@MOLECULE (2r,3s,8r,9r)-2,8-bis(3,4-dihydroxyphenyl)-9-(3,5-dihydroxyphenyl)-3,4,8,9-tetrahydro-2h-furo[2,3-h]chromene-3,5-diol 63 68 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C 1.4535 0.0447 0.2095 C.3 1 UNL1 -0.1181 2 C 2.8324 -0.1329 0.9384 C.3 1 UNL1 0.0979 3 C -2.4468 -1.4260 -1.1491 C.3 1 UNL1 0.0798 4 C -3.0004 -2.5961 -0.3063 C.3 1 UNL1 0.1179 5 C 1.5073 -3.4762 1.3422 C.ar 1 UNL1 -0.4632 6 C 0.3638 2.2955 0.1853 C.ar 1 UNL1 -0.3985 7 C 0.1267 0.9048 2.1567 C.ar 1 UNL1 -0.3379 8 C 4.6198 1.3503 0.0377 C.ar 1 UNL1 -0.2351 9 C 4.3887 -0.8877 -0.8745 C.ar 1 UNL1 -0.1214 10 C -4.5255 -0.1736 -1.6969 C.ar 1 UNL1 -0.2219 11 C -2.9426 0.8440 -0.1658 C.ar 1 UNL1 -0.1324 12 C -0.9416 3.1111 2.0960 C.ar 1 UNL1 -0.4280 13 C 5.4444 -0.6619 -1.7575 C.ar 1 UNL1 -0.2027 14 C -3.7643 1.9622 -0.0239 C.ar 1 UNL1 -0.2064 15 H 0.5655 -5.7371 1.6737 H 1 UNL1 0.3341 16 H -4.5871 -3.7535 -0.5820 H 1 UNL1 0.3239 17 H -1.6712 2.3625 4.3505 H 1 UNL1 0.3307 18 H -0.4054 4.4827 -0.7275 H 1 UNL1 0.3327 19 H 6.0890 3.3792 -0.2132 H 1 UNL1 0.3395 20 H 7.5074 1.6553 -2.5155 H 1 UNL1 0.3419 21 H -6.8015 0.2509 -2.6562 H 1 UNL1 0.3384 22 H -6.5857 3.0317 -1.0684 H 1 UNL1 0.3396 23 C 0.6261 1.1073 0.8728 C.ar 1 UNL1 0.1421 24 C 0.2628 -3.9604 0.9114 C.ar 1 UNL1 0.3825 25 C 3.9798 0.1057 0.0126 C.ar 1 UNL1 -0.0618 26 C -3.3154 -0.2103 -0.9952 C.ar 1 UNL1 -0.0512 27 C -0.6490 1.9115 2.7434 C.ar 1 UNL1 0.3607 28 C -0.4176 3.2706 0.8103 C.ar 1 UNL1 0.3719 29 C 5.6658 1.5753 -0.8440 C.ar 1 UNL1 0.1385 30 C 6.0847 0.5740 -1.7433 C.ar 1 UNL1 0.2096 31 C -5.3450 0.9342 -1.5484 C.ar 1 UNL1 0.1314 32 C -4.9709 2.0067 -0.7152 C.ar 1 UNL1 0.2090 33 C -1.9803 -3.7362 -0.2228 C.3 1 UNL1 -0.2934 34 O -0.1144 -5.2386 1.1557 O.3 1 UNL1 -0.4703 35 O -4.1339 -3.0219 -1.0437 O.3 1 UNL1 -0.5650 36 O -1.1045 1.6372 3.9890 O.3 1 UNL1 -0.4669 37 O -0.7208 4.4462 0.2093 O.3 1 UNL1 -0.4695 38 O 6.3543 2.7499 -0.9257 O.3 1 UNL1 -0.4930 39 O 7.1030 0.7526 -2.6191 O.3 1 UNL1 -0.4483 40 O -6.5441 1.0797 -2.1856 O.3 1 UNL1 -0.4955 41 O -5.7457 3.1068 -0.5430 O.3 1 UNL1 -0.4517 42 C 0.8665 -1.3201 0.3455 C.ar 1 UNL1 -0.3156 43 C -0.3477 -1.8506 -0.0744 C.ar 1 UNL1 0.3454 44 C 1.7649 -2.1481 1.0403 C.ar 1 UNL1 0.3431 45 C -0.6718 -3.1874 0.2132 C.ar 1 UNL1 -0.2912 46 O 2.9106 -1.5163 1.3966 O.3 1 UNL1 -0.3128 47 O -1.1396 -0.9970 -0.7446 O.3 1 UNL1 -0.3110 48 H 1.6131 0.2903 -0.8710 H 1 UNL1 0.1772 49 H 2.8954 0.4531 1.8802 H 1 UNL1 0.1590 50 H 2.2177 -4.0877 1.8768 H 1 UNL1 0.1843 51 H -2.3321 -1.7311 -2.2169 H 1 UNL1 0.1617 52 H -2.3339 -4.5281 0.4703 H 1 UNL1 0.1646 53 H -1.8863 -4.2389 -1.2108 H 1 UNL1 0.1675 54 H -3.3291 -2.2541 0.6990 H 1 UNL1 0.1402 55 H 0.7444 2.4509 -0.8168 H 1 UNL1 0.1708 56 H 0.3126 -0.0201 2.6974 H 1 UNL1 0.1899 57 H 4.3014 2.1238 0.7314 H 1 UNL1 0.1659 58 H 3.8819 -1.8548 -0.8767 H 1 UNL1 0.1715 59 H -4.8191 -1.0113 -2.3277 H 1 UNL1 0.1761 60 H -1.9966 0.8044 0.3827 H 1 UNL1 0.1808 61 H -1.5428 3.8902 2.5457 H 1 UNL1 0.1843 62 H 5.7746 -1.4319 -2.4524 H 1 UNL1 0.1778 63 H -3.4744 2.7942 0.6167 H 1 UNL1 0.1805 @BOND 1 21 40 1 2 39 20 1 3 39 30 1 4 62 13 1 5 59 10 1 6 51 3 1 7 40 31 1 8 13 30 ar 9 13 9 ar 10 30 29 ar 11 10 31 ar 12 10 26 ar 13 31 32 ar 14 53 33 1 15 3 26 1 16 3 47 1 17 3 4 1 18 22 41 1 19 35 16 1 20 35 4 1 21 26 11 ar 22 38 29 1 23 38 19 1 24 58 9 1 25 9 25 ar 26 48 1 1 27 29 8 ar 28 55 6 1 29 47 43 1 30 18 37 1 31 32 41 1 32 32 14 ar 33 4 33 1 34 4 54 1 35 33 45 1 36 33 52 1 37 11 14 ar 38 11 60 1 39 43 45 ar 40 43 42 ar 41 14 63 1 42 25 8 ar 43 25 2 1 44 8 57 1 45 6 28 ar 46 6 23 ar 47 37 28 1 48 1 42 1 49 1 23 1 50 1 2 1 51 45 24 ar 52 42 44 ar 53 28 12 ar 54 23 7 ar 55 24 34 1 56 24 5 ar 57 2 46 1 58 2 49 1 59 44 5 ar 60 44 46 1 61 34 15 1 62 5 50 1 63 12 61 1 64 12 27 ar 65 7 56 1 66 7 27 ar 67 27 36 1 68 36 17 1