@MOLECULE 2-[(4Z)-2-[(1S)-1,3-diamino-3-oxo-propyl]-4-[(4-hydroxyphenyl)methylene]-5-oxo-imidazol-1-yl]acetic acid 40 41 0 0 0 SMALL GASTEIGER @ATOM 1 O 0.7795 -4.2536 -0.4899 O.2 1 UNL111111111 -0.8184 2 C 0.3287 -3.1954 -0.1007 C.2 1 UNL111111111 1.0113 3 N -0.7004 -2.5700 -0.7646 N.am 1 UNL111111111 0.0150 4 C 0.8279 -2.5168 1.1624 C.3 1 UNL111111111 -1.3848 5 C 1.9124 -1.4661 0.8425 C.3 1 UNL111111111 1.3650 6 N 2.8960 -1.3339 1.9358 N.3 1 UNL111111111 -0.8712 7 C 1.3026 -0.1055 0.5800 C.2 1 UNL111111111 -0.3544 8 N 2.0543 1.0931 0.4965 N.am 1 UNL111111111 -0.0456 9 C 3.4929 1.2146 0.4752 C.3 1 UNL111111111 -1.0114 10 C 4.0581 0.6300 -0.8023 C.2 1 UNL111111111 1.6107 11 O 3.5772 -0.2033 -1.5217 O.2 1 UNL111111111 -0.6967 12 N 0.0179 0.1122 0.3756 N.2 1 UNL111111111 -0.1776 13 C -0.1821 1.5046 0.1349 C.2 1 UNL111111111 -0.3972 14 C 1.1639 2.1654 0.1777 C.2 1 UNL111111111 1.1948 15 O 1.5159 3.3002 0.0212 O.2 1 UNL111111111 -0.9890 16 C -1.3582 2.1144 -0.0718 C.2 1 UNL111111111 -0.0549 17 C -2.6269 1.3955 -0.1240 C.ar 1 UNL111111111 0.0043 18 C -2.8125 0.3752 -1.0613 C.ar 1 UNL111111111 0.3540 19 C -4.0111 -0.3300 -1.1046 C.ar 1 UNL111111111 -0.7151 20 C -5.0052 0.0012 -0.1818 C.ar 1 UNL111111111 1.1961 21 O -6.2002 -0.6396 -0.1372 O.3 1 UNL111111111 -0.9319 22 C -4.8447 1.0228 0.7631 C.ar 1 UNL111111111 -0.6940 23 C -3.6476 1.7231 0.7788 C.ar 1 UNL111111111 0.1316 24 O 5.2730 1.1728 -1.0513 O.3 1 UNL111111111 -0.9113 25 H -0.9807 -1.6378 -0.5037 H 1 UNL111111111 -0.2581 26 H -1.0460 -2.9434 -1.6239 H 1 UNL111111111 0.1942 27 H 1.2421 -3.3058 1.8261 H 1 UNL111111111 0.3023 28 H -0.0151 -2.0654 1.7272 H 1 UNL111111111 0.4387 29 H 2.4754 -1.7708 -0.0970 H 1 UNL111111111 -0.3338 30 H 3.4888 -2.1493 2.0025 H 1 UNL111111111 0.2640 31 H 2.4551 -1.1699 2.8285 H 1 UNL111111111 0.3214 32 H 3.9477 0.6734 1.3532 H 1 UNL111111111 0.2751 33 H 3.7824 2.2947 0.5793 H 1 UNL111111111 0.4963 34 H 5.7068 0.8209 -1.8698 H 1 UNL111111111 0.4122 35 H -1.4059 3.2022 -0.2079 H 1 UNL111111111 0.1682 36 H -2.0114 0.1365 -1.7635 H 1 UNL111111111 0.0190 37 H -4.1648 -1.1178 -1.8331 H 1 UNL111111111 0.1680 38 H -6.2702 -1.3550 -0.8150 H 1 UNL111111111 0.3862 39 H -5.6486 1.2451 1.4602 H 1 UNL111111111 0.2480 40 H -3.4939 2.5212 1.5060 H 1 UNL111111111 0.0691 @BOND 1 1 2 2 2 2 4 1 3 2 3 am 4 3 25 1 5 3 26 1 6 4 5 1 7 4 27 1 8 4 28 1 9 5 7 1 10 5 6 1 11 5 29 1 12 6 30 1 13 6 31 1 14 7 12 2 15 7 8 1 16 8 14 am 17 8 9 1 18 9 10 1 19 9 32 1 20 9 33 1 21 10 24 1 22 10 11 2 23 12 13 1 24 13 16 2 25 13 14 1 26 14 15 2 27 16 17 1 28 16 35 1 29 17 23 ar 30 17 18 ar 31 18 19 ar 32 18 36 1 33 19 20 ar 34 19 37 1 35 20 21 1 36 20 22 ar 37 21 38 1 38 22 23 ar 39 22 39 1 40 23 40 1 41 24 34 1