@MOLECULE o-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]-n-[(2z)-4-oxo-4-phenyl-2-buten-2-yl]-l-tyrosine 68 71 0 0 0 SMALL GASTEIGER @ATOM 1 O 0.3049 -3.7939 -0.2757 O.3 1 UNL11 -0.3513 2 O 3.3261 -0.3802 0.3061 O.2 1 UNL11 -0.2304 3 O -5.9463 0.5826 1.3842 O.3 1 UNL11 -0.5771 4 OXT -3.8589 0.4624 2.1647 O.2 1 UNL11 -0.4575 5 O -0.3522 0.9713 0.0698 O.2 1 UNL11 -0.5223 6 N -2.9717 1.3277 -0.3697 N.pl3 1 UNL11 -0.5029 7 N 2.0855 -1.5722 1.7517 N.ar 1 UNL11 -0.4031 8 CA -4.2832 0.6986 -0.2587 C.3 1 UNL11 0.0088 9 C -4.3509 -0.7115 -0.9039 C.3 1 UNL11 -0.3056 10 C -3.1021 -1.5073 -0.6883 C.ar 1 UNL11 -0.0976 11 C -2.8421 -2.0852 0.5546 C.ar 1 UNL11 -0.0827 12 C -2.1886 -1.6745 -1.7359 C.ar 1 UNL11 -0.0917 13 C 2.3707 -3.9023 0.8411 C.3 1 UNL11 -0.2645 14 C -0.7999 -3.0102 -0.2999 C.ar 1 UNL11 0.2875 15 C -4.5948 0.5723 1.2265 C.2 1 UNL11 0.6097 16 C 0.8628 -4.1446 0.9936 C.3 1 UNL11 -0.0256 17 C -2.5516 1.8960 -1.5506 C.2 1 UNL11 0.3757 18 C 2.6536 -2.4522 0.8082 C.ar 1 UNL11 0.0258 19 C -1.6912 -2.8381 0.7613 C.ar 1 UNL11 -0.2755 20 C -1.0359 -2.4237 -1.5544 C.ar 1 UNL11 -0.2501 21 C 3.4124 -1.7112 -0.0681 C.ar 1 UNL11 0.0771 22 C 2.4821 -0.3602 1.4167 C.ar 1 UNL11 0.2812 23 C -3.5869 2.4061 -2.5069 C.3 1 UNL11 -0.4915 24 C -1.2200 2.0529 -1.8277 C.2 1 UNL11 -0.5439 25 C 2.1804 0.9513 1.9456 C.ar 1 UNL11 -0.0522 26 C 4.2393 -1.9781 -1.2432 C.3 1 UNL11 -0.4339 27 C -0.1654 1.4882 -1.0186 C.2 1 UNL11 0.5151 28 C 3.1635 1.9455 1.9498 C.ar 1 UNL11 -0.1158 29 C 0.8872 1.2237 2.4028 C.ar 1 UNL11 -0.0406 30 C 1.2085 1.5405 -1.5916 C.ar 1 UNL11 -0.1086 31 C 2.8461 3.2207 2.4072 C.ar 1 UNL11 -0.1786 32 C 0.5788 2.5055 2.8550 C.ar 1 UNL11 -0.1627 33 C 1.5538 3.5007 2.8532 C.ar 1 UNL11 -0.1233 34 C 1.5728 0.6216 -2.5735 C.ar 1 UNL11 -0.1161 35 C 2.1125 2.4970 -1.1376 C.ar 1 UNL11 -0.1148 36 C 2.8543 0.6730 -3.1178 C.ar 1 UNL11 -0.1603 37 C 3.3942 2.5423 -1.6835 C.ar 1 UNL11 -0.1516 38 C 3.7631 1.6328 -2.6732 C.ar 1 UNL11 -0.1432 39 HA -5.0704 1.3532 -0.7292 H 1 UNL11 0.1732 40 H -5.2341 -1.2575 -0.5079 H 1 