@MOLECULE (e)-3-(3,4-dihydroxyphenyl)-1-(2,5-dimethoxyphenyl)-2-propen-1-one 38 39 0 0 0 SMALL GASTEIGER @ATOM 1 O 2.2304 -2.2368 1.0622 O.3 1 UNL1111111111 -0.3473 2 O 4.6236 2.4121 -0.5727 O.3 1 UNL1111111111 -0.3063 3 O 0.9763 -1.4189 -1.9242 O.2 1 UNL1111111111 -0.4422 4 O -6.1569 0.2483 -1.3524 O.3 1 UNL1111111111 -0.4459 5 O -6.4145 1.0229 1.2461 O.3 1 UNL1111111111 -0.4884 6 C 2.2752 -0.2867 -0.3208 C.ar 1 UNL1111111111 -0.1306 7 C 2.8870 -1.1071 0.6335 C.ar 1 UNL1111111111 0.1518 8 C 2.8931 0.8968 -0.6940 C.ar 1 UNL1111111111 -0.2025 9 C 4.1219 1.2385 -0.1009 C.ar 1 UNL1111111111 0.2199 10 C 0.9883 -0.7167 -0.9400 C.2 1 UNL1111111111 0.4905 11 C -2.7211 -0.1287 -0.2381 C.ar 1 UNL1111111111 -0.0367 12 C 4.1009 -0.7619 1.2236 C.ar 1 UNL1111111111 -0.1511 13 C 4.7274 0.4274 0.8590 C.ar 1 UNL1111111111 -0.2593 14 C -0.2475 -0.2441 -0.2930 C.2 1 UNL1111111111 -0.3026 15 C -1.4471 -0.5541 -0.8113 C.2 1 UNL1111111111 -0.0269 16 C -3.8638 -0.1341 -1.0539 C.ar 1 UNL1111111111 -0.1916 17 C -2.8212 0.2683 1.0981 C.ar 1 UNL1111111111 -0.1266 18 C -5.0846 0.2633 -0.5225 C.ar 1 UNL1111111111 0.1972 19 C -4.0456 0.6616 1.6401 C.ar 1 UNL1111111111 -0.2434 20 C -5.1707 0.6575 0.8285 C.ar 1 UNL1111111111 0.1528 21 C 2.6472 -3.3992 0.3465 C.3 1 UNL1111111111 -0.1972 22 C 5.8663 2.8448 -0.0355 C.3 1 UNL1111111111 -0.2038 23 H 2.4546 1.5570 -1.4418 H 1 UNL1111111111 0.1817 24 H 4.5458 -1.4222 1.9652 H 1 UNL1111111111 0.1672 25 H 5.6714 0.6999 1.3200 H 1 UNL1111111111 0.1641 26 H -0.1190 0.3533 0.6061 H 1 UNL1111111111 0.1721 27 H -1.5144 -1.1583 -1.7287 H 1 UNL1111111111 0.1726 28 H -3.8108 -0.4425 -2.0980 H 1 UNL1111111111 0.1817 29 H -1.9370 0.2637 1.7364 H 1 UNL1111111111 0.1646 30 H -4.1117 0.9651 2.6809 H 1 UNL1111111111 0.1618 31 H 3.7115 -3.5893 0.5072 H 1 UNL1111111111 0.1259 32 H 2.4230 -3.2910 -0.7218 H 1 UNL1111111111 0.1468 33 H 2.0337 -4.1896 0.7941 H 1 UNL1111111111 0.1478 34 H 6.0447 3.7764 -0.5905 H 1 UNL1111111111 0.1536 35 H 6.6598 2.1205 -0.2432 H 1 UNL1111111111 0.1349 36 H 5.7780 3.0498 1.0368 H 1 UNL1111111111 0.1337 37 H -6.9803 0.5358 -0.8742 H 1 UNL1111111111 0.3416 38 H -6.4343 1.2218 2.2136 H 1 UNL1111111111 0.3401 @BOND 1 1 7 1 2 1 21 1 3 2 9 1 4 2 22 1 5 3 10 2 6 4 18 1 7 4 37 1 8 5 20 1 9 5 38 1 10 6 7 ar 11 6 8 ar 12 6 10 1 13 7 12 ar 14 8 9 ar 15 8 23 1 16 9 13 ar 17 10 14 1 18 11 15 1 19 11 16 ar 20 11 17 ar 21 12 13 ar 22 12 24 1 23 13 25 1 24 14 15 2 25 14 26 1 26 15 27 1 27 16 18 ar 28 16 28 1 29 17 19 ar 30 17 29 1 31 18 20 ar 32 19 20 ar 33 19 30 1 34 21 31 1 35 21 32 1 36 21 33 1 37 22 34 1 38 22 35 1 39 22 36 1