@MOLECULE n-[(5-methyl-1,2-oxazol-3-yl)carbonyl]-l-alanyl-l-valyl-n-{(2s,3e)-5-(benzyloxy)-5-oxo-1-[(3s)-2-oxo-3-pyrrolidinyl]-3-penten-2-yl}-l-leucinamide 97 99 0 0 0 SMALL GASTEIGER @ATOM 1 N 9.9842 -1.3966 1.6452 N.ar 1 UNL1111111111 -0.2175 2 C 9.9860 -0.7446 0.4838 C.ar 1 UNL1111111111 -0.0149 3 C 11.2951 -0.1811 0.2469 C.ar 1 UNL1111111111 -0.2733 4 C 12.0317 -0.5538 1.3412 C.ar 1 UNL1111111111 0.1018 5 O 11.2285 -1.2969 2.1998 O.2 1 UNL1111111111 0.0422 6 C 8.8370 -0.6122 -0.4450 C.2 1 UNL1111111111 0.5934 7 O 8.9231 0.0135 -1.4840 O.2 1 UNL1111111111 -0.5132 8 N 7.6808 -1.2584 -0.0791 N.am 1 UNL1111111111 -0.5640 9 C 6.4996 -1.1895 -0.9350 C.3 1 UNL1111111111 0.0376 10 C 6.0213 -2.5935 -1.3164 C.3 1 UNL1111111111 -0.4660 11 C 5.3758 -0.5266 -0.1146 C.2 1 UNL1111111111 0.5481 12 O 5.1457 -0.8365 1.0355 O.2 1 UNL1111111111 -0.5303 13 N 4.6411 0.4370 -0.7668 N.am 1 UNL1111111111 -0.5876 14 C 3.4892 1.0489 -0.1071 C.3 1 UNL1111111111 -0.0042 15 C 3.5081 2.5936 -0.2518 C.3 1 UNL1111111111 -0.0804 16 C 2.2240 3.1787 0.3415 C.3 1 UNL1111111111 -0.4617 17 C 4.7328 3.1663 0.4633 C.3 1 UNL1111111111 -0.4485 18 C 2.2484 0.5012 -0.8371 C.2 1 UNL1111111111 0.5520 19 O 2.1421 0.5498 -2.0471 O.2 1 UNL1111111111 -0.5554 20 N 1.2852 -0.0833 -0.0509 N.am 1 UNL1111111111 -0.5848 21 C 0.0685 -0.6205 -0.6559 C.3 1 UNL1111111111 0.0011 22 C -0.1228 -2.0949 -0.2534 C.3 1 UNL1111111111 -0.3156 23 C -1.2875 -2.7575 -1.0105 C.3 1 UNL1111111111 -0.0607 24 C -0.9397 -2.9664 -2.4879 C.3 1 UNL1111111111 -0.4579 25 C -1.6136 -4.1050 -0.3550 C.3 1 UNL1111111111 -0.4521 26 C -3.3283 1.1881 -0.5584 C.3 1 UNL1111111111 0.0796 27 C -4.5046 0.4849 -1.1851 C.2 1 UNL1111111111 -0.0971 28 C -5.5689 0.1126 -0.4694 C.2 1 UNL1111111111 -0.2529 29 C -6.6869 -0.5747 -1.1317 C.2 1 UNL1111111111 0.6022 30 O -6.8484 -0.7516 -2.3156 O.2 1 UNL1111111111 -0.5253 31 O -7.5742 -1.0201 -0.2071 O.3 1 UNL1111111111 -0.4006 32 C -8.7117 -1.7253 -0.7212 C.3 1 UNL1111111111 -0.0357 33 C -9.5592 -2.0591 0.4665 C.ar 1 UNL1111111111 -0.0243 34 C -3.2825 2.6704 -1.0029 C.3 1 UNL1111111111 -0.3031 35 C -4.5551 3.4293 -0.6314 C.3 1 UNL1111111111 -0.1866 36 C -4.4475 4.9301 -0.9832 C.3 1 UNL1111111111 -0.2981 37 C -4.3752 5.6873 0.3688 C.3 1 UNL1111111111 -0.0644 38 N -4.6773 4.6766 1.3901 N.am 1 UNL1111111111 -0.6053 39 C -4.7901 3.4014 0.8784 C.2 1 UNL1111111111 0.5877 40 O -5.0546 2.4383 1.5604 O.2 1 UNL1111111111 -0.5348 41 C -10.4743 -3.1099 0.3679 C.ar 1 UNL1111111111 -0.1737 42 C -11.2880 -3.4238 1.4534 C.ar 1 UNL1111111111 -0.1401 43 C -11.1865 -2.6950 2.6380 C.ar 1 UNL1111111111 -0.1571 44 C -10.2695 -1.6502 2.7352 C.ar 1 UNL1111111111 -0.1428 45 C -9.4566 -1.3280 1.6497 C.ar 1 UNL1111111111 -0.1361 46 C 13.4098 -0.3639 1.7893 C.3 1 UNL1111111111 -0.4511 47 C -1.1124 0.1929 -0.0930 C.2 1 UNL1111111111 0.5542 48 O -1.1762 0.5141 1.0735 O.2 1 UNL1111111111 -0.5199 49 N -2.0987 0.5158 -0.9995 N.am 1 UNL1111111111 -0.6183 50 H 11.5716 0.3935 -0.6135 H 1 UNL1111111111 0.2004 51 H 7.5810 -1.7284 0.8158 H 1 UNL1111111111 0.3447 52 H 6.7421 -0.5974 -1.8624 H 1 UNL1111111111 0.1844 53 H 5.1456 -2.5531 -1.9752 H 1 UNL1111111111 0.1598 54 H 6.8094 -3.1476 -1.8434 H 1 UNL1111111111 0.1663 55 H 5.7423 -3.1831 -0.4315 H 1 UNL1111111111 0.1687 56 H 4.7762 0.6698 -1.7406 H 1 UNL1111111111 0.3276 57 H 3.4901 0.7732 0.9837 H 1 UNL1111111111 0.1882 58 H 3.5591 2.8522 -1.3387 H 1 UNL1111111111 0.1493 59 H 2.0878 2.8927 1.3910 H 1 UNL1111111111 0.1542 60 H 2.2398 4.2744 0.3059 H 1 UNL1111111111 0.1519 61 H 1.3324 2.8556 -0.2096 H 1 UNL1111111111 0.1515 62 H 5.6659 2.7443 0.0679 H 1 UNL1111111111 0.1565 63 H 4.7897 4.2535 0.3441 H 1 UNL1111111111 0.1449 64 H 4.7130 2.9531 1.5387 H 1 UNL1111111111 0.1525 65 H 1.3231 -0.0815 0.9608 H 1 UNL1111111111 0.3339 66 H 0.1412 -0.5321 -1.7754 H 1 UNL1111111111 0.1836 67 H -0.2943 -2.1658 0.8403 H 1 UNL1111111111 0.1629 68 H 0.8166 -2.6510 -0.4437 H 1 UNL1111111111 0.1624 69 H -2.1940 -2.1071 -0.9375 H 1 UNL1111111111 0.1385 70 H -0.6982 -2.0265 -2.9933 H 1 UNL1111111111 0.1378 71 H -0.0736 -3.6281 -2.6053 H 1 UNL1111111111 0.1491 72 H -1.7756 -3.4248 -3.0290 H 1 UNL1111111111 0.1485 73 H -0.7524 -4.7810 -0.3678 H 1 UNL1111111111 0.1442 74 H -1.9217 -3.9774 0.6892 H 1 UNL1111111111 0.1484 75 H -2.4349 -4.6100 -0.8760 H 1 UNL1111111111 0.1470 76 H -3.3820 1.1416 0.5740 H 1 UNL1111111111 0.2093 77 H -4.4343 