@MOLECULE (1r,5s,6r,7r)-6-(3,5-dihydroxyphenyl)-7-(4-hydroxyphenyl)-4-[(e)-2-(4-hydroxyphenyl)vinyl]bicyclo[3.2.1]oct-3-ene-2,8-dione 53 57 0 0 0 SMALL GASTEIGER @ATOM 1 O -1.8129 3.2019 1.9577 O.2 1 UNL111111 -0.3888 2 O -1.4854 3.1908 -2.2934 O.2 1 UNL111111 -0.4093 3 O 1.1179 -2.6989 -2.5574 O.3 1 UNL111111 -0.4677 4 O 0.8602 -4.0001 1.9749 O.3 1 UNL111111 -0.4615 5 O -7.5130 -1.2538 0.3262 O.3 1 UNL111111 -0.4712 6 O 8.2737 -0.2208 0.4038 O.3 1 UNL111111 -0.3027 7 C -1.3160 0.0770 0.7354 C.3 1 UNL111111 -0.1359 8 C -2.2744 0.6411 -0.3660 C.3 1 UNL111111 -0.0906 9 C -0.4766 1.2967 1.2083 C.3 1 UNL111111 -0.2473 10 C -2.1825 2.1878 -0.2373 C.3 1 UNL111111 -0.3424 11 C -1.5467 2.3938 1.1251 C.2 1 UNL111111 0.4692 12 C 0.5804 1.7003 0.2148 C.2 1 UNL111111 0.0944 13 C -0.4767 -1.0924 0.3197 C.ar 1 UNL111111 0.1416 14 C -1.1617 2.6604 -1.2632 C.2 1 UNL111111 0.4674 15 C -3.6763 0.1508 -0.1919 C.ar 1 UNL111111 -0.1014 16 C 0.2417 2.3535 -0.9193 C.2 1 UNL111111 -0.3237 17 C 1.9610 1.4039 0.5488 C.2 1 UNL111111 -0.1470 18 C -0.1535 -2.0190 1.3083 C.ar 1 UNL111111 -0.3453 19 C -0.0443 -1.2812 -0.9956 C.ar 1 UNL111111 -0.4072 20 C -4.2617 -0.5894 -1.2196 C.ar 1 UNL111111 -0.0710 21 C -4.4034 0.4280 0.9726 C.ar 1 UNL111111 -0.0917 22 C 0.6811 -2.4359 -1.3021 C.ar 1 UNL111111 0.3732 23 C 0.5902 -3.1525 0.9576 C.ar 1 UNL111111 0.3681 24 C -5.5591 -1.0796 -1.0911 C.ar 1 UNL111111 -0.3036 25 C -5.6958 -0.0486 1.1266 C.ar 1 UNL111111 -0.2366 26 C 2.8542 1.0024 -0.3981 C.2 1 UNL111111 -0.1413 27 C 1.0162 -3.3986 -0.3477 C.ar 1 UNL111111 -0.4208 28 C -6.2526 -0.8064 0.0880 C.ar 1 UNL111111 0.2945 29 C 4.2315 0.7403 -0.1608 C.ar 1 UNL111111 0.0361 30 C 4.9487 1.1893 0.9946 C.ar 1 UNL111111 -0.2044 31 C 4.9750 -0.0354 -1.1448 C.ar 1 UNL111111 -0.2074 32 C 6.2369 0.8298 1.0823 C.ar 1 UNL111111 -0.0485 33 C 6.2445 -0.2840 -0.8671 C.ar 1 UNL111111 -0.0486 34 C 7.1109 0.0610 0.2346 C.ar 1 UNL111111 0.3659 35 H -1.9512 -0.2492 1.6055 H 1 UNL111111 0.1738 36 H -1.9039 0.3336 -1.3767 H 1 UNL111111 0.1614 37 H -0.0735 1.1449 2.2288 H 1 UNL111111 0.1819 38 H -3.1593 2.6936 -0.3625 H 1 UNL111111 0.2031 39 H 0.9808 2.7050 -1.6366 H 1 UNL111111 0.1853 40 H 2.2420 1.5034 1.5984 H 1 UNL111111 0.1686 41 H -0.4691 -1.8939 2.3407 H 1 UNL111111 0.1839 42 H -0.2633 -0.5547 -1.7688 H 1 UNL111111 0.1690 43 H -3.7050 -0.7892 -2.1364 H 1 UNL111111 0.1525 44 H -3.9539 1.0266 1.7676 H 1 UNL111111 0.1572 45 H -6.0118 -1.6593 -1.8872 H 1 UNL111111 0.1620 46 H -6.2832 0.1468 2.0187 H 1 UNL111111 0.1779 47 H 2.5087 0.8315 -1.4269 H 1 UNL111111 0.1680 48 H 1.5705 -4.2868 -0.6238 H 1 UNL111111 0.1885 49 H 0.8101 -2.0295 -3.2164 H 1 UNL111111 0.3305 50 H 1.3912 -4.7822 1.6849 H 1 UNL111111 0.3339 51 H -7.8884 -1.7551 -0.4355 H 1 UNL111111 0.3286 52 H 4.4570 1.7990 1.7490 H 1 UNL111111 0.1887 53 H 4.4747 -0.3917 -2.0444 H 1 UNL111111 0.1905 @BOND 1 38 10 1 2 1 11 2 3 2 14 2 4 14 10 1 5 14 16 1 6 10 11 1 7 10 8 1 8 11 9 1 9 46 25 1 10 44 21 1 11 39 16 1 12 16 12 2 13 25 21 ar 14 25 28 ar 15 21 15 ar 16 5 28 1 17 5 51 1 18 28 24 ar 19 15 8 1 20 15 20 ar 21 8 36 1 22 8 7 1 23 12 9 1 24 12 17 1 25 9 37 1 26 9 7 1 27 24 20 ar 28 24 45 1 29 20 43 1 30 17 40 1 31 17 26 2 32 7 35 1 33 7 13 1 34 47 26 1 35 52 30 1 36 26 29 1 37 42 19 1 38 30 29 ar 39 30 32 ar 40 13 19 ar 41 13 18 ar 42 29 31 ar 43 19 22 ar 44 32 34 ar 45 41 18 1 46 31 53 1 47 31 33 ar 48 18 23 ar 49 49 3 1 50 34 33 ar 51 34 6 1 52 22 3 1 53 22 27 ar 54 23 27 ar 55 23 4 1 56 27 48 1 57 4 50 1