UNL11 0.1659 41 H -4.5553 -0.5977 -1.9883 H 1 UNL11 0.1536 42 H -2.2254 0.9074 0.2285 H 1 UNL11 0.3697 43 H -3.5399 -1.9452 1.3802 H 1 UNL11 0.1518 44 H -2.3774 -1.2085 -2.7018 H 1 UNL11 0.1453 45 H 2.9075 -4.3819 1.6890 H 1 UNL11 0.1623 46 H 2.7409 -4.3936 -0.0839 H 1 UNL11 0.1577 47 H 0.4524 -3.5392 1.8245 H 1 UNL11 0.1630 48 H 0.6175 -5.2098 1.1365 H 1 UNL11 0.1229 49 H -1.4971 -3.2708 1.7380 H 1 UNL11 0.1680 50 H -0.3137 -2.5596 -2.3538 H 1 UNL11 0.1685 51 H -3.1344 2.9958 -3.3192 H 1 UNL11 0.1746 52 H -4.3118 3.0678 -2.0098 H 1 UNL11 0.1694 53 H -4.1416 1.5870 -2.9850 H 1 UNL11 0.1645 54 H -0.9075 2.6107 -2.7029 H 1 UNL11 0.1807 55 H 5.2771 -2.2262 -0.9667 H 1 UNL11 0.1652 56 H 4.2866 -1.0980 -1.9115 H 1 UNL11 0.1786 57 H 3.8406 -2.8169 -1.8370 H 1 UNL11 0.1682 58 H -6.2399 0.4965 2.3235 H 1 UNL11 0.3594 59 H 4.1663 1.7202 1.5907 H 1 UNL11 0.1556 60 H 0.1246 0.4391 2.3812 H 1 UNL11 0.1831 61 H 3.6053 3.9982 2.4153 H 1 UNL11 0.1467 62 H -0.4305 2.7256 3.1973 H 1 UNL11 0.1548 63 H 1.3075 4.5014 3.2006 H 1 UNL11 0.1403 64 H 0.8621 -0.1337 -2.9050 H 1 UNL11 0.1545 65 H 1.8221 3.1948 -0.3517 H 1 UNL11 0.1627 66 H 3.1426 -0.0343 -3.8912 H 1 UNL11 0.1437 67 H 4.1070 3.2845 -1.3325 H 1 UNL11 0.1480 68 H 4.7630 1.6714 -3.0983 H 1 UNL11 0.1421 @BOND 1 1 14 1 2 1 16 1 3 2 21 ar 4 2 22 ar 5 3 15 1 6 3 58 1 7 4 15 2 8 5 27 2 9 6 8 1 10 6 17 1 11 6 42 1 12 7 18 ar 13 7 22 ar 14 8 9 1 15 8 15 1 16 8 39 1 17 9 10 1 18 9 40 1 19 9 41 1 20 10 11 ar 21 10 12 ar 22 11 19 ar 23 11 43 1 24 12 20 ar 25 12 44 1 26 13 16 1 27 13 18 1 28 13 45 1 29 13 46 1 30 14 19 ar 31 14 20 ar 32 16 47 1 33 16 48 1 34 17 23 1 35 17 24 2 36 18 21 ar 37 19 49 1 38 20 50 1 39 21 26 1 40 22 25 1 41 23 51 1 42 23 52 1 43 23 53 1 44 24 27 1 45 24 54 1 46 25 28 ar 47 25 29 ar 48 26 55 1 49 26 56 1 50 26 57 1 51 27 30 1 52 28 31 ar 53 28 59 1 54 29 32 ar 55 29 60 1 56 30 34 ar 57 30 35 ar 58 31 33 ar 59 31 61 1 60 32 33 ar 61 32 62 1 62 33 63 1 63 34 36 ar 64 34 64 1 65 35 37 ar 66 35 65 1 67 36 38 ar 68 36 66 1 69 37 38 ar 70 37 67 1 71 38 68 1