0.2957 -2.2595 H 1 UNL1111111111 0.1630 78 H -5.6704 0.2960 0.6080 H 1 UNL1111111111 0.2138 79 H -9.2441 -1.0680 -1.4381 H 1 UNL1111111111 0.1513 80 H -8.3477 -2.6221 -1.2589 H 1 UNL1111111111 0.1483 81 H -2.3977 3.1489 -0.5331 H 1 UNL1111111111 0.1634 82 H -3.1156 2.7350 -2.0954 H 1 UNL1111111111 0.1510 83 H -5.4358 2.9667 -1.1373 H 1 UNL1111111111 0.1740 84 H -3.5660 5.1478 -1.6064 H 1 UNL1111111111 0.1520 85 H -5.3232 5.2572 -1.5684 H 1 UNL1111111111 0.1509 86 H -3.3665 6.1198 0.5390 H 1 UNL1111111111 0.1375 87 H -5.1093 6.5174 0.4124 H 1 UNL1111111111 0.1368 88 H -4.7816 4.9169 2.3529 H 1 UNL1111111111 0.3256 89 H -10.5534 -3.6847 -0.5524 H 1 UNL1111111111 0.1511 90 H -12.0026 -4.2409 1.3777 H 1 UNL1111111111 0.1474 91 H -11.8213 -2.9435 3.4854 H 1 UNL1111111111 0.1480 92 H -10.1860 -1.0830 3.6604 H 1 UNL1111111111 0.1506 93 H -8.7383 -0.5101 1.7298 H 1 UNL1111111111 0.1718 94 H 13.7106 0.6982 1.7454 H 1 UNL1111111111 0.1815 95 H 13.5720 -0.7006 2.8278 H 1 UNL1111111111 0.1763 96 H 14.1220 -0.9250 1.1570 H 1 UNL1111111111 0.1812 97 H -2.0237 0.2783 -1.9745 H 1 UNL1111111111 0.3131 @BOND 1 1 2 ar 2 1 5 ar 3 2 3 ar 4 2 6 1 5 3 4 ar 6 3 50 1 7 4 5 ar 8 4 46 1 9 6 7 2 10 6 8 am 11 8 9 1 12 8 51 1 13 9 10 1 14 9 11 1 15 9 52 1 16 10 53 1 17 10 54 1 18 10 55 1 19 11 12 2 20 11 13 am 21 13 14 1 22 13 56 1 23 14 15 1 24 14 18 1 25 14 57 1 26 15 16 1 27 15 17 1 28 15 58 1 29 16 59 1 30 16 60 1 31 16 61 1 32 17 62 1 33 17 63 1 34 17 64 1 35 18 19 2 36 18 20 am 37 20 21 1 38 20 65 1 39 21 22 1 40 21 47 1 41 21 66 1 42 22 23 1 43 22 67 1 44 22 68 1 45 23 24 1 46 23 25 1 47 23 69 1 48 24 70 1 49 24 71 1 50 24 72 1 51 25 73 1 52 25 74 1 53 25 75 1 54 26 27 1 55 26 34 1 56 26 49 1 57 26 76 1 58 27 28 2 59 27 77 1 60 28 29 1 61 28 78 1 62 29 30 2 63 29 31 1 64 31 32 1 65 32 33 1 66 32 79 1 67 32 80 1 68 33 41 ar 69 33 45 ar 70 34 35 1 71 34 81 1 72 34 82 1 73 35 36 1 74 35 39 1 75 35 83 1 76 36 37 1 77 36 84 1 78 36 85 1 79 37 38 1 80 37 86 1 81 37 87 1 82 38 39 am 83 38 88 1 84 39 40 2 85 41 42 ar 86 41 89 1 87 42 43 ar 88 42 90 1 89 43 44 ar 90 43 91 1 91 44 45 ar 92 44 92 1 93 45 93 1 94 46 94 1 95 46 95 1 96 46 96 1 97 47 48 2 98 47 49 am 99 49 97 1