@MOLECULE n-{(2r)-2-[2-(hydroxyamino)-2-oxoethyl]-4-methylpentanoyl}-l-leucyl-l-phenylalaninamide 68 68 0 0 0 SMALL GASTEIGER @ATOM 1 C -4.2887 -0.5621 0.9500 C.3 1 UNL1111111111 -0.3639 2 C -5.6113 -0.5281 0.2271 C.2 1 UNL1111111111 0.5451 3 O -5.8504 -1.1642 -0.7738 O.2 1 UNL1111111111 -0.4939 4 N -6.6413 0.1563 0.8987 N.am 1 UNL1111111111 -0.4054 5 O -7.7638 0.4330 0.1101 O.3 1 UNL1111111111 -0.2957 6 C -1.8461 -0.5899 0.6433 C.2 1 UNL1111111111 0.5821 7 O -1.6010 -0.3110 1.7992 O.2 1 UNL1111111111 -0.5429 8 C -3.1611 -0.2410 -0.0397 C.3 1 UNL1111111111 -0.1711 9 C -3.1321 1.2527 -0.3974 C.3 1 UNL1111111111 -0.2965 10 C -2.1753 1.5602 -1.5666 C.3 1 UNL1111111111 -0.0627 11 C -2.7649 1.0770 -2.8953 C.3 1 UNL1111111111 -0.4530 12 C -1.9129 3.0702 -1.6244 C.3 1 UNL1111111111 -0.4513 13 N -0.9395 -1.2924 -0.1270 N.am 1 UNL1111111111 -0.5982 14 C 0.4038 -1.5585 0.3835 C.3 1 UNL1111111111 0.0128 15 C 1.3835 -0.9034 -0.6022 C.2 1 UNL1111111111 0.5572 16 O 1.1438 -0.8456 -1.7974 O.2 1 UNL1111111111 -0.5856 17 C 0.6689 -3.0756 0.4120 C.3 1 UNL1111111111 -0.3123 18 C 1.9906 -3.4359 1.1122 C.3 1 UNL1111111111 -0.0659 19 C 1.9352 -3.1142 2.6089 C.3 1 UNL1111111111 -0.4543 20 C 2.2688 -4.9304 0.9078 C.3 1 UNL1111111111 -0.4515 21 N 2.5492 -0.4019 -0.0841 N.am 1 UNL1111111111 -0.5809 22 C 3.5073 0.2862 -0.9540 C.3 1 UNL1111111111 0.0210 23 C 4.3940 -0.7706 -1.6554 C.2 1 UNL1111111111 0.5511 24 O 5.5525 -0.9590 -1.3526 O.2 1 UNL1111111111 -0.5326 25 C 4.4025 1.2243 -0.1261 C.3 1 UNL1111111111 -0.3161 26 C 3.5676 2.2330 0.5987 C.ar 1 UNL1111111111 0.0160 27 C 3.3496 2.1098 1.9722 C.ar 1 UNL1111111111 -0.1836 28 C 2.9798 3.2857 -0.1069 C.ar 1 UNL1111111111 -0.1716 29 C 2.5374 3.0293 2.6331 C.ar 1 UNL1111111111 -0.1282 30 C 2.1706 4.2035 0.5575 C.ar 1 UNL1111111111 -0.1311 31 C 1.9456 4.0751 1.9271 C.ar 1 UNL1111111111 -0.1606 32 N 3.7927 -1.4584 -2.6805 N.am 1 UNL1111111111 -0.6748 33 H -4.2406 0.1178 1.8249 H 1 UNL1111111111 0.1806 34 H -4.1457 -1.5809 1.3801 H 1 UNL1111111111 0.1899 35 H -6.4736 1.0042 1.4180 H 1 UNL1111111111 0.3054 36 H -8.0975 -0.4723 -0.1827 H 1 UNL1111111111 0.3115 37 H -3.3133 -0.8470 -0.9708 H 1 UNL1111111111 0.1798 38 H -4.1513 1.5943 -0.6611 H 1 UNL1111111111 0.1493 39 H -2.8354 1.8425 0.4937 H 1 UNL1111111111 