@MOLECULE 2-{[(2e)-3-(3,4-dihydroxyphenyl)-2-propenoyl]amino}-5-hydroxybenzoic acid 36 37 0 0 0 SMALL GASTEIGER @ATOM 1 O 6.8978 -1.1849 0.0632 O.3 1 UNL1111111111 -0.4629 2 O -6.6872 -1.4133 -0.7854 O.3 1 UNL1111111111 -0.4436 3 O -7.2316 1.1350 0.0073 O.3 1 UNL1111111111 -0.4865 4 O 0.5465 -2.0513 0.2606 O.2 1 UNL1111111111 -0.5160 5 O 4.5021 2.9361 -0.2212 O.3 1 UNL1111111111 -0.5308 6 O 2.3165 2.5773 -0.2622 O.2 1 UNL1111111111 -0.5689 7 N 1.4798 0.0135 -0.0737 N.am 1 UNL1111111111 -0.5687 8 C 2.8364 -0.3343 -0.0306 C.ar 1 UNL1111111111 0.2510 9 C 3.8119 0.6925 -0.0969 C.ar 1 UNL1111111111 -0.2232 10 C 3.2638 -1.6757 0.0649 C.ar 1 UNL1111111111 -0.1911 11 C -3.3761 -0.3463 0.2339 C.ar 1 UNL1111111111 -0.0412 12 C 5.1736 0.3730 -0.0649 C.ar 1 UNL1111111111 -0.1170 13 C 5.5546 -0.9594 0.0350 C.ar 1 UNL1111111111 0.1939 14 C 4.6102 -1.9906 0.0997 C.ar 1 UNL1111111111 -0.1882 15 C -2.0307 -0.9147 0.2872 C.2 1 UNL1111111111 -0.0155 16 C -4.4246 -1.1429 -0.2475 C.ar 1 UNL1111111111 -0.1917 17 C 0.3970 -0.8621 0.0793 C.2 1 UNL1111111111 0.6052 18 C -3.6195 0.9607 0.6607 C.ar 1 UNL1111111111 -0.1316 19 C -0.9265 -0.2093 0.0013 C.2 1 UNL1111111111 -0.3102 20 C -5.7059 -0.6090 -0.3089 C.ar 1 UNL1111111111 0.2008 21 C -5.9414 0.7141 0.1195 C.ar 1 UNL1111111111 0.1508 22 C -4.9069 1.4988 0.6084 C.ar 1 UNL1111111111 -0.2388 23 C 3.4331 2.1035 -0.1989 C.2 1 UNL1111111111 0.6742 24 H 2.5271 -2.4862 0.1111 H 1 UNL1111111111 0.2095 25 H 1.2809 1.0183 -0.1924 H 1 UNL1111111111 0.3514 26 H 5.9395 1.1529 -0.1159 H 1 UNL1111111111 0.1959 27 H 4.9284 -3.0286 0.1752 H 1 UNL1111111111 0.1630 28 H -1.9681 -1.9756 0.5703 H 1 UNL1111111111 0.1778 29 H -4.2522 -2.1666 -0.5793 H 1 UNL1111111111 0.1836 30 H -2.8019 1.5690 1.0478 H 1 UNL1111111111 0.1641 31 H -0.9587 0.8345 -0.3040 H 1 UNL1111111111 0.1762 32 H -5.0897 2.5157 0.9440 H 1 UNL1111111111 0.1627 33 H 7.1065 -2.1463 0.1404 H 1 UNL1111111111 0.3237 34 H -7.5639 -0.9429 -0.7846 H 1 UNL1111111111 0.3424 35 H -7.3573 2.0404 0.3825 H 1 UNL1111111111 0.3407 36 H 4.2419 3.8920 -0.2912 H 1 UNL1111111111 0.3589 @BOND 1 1 13 1 2 1 33 1 3 2 20 1 4 2 34 1 5 3 21 1 6 3 35 1 7 4 17 2 8 5 23 1 9 5 36 1 10 6 23 2 11 7 8 1 12 7 17 am 13 7 25 1 14 8 9 ar 15 8 10 ar 16 9 12 ar 17 9 23 1 18 10 14 ar 19 10 24 1 20 11 15 1 21 11 16 ar 22 11 18 ar 23 12 13 ar 24 12 26 1 25 13 14 ar 26 14 27 1 27 15 19 2 28 15 28 1 29 16 20 ar 30 16 29 1 31 17 19 1 32 18 22 ar 33 18 30 1 34 19 31 1 35 20 21 ar 36 21 22 ar 37 22 32 1