@MOLECULE ethyl (2s,3s)-3-{[(2s,3s)-1-{[2-(4-hydroxyphenyl)ethyl]amino}-3-methyl-1-oxo-2-pentanyl]carbamoyl}-2-oxiranecarboxylate 56 57 0 0 0 SMALL GASTEIGER @ATOM 1 O -3.1392 -2.3187 -1.0387 O.3 1 UNL1111111111 -0.2191 2 O -0.5926 -0.8149 -1.7843 O.2 1 UNL1111111111 -0.4915 3 O -5.6209 -0.0989 -0.1004 O.3 1 UNL1111111111 -0.4286 4 O 0.0862 -0.5345 2.0068 O.2 1 UNL1111111111 -0.5363 5 O -5.9766 -2.3152 -0.0055 O.2 1 UNL1111111111 -0.4555 6 O 6.9582 0.1903 -2.2487 O.3 1 UNL1111111111 -0.4713 7 N -1.2803 0.5054 -0.0729 N.am 1 UNL1111111111 -0.5667 8 N 2.0742 0.3961 1.4775 N.am 1 UNL1111111111 -0.5941 9 C -2.9116 -0.9199 -1.1954 C.3 1 UNL1111111111 -0.0849 10 C -3.7170 -1.4521 -0.0647 C.3 1 UNL1111111111 -0.0942 11 C 0.0646 1.0227 0.1577 C.3 1 UNL1111111111 -0.0126 12 C 0.0625 2.5173 0.5797 C.3 1 UNL1111111111 -0.1008 13 C -1.4791 -0.4628 -1.0382 C.2 1 UNL1111111111 0.5698 14 C -0.5622 3.4078 -0.5069 C.3 1 UNL1111111111 -0.2583 15 C -0.6689 2.7384 1.9053 C.3 1 UNL1111111111 -0.4640 16 C 0.7247 0.1980 1.2806 C.2 1 UNL1111111111 0.5410 17 C -5.2134 -1.3913 -0.0731 C.2 1 UNL1111111111 0.5721 18 C 0.2451 3.3741 -1.8025 C.3 1 UNL1111111111 -0.4428 19 C 2.7850 -0.4362 2.4548 C.3 1 UNL1111111111 -0.0545 20 C 3.4905 -1.6294 1.7715 C.3 1 UNL1111111111 -0.3107 21 C -7.0433 0.1017 0.0260 C.3 1 UNL1111111111 0.0114 22 C 4.4309 -1.1495 0.7123 C.ar 1 UNL1111111111 -0.0597 23 C -7.2177 1.6093 0.0856 C.3 1 UNL1111111111 -0.4646 24 C 3.9914 -1.0323 -0.6132 C.ar 1 UNL1111111111 -0.1113 25 C 5.7400 -0.8077 1.0541 C.ar 1 UNL1111111111 -0.1042 26 C 4.8509 -0.5675 -1.5988 C.ar 1 UNL1111111111 -0.2324 27 C 6.6229 -0.3500 0.0793 C.ar 1 UNL1111111111 -0.3033 28 C 6.1614 -0.2408 -1.2331 C.ar 1 UNL1111111111 0.2741 29 H -3.4000 -0.4687 -2.0716 H 1 UNL1111111111 0.1895 30 H -3.2978 -1.5458 0.9493 H 1 UNL1111111111 0.1983 31 H 0.6547 0.9101 -0.7971 H 1 UNL1111111111 0.1873 32 H 1.1327 2.8226 0.7101 H 1 UNL1111111111 0.1432 33 H -1.9627 0.7006 0.6414 H 1 UNL1111111111 0.3206 34 H -1.6060 3.0968 -0.7047 H 1 UNL1111111111 0.1469 35 H -0.6274 4.4465 -0.1277 H 1 UNL1111111111 0.1363 36 H -1.7546 2.6451 1.7932 H 1 UNL1111111111 0.1474 37 H -0.3503 2.0223 2.6746 H 1 UNL1111111111 0.1628 38 H -0.4723 3.7408 2.3036 H 1 UNL1111111111 0.1492 39 H 0.1688 2.3992 -2.2998 H 1 UNL1111111111 0.1555 40 H -0.1177 4.1268 -2.5116 H 1 UNL1111111111 0.1416 41 H 1.3065 3.5809 -1.6283 H 1 UNL1111111111 0.1428 42 H 2.6485 0.8880 0.8135 H 1 UNL1111111111 0.3131 43 H 3.5264 0.2009 2.9858 H 1 UNL1111111111 0.1377 44 H 2.0607 -0.8175 3.2164 H 1 UNL1111111111 0.1685 45 H 2.7276 -2.3157 1.3477 H 1 UNL1111111111 0.1695 46 H 4.0194 -2.2276 2.5393 H 1 UNL1111111111 0.1535 47 H -7.3885 -0.4046 0.9456 H 1 UNL1111111111 0.1356 48 H -7.5323 -0.3564 -0.8520 H 1 UNL1111111111 0.1356 49 H -6.7138 2.0406 0.9591 H 1 UNL1111111111 0.1591 50 H -6.7923 2.0998 -0.7999 H 1 UNL1111111111 0.1614 51 H -8.2822 1.8731 0.1479 H 1 UNL1111111111 0.1548 52 H 2.9682 -1.3165 -0.8722 H 1 UNL1111111111 0.1680 53 H 6.0775 -0.9017 2.0864 H 1 UNL1111111111 0.1506 54 H 4.5355 -0.4671 -2.6349 H 1 UNL1111111111 0.1799 55 H 7.6433 -0.0911 0.3382 H 1 UNL1111111111 0.1592 56 H 7.8860 0.3366 -1.9469 H 1 UNL1111111111 0.3253 @BOND 1 1 9 1 2 1 10 1 3 2 13 2 4 3 17 1 5 3 21 1 6 4 16 2 7 5 17 2 8 6 28 1 9 6 56 1 10 7 11 1 11 7 13 am 12 7 33 1 13 8 16 am 14 8 19 1 15 8 42 1 16 9 10 1 17 9 13 1 18 9 29 1 19 10 17 1 20 10 30 1 21 11 12 1 22 11 16 1 23 11 31 1 24 12 14 1 25 12 15 1 26 12 32 1 27 14 18 1 28 14 34 1 29 14 35 1 30 15 36 1 31 15 37 1 32 15 38 1 33 18 39 1 34 18 40 1 35 18 41 1 36 19 20 1 37 19 43 1 38 19 44 1 39 20 22 1 40 20 45 1 41 20 46 1 42 21 23 1 43 21 47 1 44 21 48 1 45 22 24 ar 46 22 25 ar 47 23 49 1 48 23 50 1 49 23 51 1 50 24 26 ar 51 24 52 1 52 25 27 ar 53 25 53 1 54 26 28 ar 55 26 54 1 56 27 28 ar 57 27 55 1