0.1565 40 H -1.1985 1.0442 -1.3950 H 1 UNL1111111111 0.1386 41 H -2.1019 1.3214 -3.7332 H 1 UNL1111111111 0.1481 42 H -2.9129 -0.0079 -2.9062 H 1 UNL1111111111 0.1418 43 H -3.7372 1.5401 -3.0989 H 1 UNL1111111111 0.1484 44 H -1.4914 3.4399 -0.6830 H 1 UNL1111111111 0.1434 45 H -1.1986 3.3141 -2.4179 H 1 UNL1111111111 0.1458 46 H -2.8310 3.6319 -1.8248 H 1 UNL1111111111 0.1446 47 H -1.0697 -1.4373 -1.1226 H 1 UNL1111111111 0.3330 48 H 0.5046 -1.1277 1.4196 H 1 UNL1111111111 0.1899 49 H -0.1763 -3.5769 0.9265 H 1 UNL1111111111 0.1657 50 H 0.6652 -3.4783 -0.6202 H 1 UNL1111111111 0.1561 51 H 2.8278 -2.8610 0.6477 H 1 UNL1111111111 0.1363 52 H 2.8567 -3.4264 3.1143 H 1 UNL1111111111 0.1487 53 H 1.8042 -2.0446 2.7996 H 1 UNL1111111111 0.1388 54 H 1.1040 -3.6339 3.0999 H 1 UNL1111111111 0.1508 55 H 2.3894 -5.1741 -0.1535 H 1 UNL1111111111 0.1442 56 H 3.1898 -5.2354 1.4176 H 1 UNL1111111111 0.1483 57 H 1.4560 -5.5505 1.3006 H 1 UNL1111111111 0.1460 58 H 2.7535 -0.4145 0.9048 H 1 UNL1111111111 0.3267 59 H 2.9462 0.8771 -1.7329 H 1 UNL1111111111 0.1795 60 H 5.0437 0.6350 0.5661 H 1 UNL1111111111 0.1791 61 H 5.1363 1.7203 -0.7993 H 1 UNL1111111111 0.1780 62 H 3.8164 1.3030 2.5324 H 1 UNL1111111111 0.1499 63 H 3.1509 3.3883 -1.1763 H 1 UNL1111111111 0.1529 64 H 2.3630 2.9294 3.7030 H 1 UNL1111111111 0.1489 65 H 1.7117 5.0218 0.0061 H 1 UNL1111111111 0.1480 66 H 1.3090 4.7895 2.4442 H 1 UNL1111111111 0.1501 67 H 2.8045 -1.3627 -2.8533 H 1 UNL1111111111 0.3346 68 H 4.2841 -2.1806 -3.1650 H 1 UNL1111111111 0.3090 @BOND 1 1 2 1 2 1 33 1 3 1 34 1 4 2 3 2 5 2 4 am 6 4 5 1 7 4 35 1 8 5 36 1 9 6 7 2 10 6 8 1 11 6 13 am 12 8 9 1 13 8 37 1 14 8 1 1 15 9 10 1 16 9 38 1 17 9 39 1 18 10 11 1 19 10 12 1 20 10 40 1 21 11 41 1 22 11 42 1 23 11 43 1 24 12 44 1 25 12 45 1 26 12 46 1 27 13 14 1 28 13 47 1 29 14 15 1 30 14 17 1 31 14 48 1 32 15 16 2 33 15 21 am 34 17 18 1 35 17 49 1 36 17 50 1 37 18 19 1 38 18 20 1 39 18 51 1 40 19 52 1 41 19 53 1 42 19 54 1 43 20 55 1 44 20 56 1 45 20 57 1 46 21 22 1 47 21 58 1 48 22 23 1 49 22 25 1 50 22 59 1 51 23 24 2 52 23 32 am 53 25 26 1 54 25 60 1 55 25 61 1 56 26 27 ar 57 26 28 ar 58 27 29 ar 59 27 62 1 60 28 30 ar 61 28 63 1 62 29 31 ar 63 29 64 1 64 30 31 ar 65 30 65 1 66 31 66 1 67 32 67 1 68 32 68 1