@MOLECULE (3S)-3-amino-3-[(4Z)-1-(carboxymethyl)-4-[(4-hydroxyphenyl)methylene]-5-oxo-imidazol-2-yl]propanoic acid 39 40 0 0 0 SMALL GASTEIGER @ATOM 1 N 0.7428 2.5490 -1.5918 N.3 1 UNL1111 -0.6200 2 O 4.3839 2.6701 1.0535 O.3 1 UNL1111 -0.5417 3 O 4.3788 1.0560 -0.4825 O.2 1 UNL1111 -0.5651 4 C 3.7534 1.8321 0.1985 C.2 1 UNL1111 0.6824 5 C 2.2765 2.0308 0.2476 C.3 1 UNL1111 -0.3688 6 C 1.6097 1.4964 -1.0388 C.3 1 UNL1111 0.0760 7 C 0.8350 0.2348 -0.7157 C.2 1 UNL1111 0.2919 8 N -0.4476 0.2318 -0.4232 N.2 1 UNL1111 -0.4512 9 N 1.3734 -1.0760 -0.7786 N.am 1 UNL1111 -0.5158 10 C 0.3340 -1.9925 -0.3961 C.2 1 UNL1111 0.5454 11 O 0.4942 -3.1763 -0.3128 O.2 1 UNL1111 -0.4302 12 C -0.8669 -1.1147 -0.2174 C.2 1 UNL1111 -0.0552 13 C 2.7701 -1.4430 -0.7774 C.3 1 UNL1111 -0.1252 14 C -2.1087 -1.5547 0.0541 C.2 1 UNL1111 -0.0109 15 C -3.2960 -0.7309 0.1805 C.ar 1 UNL1111 -0.1231 16 C -4.5433 -1.3044 -0.1282 C.ar 1 UNL1111 -0.0501 17 C -3.2322 0.6079 0.5878 C.ar 1 UNL1111 -0.0086 18 C -5.7045 -0.5524 -0.0618 C.ar 1 UNL1111 -0.2694 19 C -4.3864 1.3802 0.6715 C.ar 1 UNL1111 -0.3349 20 C -5.6049 0.7882 0.3349 C.ar 1 UNL1111 0.3212 21 O -6.7786 1.4650 0.3738 O.3 1 UNL1111 -0.4705 22 C 3.3613 -1.3221 0.6144 C.2 1 UNL1111 0.6371 23 O 3.0129 -0.5956 1.5079 O.2 1 UNL1111 -0.5290 24 O 4.3949 -2.1810 0.7508 O.3 1 UNL1111 -0.5355 25 H 4.8394 -2.1309 1.6361 H 1 UNL1111 0.3594 26 H 5.3664 2.5442 1.0773 H 1 UNL1111 0.3570 27 H 1.8713 1.5331 1.1639 H 1 UNL1111 0.2150 28 H 2.0364 3.1136 0.3877 H 1 UNL1111 0.2116 29 H 2.3936 1.2614 -1.8182 H 1 UNL1111 0.1821 30 H 0.3694 2.2943 -2.4951 H 1 UNL1111 0.2611 31 H -0.0344 2.7624 -0.9771 H 1 UNL1111 0.2698 32 H -2.2626 -2.6400 0.1718 H 1 UNL1111 0.1753 33 H -2.2651 1.0526 0.8449 H 1 UNL1111 0.1795 34 H -4.3347 2.4155 0.9879 H 1 UNL1111 0.1633 35 H -6.6629 2.4084 0.6441 H 1 UNL1111 0.3301 36 H -6.6762 -0.9726 -0.3075 H 1 UNL1111 0.1779 37 H -4.5963 -2.3500 -0.4341 H 1 UNL1111 0.1553 38 H 2.8749 -2.4987 -1.1527 H 1 UNL1111 0.2084 39 H 3.3627 -0.7953 -1.4785 H 1 UNL1111 0.2055 @BOND 1 1 6 1 2 1 30 1 3 1 31 1 4 2 26 1 5 2 4 1 6 3 4 2 7 4 5 1 8 5 27 1 9 5 28 1 10 5 6 1 11 6 29 1 12 6 7 1 13 7 8 2 14 7 9 1 15 8 12 1 16 9 10 am 17 9 13 1 18 10 12 1 19 10 11 2 20 12 14 2 21 13 38 1 22 13 39 1 23 13 22 1 24 14 32 1 25 14 15 1 26 15 17 ar 27 15 16 ar 28 16 18 ar 29 16 37 1 30 17 33 1 31 17 19 ar 32 18 20 ar 33 18 36 1 34 19 34 1 35 19 20 ar 36 20 21 1 37 21 35 1 38 22 23 2 39 22 24 1 40 24 25 1