 UNL1111111111 -0.1856 39 C -6.0848 -3.6207 1.4786 C.3 1 UNL1111111111 -0.2970 40 C -6.0145 -4.6307 0.3033 C.3 1 UNL1111111111 -0.0623 41 N -6.1778 -3.8163 -0.9072 N.am 1 UNL1111111111 -0.6077 42 C -6.1646 -2.4596 -0.6561 C.2 1 UNL1111111111 0.5843 43 O -6.3084 -1.6297 -1.5232 O.2 1 UNL1111111111 -0.5290 44 O -6.6764 3.1828 1.2608 O.2 1 UNL1111111111 -0.4701 45 N -3.0102 0.1942 0.6193 N.am 1 UNL1111111111 -0.6156 46 H 7.1044 0.7522 -2.1275 H 1 UNL1111111111 0.1482 47 H 6.2420 2.1188 -1.3235 H 1 UNL1111111111 0.1555 48 H 7.7147 -0.7497 0.5474 H 1 UNL1111111111 0.1668 49 H 9.6034 -0.5293 2.1442 H 1 UNL1111111111 0.1482 50 H 10.8473 1.6117 2.3140 H 1 UNL1111111111 0.1472 51 H 10.1996 3.5390 0.8921 H 1 UNL1111111111 0.1471 52 H 8.3074 3.3331 -0.6934 H 1 UNL1111111111 0.1521 53 H 4.1188 -1.2975 0.2021 H 1 UNL1111111111 0.3464 54 H 2.4596 -0.6281 -2.2275 H 1 UNL1111111111 0.1903 55 H 1.0338 -2.6333 -1.3407 H 1 UNL1111111111 0.1302 56 H 3.9900 -3.2140 -2.0935 H 1 UNL1111111111 0.1720 57 H 2.6660 -4.3672 -2.2384 H 1 UNL1111111111 0.1539 58 H 2.6913 -2.9185 -3.2643 H 1 UNL1111111111 0.1527 59 H 1.8543 -5.5708 -0.3128 H 1 UNL1111111111 0.1579 60 H 0.4512 -5.6235 0.7622 H 1 UNL1111111111 0.1508 61 H 0.3812 -4.6869 -0.7317 H 1 UNL1111111111 0.1529 62 H 2.8407 -3.3053 2.5727 H 1 UNL1111111111 0.1649 63 H 1.8613 -4.7722 2.7695 H 1 UNL1111111111 0.1482 64 H 3.2950 -4.7814 1.7214 H 1 UNL1111111111 0.1587 65 H -0.1961 -2.5209 0.4632 H 1 UNL1111111111 0.1555 66 H -0.1956 -3.3049 2.0443 H 1 UNL1111111111 0.1501 67 H 0.8541 -1.9106 1.7518 H 1 UNL1111111111 0.1805 68 H 0.0724 -0.2480 -1.7091 H 1 UNL1111111111 0.3348 69 H -0.4182 0.5578 1.1249 H 1 UNL1111111111 0.1815 70 H -0.6330 2.3287 -1.4044 H 1 UNL1111111111 0.1594 71 H -1.7498 2.5916 -0.0664 H 1 UNL1111111111 0.1438 72 H 1.3107 2.4663 0.3453 H 1 UNL1111111111 0.1593 73 H -0.4707 4.9505 -0.1613 H 1 UNL1111111111 0.1418 74 H 1.2372 4.9794 0.2881 H 1 UNL1111111111 0.1457 75 H 0.7538 4.3077 -1.2680 H 1 UNL1111111111 0.1447 76 H 0.0052 2.1783 2.4312 H 1 UNL1111111111 0.1441 77 H 0.7119 3.7861 2.4289 H 1 UNL1111111111 0.1485 78 H -1.0053 3.5932 2.0662 H 1 UNL1111111111 0.1381 79 H -5.6099 4.2104 -1.6616 H 1 UNL1111111111 0.1729 80 H -7.6180 5.8080 -1.5095 H 1 UNL1111111111 0.1563 81 H -8.0665 5.1141 0.0772 H 1 UNL1111111111 0.1727 82 H -5.7886 5.8048 1.0466 H 1 UNL1111111111 0.1680 83 H -5.3105 6.5025 -0.5288 H 1 UNL1111111111 0.1563 84 H -5.6681 1.6725 -1.2677 H 1 UNL1111111111 0.1850 85 H -5.2048 1.1939 1.7541 H 1 UNL1111111111 0.1549 86 H -4.4654 -0.4918 -0.7709 H 1 UNL1111111111 0.1955 87 H -3.8046 -2.2867 0.8863 H 1 UNL1111111111 0.1609 88 H -4.5306 -1.3744 2.2177 H 1 UNL1111111111 0.1491 89 H -6.7992 -1.5562 1.2020 H 1 UNL1111111111 0.1705 90 H -5.2856 -3.8068 2.2120 H 1 UNL1111111111 0.1511 91 H -7.0352 -3.7260 2.0278 H 1 UNL1111111111 0.1500 92 H -5.0399 -5.1630 0.2833 H 1 UNL1111111111 0.1359 93 H -6.8152 -5.3946 0.3710 H 1 UNL1111111111 0.1358 94 H -6.2757 -4.2285 -1.8101 H 1 UNL1111111111 0.3254 95 H -2.8663 0.6986 1.4780 H 1 UNL1111111111 0.3130 96 H -4.2383 2.2998 -0.4423 H 1 UNL1111111111 0.1697 97 H -6.4082 0.4338 0.7214 H 1 UNL1111111111 0.1630 @BOND 1 1 2 2 2 1 3 1 3 3 4 1 4 4 5 1 5 4 46 1 6 4 47 1 7 5 6 ar 8 5 10 ar 9 6 7 ar 10 6 48 1 11 7 8 ar 12 7 49 1 13 8 9 ar 14 8 50 1 15 9 10 ar 16 9 51 1 17 10 52 1 18 11 1 am 19 11 53 1 20 12 15 1 21 12 11 1 22 12 54 1 23 13 14 2 24 13 12 1 25 15 17 1 26 15 16 1 27 15 55 1 28 16 18 1 29 17 56 1 30 17 57 1 31 17 58 1 32 18 19 1 33 18 20 1 34 18 21 1 35 19 59 1 36 19 60 1 37 19 61 1 38 20 62 1 39 20 63 1 40 20 64 1 41 21 65 1 42 21 66 1 43 21 67 1 44 22 13 am 45 22 68 1 46 23 26 1 47 23 22 1 48 23 69 1 49 24 25 2 50 24 23 1 51 26 27 1 52 26 70 1 53 26 71 1 54 27 28 1 55 27 29 1 56 27 72 1 57 28 73 1 58 28 74 1 59 28 75 1 60 29 76 1 61 29 77 1 62 29 78 1 63 30 31 1 64 30 32 1 65 30 33 1 66 30 79 1 67 31 32 1 68 31 80 1 69 31 81 1 70 32 82 1 71 32 83 1 72 33 34 1 73 33 44 2 74 34 35 1 75 34 84 1 76 34 96 1 77 35 36 1 78 35 85 1 79 35 97 1 80 36 37 1 81 36 45 1 82 36 86 1 83 37 38 1 84 37 87 1 85 37 88 1 86 38 39 1 87 38 42 1 88 38 89 1 89 39 40 1 90 39 90 1 91 39 91 1 92 40 41 1 93 40 92 1 94 40 93 1 95 41 42 am 96 41 94 1 97 42 43 2 98 45 24 am 99 45 95 1