@MOLECULE (2e)-1-{2,4-dihydroxy-3-[(2s)-2-hydroxy-3-methyl-3-buten-1-yl]-6-methoxyphenyl}-3-(4-hydroxyphenyl)-2-propen-1-one 49 50 0 0 0 SMALL GASTEIGER @ATOM 1 O -5.7300 -0.1903 0.7478 O.3 1 UNL1111111111 -0.6005 2 O -1.1348 -1.4216 -0.4504 O.3 1 UNL1111111111 -0.4636 3 O 0.1854 3.1526 0.0526 O.3 1 UNL1111111111 -0.3668 4 O -4.0397 1.7359 1.5359 O.3 1 UNL1111111111 -0.4873 5 O 0.7707 0.8509 -2.3169 O.2 1 UNL1111111111 -0.4648 6 O 7.8804 -1.5254 1.4329 O.3 1 UNL1111111111 -0.4675 7 C -3.5472 -1.0412 0.7871 C.3 1 UNL1111111111 -0.2635 8 C -2.5957 0.0799 0.5533 C.ar 1 UNL1111111111 -0.3000 9 C -4.8090 -0.9083 -0.0828 C.3 1 UNL1111111111 0.1448 10 C -1.3670 -0.1406 -0.0829 C.ar 1 UNL1111111111 0.3893 11 C -2.8764 1.3936 0.9659 C.ar 1 UNL1111111111 0.3972 12 C -0.4491 0.8857 -0.3211 C.ar 1 UNL1111111111 -0.4381 13 C -5.3937 -2.2538 -0.4287 C.2 1 UNL1111111111 -0.0016 14 C -0.7617 2.1641 0.1558 C.ar 1 UNL1111111111 0.3625 15 C -1.9572 2.4417 0.8010 C.ar 1 UNL1111111111 -0.3965 16 C 0.7786 0.6816 -1.1158 C.2 1 UNL1111111111 0.5152 17 C -6.0697 -2.9766 0.6824 C.3 1 UNL1111111111 -0.4495 18 C -5.2697 -2.7541 -1.6592 C.2 1 UNL1111111111 -0.3528 19 C 1.9851 0.2508 -0.3878 C.2 1 UNL1111111111 -0.3286 20 C 3.1420 0.0563 -1.0410 C.2 1 UNL1111111111 -0.0194 21 C 4.3836 -0.3589 -0.4019 C.ar 1 UNL1111111111 -0.1231 22 C 0.0428 3.9250 -1.1380 C.3 1 UNL1111111111 -0.1860 23 C 4.6642 0.0005 0.9252 C.ar 1 UNL1111111111 -0.0533 24 C 5.3079 -1.1182 -1.1305 C.ar 1 UNL1111111111 -0.0554 25 C 5.8484 -0.3966 1.5278 C.ar 1 UNL1111111111 -0.2580 26 C 6.4968 -1.5366 -0.5437 C.ar 1 UNL1111111111 -0.3210 27 C 6.7480 -1.1660 0.7795 C.ar 1 UNL1111111111 0.3081 28 H -3.8445 -1.0879 1.8602 H 1 UNL1111111111 0.1699 29 H -3.0600 -2.0232 0.5898 H 1 UNL1111111111 0.1814 30 H -4.6187 -0.2861 -0.9875 H 1 UNL1111111111 0.1360 31 H -2.1881 3.4374 1.1660 H 1 UNL1111111111 0.1966 32 H -6.7167 -3.7891 0.3277 H 1 UNL1111111111 0.1518 33 H -6.6921 -2.3027 1.2925 H 1 UNL1111111111 0.1687 34 H -5.3306 -3.4235 1.3655 H 1 UNL1111111111 0.1617 35 H -6.5240 0.0756 0.2463 H 1 UNL1111111111 0.3336 36 H -5.6502 -3.7199 -1.9512 H 1 UNL1111111111 0.1512 37 H -4.7700 -2.2473 -2.4698 H 1 UNL1111111111 0.1524 38 H -0.2876 -1.5295 -0.9508 H 1 UNL1111111111 0.3381 39 H 1.8751 0.1241 0.6872 H 1 UNL1111111111 0.1775 40 H -4.7536 1.0309 1.4073 H 1 UNL1111111111 0.3760 41 H 3.1924 0.2017 -2.1294 H 1 UNL1111111111 0.1674 42 H 0.8666 4.6440 -1.0538 H 1 UNL1111111111 0.1490 43 H -0.9242 4.4362 -1.1503 H 1 UNL1111111111 0.1314 44 H 0.1685 3.2901 -2.0241 H 1 UNL1111111111 0.1475 45 H 3.9486 0.6078 1.4845 H 1 UNL1111111111 0.1638 46 H 5.0929 -1.3907 -2.1653 H 1 UNL1111111111 0.1545 47 H 6.0895 -0.1268 2.5533 H 1 UNL1111111111 0.1796 48 H 7.2105 -2.1322 -1.1018 H 1 UNL1111111111 0.1631 49 H 8.4872 -2.0644 0.8694 H 1 UNL1111111111 0.3291 @BOND 1 1 9 1 2 1 35 1 3 2 10 1 4 2 38 1 5 3 14 1 6 3 22 1 7 4 11 1 8 4 40 1 9 5 16 2 10 6 27 1 11 6 49 1 12 7 8 1 13 7 9 1 14 7 28 1 15 7 29 1 16 8 10 ar 17 8 11 ar 18 9 13 1 19 9 30 1 20 10 12 ar 21 11 15 ar 22 12 14 ar 23 12 16 1 24 13 17 1 25 13 18 2 26 14 15 ar 27 15 31 1 28 16 19 1 29 17 32 1 30 17 33 1 31 17 34 1 32 18 36 1 33 18 37 1 34 19 20 2 35 19 39 1 36 20 21 1 37 20 41 1 38 21 23 ar 39 21 24 ar 40 22 42 1 41 22 43 1 42 22 44 1 43 23 25 ar 44 23 45 1 45 24 26 ar 46 24 46 1 47 25 27 ar 48 25 47 1 49 26 27 ar 50 26 48 1