@MOLECULE 3-(3,4-dihydroxyphenyl)-2-oxopropyl (2e)-3-(3-hydroxy-4-methoxyphenyl)acrylate 44 45 0 0 0 SMALL GASTEIGER @ATOM 1 O 0.3335 1.1058 0.1717 O.3 1 UNL1111111111 -0.3702 2 O 7.3902 -1.6727 1.6665 O.3 1 UNL1111111111 -0.4230 3 O 2.5154 -0.2569 -0.1711 O.2 1 UNL1111111111 -0.3694 4 O 8.2230 -2.0817 -0.7840 O.3 1 UNL1111111111 -0.4226 5 O -7.8414 -1.7893 -0.2584 O.3 1 UNL1111111111 -0.3393 6 O -7.8186 0.8130 -0.9420 O.3 1 UNL1111111111 -0.4481 7 O -0.8448 2.9879 0.5218 O.2 1 UNL1111111111 -0.5179 8 C 4.0289 1.5774 0.1304 C.3 1 UNL1111111111 -0.3960 9 C 5.1346 0.6037 -0.1326 C.ar 1 UNL1111111111 0.0400 10 C 2.6707 0.9100 0.0468 C.2 1 UNL1111111111 0.4440 11 C 5.7262 -0.0775 0.9396 C.ar 1 UNL1111111111 -0.2708 12 C 5.5712 0.3793 -1.4345 C.ar 1 UNL1111111111 -0.1610 13 C 1.5226 1.8809 0.2714 C.3 1 UNL1111111111 -0.1526 14 C 6.7557 -0.9751 0.6902 C.ar 1 UNL1111111111 0.2029 15 C 6.6087 -0.5221 -1.6894 C.ar 1 UNL1111111111 -0.2412 16 C 7.2034 -1.1972 -0.6318 C.ar 1 UNL1111111111 0.1840 17 C -4.3968 0.4716 0.1964 C.ar 1 UNL1111111111 -0.0458 18 C -5.5810 1.0281 -0.3110 C.ar 1 UNL1111111111 -0.1871 19 C -4.3613 -0.8696 0.5790 C.ar 1 UNL1111111111 -0.1270 20 C -6.6633 -1.1371 -0.0540 C.ar 1 UNL1111111111 0.1232 21 C -6.7045 0.2234 -0.4383 C.ar 1 UNL1111111111 0.1915 22 C -5.4936 -1.6790 0.4587 C.ar 1 UNL1111111111 -0.2344 23 C -3.2204 1.3274 0.3196 C.2 1 UNL1111111111 -0.0149 24 C -1.9643 0.8801 0.1730 C.2 1 UNL1111111111 -0.2991 25 C -0.8333 1.7991 0.3130 C.2 1 UNL1111111111 0.5966 26 C -7.9338 -3.1175 0.2374 C.3 1 UNL1111111111 -0.1857 27 H 4.1509 2.0493 1.1296 H 1 UNL1111111111 0.1754 28 H 4.0755 2.4222 -0.5912 H 1 UNL1111111111 0.1757 29 H 5.3743 0.0858 1.9535 H 1 UNL1111111111 0.1623 30 H 5.1017 0.8975 -2.2675 H 1 UNL1111111111 0.1562 31 H 1.5682 2.3500 1.2723 H 1 UNL1111111111 0.1596 32 H 1.5037 2.6799 -0.4942 H 1 UNL1111111111 0.1611 33 H 6.9402 -0.6933 -2.7097 H 1 UNL1111111111 0.1606 34 H -5.6323 2.0745 -0.6109 H 1 UNL1111111111 0.1832 35 H -3.4443 -1.2975 0.9857 H 1 UNL1111111111 0.1637 36 H -5.4429 -2.7206 0.7638 H 1 UNL1111111111 0.1646 37 H -3.4210 2.3873 0.5338 H 1 UNL1111111111 0.1729 38 H -1.7145 -0.1564 -0.0602 H 1 UNL1111111111 0.1920 39 H 6.9822 -1.5021 2.5524 H 1 UNL1111111111 0.3153 40 H 8.4498 -2.2034 -1.7404 H 1 UNL1111111111 0.3146 41 H -8.5764 0.1737 -0.9813 H 1 UNL1111111111 0.3380 42 H -7.7634 -3.1474 1.3182 H 1 UNL1111111111 0.1368 43 H -7.2434 -3.7777 -0.2979 H 1 UNL1111111111 0.1371 44 H -8.9756 -3.3779 0.0029 H 1 UNL1111111111 0.1545 @BOND 1 1 13 1 2 1 25 1 3 2 14 1 4 2 39 1 5 3 10 2 6 4 16 1 7 4 40 1 8 5 20 1 9 5 26 1 10 6 21 1 11 6 41 1 12 7 25 2 13 8 9 1 14 8 10 1 15 8 27 1 16 8 28 1 17 9 11 ar 18 9 12 ar 19 10 13 1 20 11 14 ar 21 11 29 1 22 12 15 ar 23 12 30 1 24 13 31 1 25 13 32 1 26 14 16 ar 27 15 16 ar 28 15 33 1 29 17 18 ar 30 17 19 ar 31 17 23 1 32 18 21 ar 33 18 34 1 34 19 22 ar 35 19 35 1 36 20 21 ar 37 20 22 ar 38 22 36 1 39 23 24 2 40 23 37 1 41 24 25 1 42 24 38 1 43 26 42 1 44 26 43 1 45 26 44 1