@MOLECULE (3ar,8as,13br,13cs)-8a-(2,4-dihydroxyphenyl)-6-(6-hydroxy-1-benzofuran-2-yl)-2-methyl-1,8a,13b,13c-tetrahydro-3ah-benzo[3,4]isochromeno[1,8-bc]chromene-4,11-diol 57 64 0 0 0 SMALL GASTEIGER @ATOM 1 O -2.6749 -0.4109 -1.6040 O.3 1 UNL111111 -0.3350 2 O -0.6985 0.1435 -0.7337 O.3 1 UNL111111 -0.3341 3 O 0.3083 1.3258 3.7820 O.3 1 UNL111111 -0.3832 4 O -0.4588 2.7791 -0.1521 O.3 1 UNL111111 -0.2850 5 O -3.8283 -4.5141 -3.4117 O.3 1 UNL111111 -0.3865 6 O 4.1304 -0.0446 -0.5977 O.2 1 UNL111111 -0.1628 7 O -3.5583 5.5592 -2.3321 O.3 1 UNL111111 -0.2592 8 O 8.4351 -0.7146 -2.7706 O.3 1 UNL111111 -0.2965 9 C -2.5885 -0.0364 0.8186 C.3 1 UNL111111 -0.2132 10 C -2.3331 -1.5404 1.0549 C.3 1 UNL111111 -0.1124 11 C -1.8232 0.7672 1.8925 C.3 1 UNL111111 -0.0815 12 C -2.0943 0.3670 -0.5707 C.3 1 UNL111111 0.4167 13 C -3.0235 -1.9324 2.3731 C.3 1 UNL111111 -0.2896 14 C -2.7561 -2.3546 -0.1150 C.ar 1 UNL111111 -0.0598 15 C -0.3613 0.6647 1.6195 C.ar 1 UNL111111 -0.1768 16 C -2.1910 0.2581 3.2524 C.2 1 UNL111111 -0.2187 17 C -2.7416 -0.9420 3.4652 C.2 1 UNL111111 0.0392 18 C -2.4563 1.7674 -0.9698 C.ar 1 UNL111111 -0.1113 19 C -2.8547 -1.7480 -1.3963 C.ar 1 UNL111111 0.2089 20 C 0.0965 0.3402 0.3551 C.ar 1 UNL111111 0.2149 21 C 0.6211 0.9264 2.6733 C.ar 1 UNL111111 0.4133 22 C -3.0105 -3.7408 -0.0149 C.ar 1 UNL111111 -0.1371 23 C -3.1384 -1.3917 4.8307 C.3 1 UNL111111 -0.4576 24 C 1.4589 0.1512 0.0387 C.ar 1 UNL111111 -0.1387 25 C -3.2081 -2.4322 -2.5313 C.ar 1 UNL111111 -0.2866 26 C -1.5219 2.8911 -0.7502 C.ar 1 UNL111111 0.3061 27 C -3.7085 1.9879 -1.6032 C.ar 1 UNL111111 -0.1642 28 C 2.0349 0.6946 2.3429 C.ar 1 UNL111111 -0.1917 29 C 2.4210 0.3172 1.0606 C.ar 1 UNL111111 0.0071 30 C -3.3719 -4.4807 -1.1101 C.ar 1 UNL111111 -0.2090 31 C -3.4980 -3.8609 -2.4380 C.ar 1 UNL111111 0.4071 32 C -1.9967 4.1178 -1.2805 C.ar 1 UNL111111 -0.0216 33 C -3.9685 3.2324 -2.0121 C.ar 1 UNL111111 -0.0148 34 C -3.2168 4.4582 -1.9309 C.ar 1 UNL111111 0.2962 35 C 3.7928 0.0981 0.7703 C.ar 1 UNL111111 0.0864 36 C 4.9529 -0.0264 1.5159 C.ar 1 UNL111111 0.0507 37 C 6.0721 -0.2486 0.7750 C.ar 1 UNL111111 -0.0505 38 C 5.4997 -0.2364 -0.6479 C.ar 1 UNL111111 0.1044 39 C 7.4340 -0.4603 0.6611 C.ar 1 UNL111111 -0.0151 40 C 6.3215 -0.3868 -1.6776 C.ar 1 UNL111111 -0.1153 41 C 8.1399 -0.6033 -0.3771 C.ar 1 UNL111111 -0.1335 42 C 7.7678 -0.5930 -1.7821 C.ar 1 UNL111111 0.4587 43 H -3.6816 0.1723 0.9038 H 1 UNL111111 0.1773 44 H -1.2224 -1.7075 1.1855 H 1 UNL111111 0.1812 45 H -2.1184 1.8536 1.8304 H 1 UNL111111 0.1718 46 H -2.6884 -2.9417 2.6906 H 1 UNL111111 0.1558 47 H -4.1204 -2.0138 2.2206 H 1 UNL111111 0.1610 48 H -1.9715 0.9491 4.0682 H 1 UNL111111 0.1792 49 H -2.9130 -4.2238 0.9599 H 1 UNL111111 0.1640 50 H -4.1416 -1.8393 4.8389 H 1 UNL111111 0.1549 51 H -3.1503 -0.5666 5.5584 H 1 UNL111111 0.1607 52 H -2.4368 -2.1448 5.2187 H 1 UNL111111 0.1611 53 H 1.7424 -0.1206 -0.9793 H 1 UNL111111 0.1962 54 H -3.2812 -1.9534 -3.5044 H 1 UNL111111 0.1966 55 H -4.4064 1.1564 -1.7625 H 1 UNL111111 0.2102 56 H 2.7530 0.8498 3.1434 H 1 UNL111111 0.1853 57 H -3.5770 -5.5465 -1.0522 H 1 UNL111111 0.1764 @BOND 1 8 42 1 2 42 40 ar 3 42 41 ar 4 40 38 ar 5 41 39 ar 6 38 6 ar 7 38 37 ar 8 39 37 ar 9 6 35 ar 10 37 36 ar 11 5 31 1 12 54 25 1 13 53 24 1 14 25 31 ar 15 25 19 ar 16 31 30 ar 17 35 36 ar 18 35 29 1 19 24 29 ar 20 24 20 ar 21 2 20 1 22 2 12 1 23 1 19 1 24 1 12 1 25 19 14 ar 26 30 57 1 27 30 22 ar 28 29 28 ar 29 7 34 1 30 34 32 ar 31 34 33 ar 32 32 26 ar 33 33 27 ar 34 20 15 ar 35 26 18 ar 36 26 4 1 37 27 18 ar 38 27 55 1 39 18 12 1 40 12 9 1 41 14 22 ar 42 14 10 1 43 22 49 1 44 28 56 1 45 28 21 ar 46 44 10 1 47 15 21 ar 48 15 11 1 49 10 9 1 50 10 13 1 51 9 43 1 52 9 11 1 53 21 3 1 54 11 45 1 55 11 16 1 56 13 46 1 57 13 47 1 58 13 17 1 59 16 17 2 60 16 48 1 61 17 23 1 62 52 23 1 63 23 50 1 64 23 51 1