@MOLECULE 3-[(e)-2-(2-{6-[(e)-2-(3,4-dihydroxyphenyl)vinyl]-4-hydroxy-2-oxo-2h-pyran-3-yl}-4,5-dihydroxyphenyl)vinyl]-8,9-dihydroxy-1h,6h-pyrano[4,3-c]isochromene-1,6-dione 66 71 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O -5.6654 0.3890 1.3154 O.2 1 UNL1 -0.3644 2 O -2.2026 0.9496 -0.7400 O.2 1 UNL1 -0.4002 3 O 3.7841 0.9260 -0.2707 O.2 1 UNL1 -0.4009 4 O -4.8021 -5.0815 -1.8689 O.3 1 UNL1 -0.4112 5 O -6.9554 -5.3272 -0.4011 O.3 1 UNL1 -0.4206 6 O -2.2082 -1.0069 -1.6706 O.2 1 UNL1 -0.4300 7 O -7.3855 -0.7400 2.0244 O.2 1 UNL1 -0.3989 8 O 0.5035 2.2315 1.7810 O.3 1 UNL1 -0.4292 9 O 2.8406 7.4939 -0.1466 O.3 1 UNL1 -0.4182 10 O 0.2977 7.9000 -0.6466 O.3 1 UNL1 -0.4223 11 O 4.0552 2.8442 -1.2571 O.2 1 UNL1 -0.4050 12 O 6.7876 -5.3423 2.1472 O.3 1 UNL1 -0.4176 13 O 7.1746 -6.6357 -0.0922 O.3 1 UNL1 -0.4142 14 C -4.7913 -1.7645 -0.2952 C.ar 1 UNL1 0.2028 15 C -4.0624 -0.5264 -0.2103 C.ar 1 UNL1 -0.4539 16 C -5.9583 -1.8921 0.4741 C.ar 1 UNL1 -0.2548 17 C -4.5475 0.4940 0.5964 C.ar 1 UNL1 0.4589 18 C 1.6435 4.0175 -0.0329 C.ar 1 UNL1 0.1054 19 C 0.2889 4.2328 -0.3212 C.ar 1 UNL1 -0.0704 20 C -4.3885 -2.8425 -1.1028 C.ar 1 UNL1 -0.3401 21 C -3.8767 1.7349 0.7326 C.ar 1 UNL1 -0.4810 22 C -2.7044 1.9087 0.0472 C.ar 1 UNL1 0.4183 23 C -2.8401 -0.3120 -0.9260 C.ar 1 UNL1 0.6425 24 C -6.7151 -3.0809 0.4623 C.ar 1 UNL1 -0.1624 25 C -6.4285 -0.8079 1.3091 C.ar 1 UNL1 0.6060 26 C 2.1590 2.6764 0.2168 C.ar 1 UNL1 -0.4038 27 C -5.1319 -4.0109 -1.1182 C.ar 1 UNL1 0.2883 28 C -6.3065 -4.1368 -0.3230 C.ar 1 UNL1 0.1416 29 C -0.6183 3.0962 -0.4259 C.2 1 UNL1 0.0398 30 C -1.8567 3.0811 0.1029 C.2 1 UNL1 -0.3062 31 C 2.5239 5.1085 0.0292 C.ar 1 UNL1 -0.2702 32 C -0.1926 5.5355 -0.5249 C.ar 1 UNL1 -0.2340 33 C 1.5839 1.7982 1.1091 C.ar 1 UNL1 0.4485 34 C 2.0507 6.3943 -0.1875 C.ar 1 UNL1 0.2220 35 C 0.6789 6.6104 -0.4601 C.ar 1 UNL1 0.1770 36 C 3.3363 2.2710 -0.4923 C.ar 1 UNL1 0.6263 37 C 2.0869 0.4855 1.3124 C.ar 1 UNL1 -0.5254 38 C 3.1792 0.0995 0.5822 C.ar 1 UNL1 0.4255 39 C 3.8102 -1.2082 0.6345 C.2 1 UNL1 -0.2833 40 C 4.7357 -1.5977 -0.2599 C.2 1 UNL1 -0.0042 41 C 5.3774 -2.9079 -0.2222 C.ar 1 UNL1 -0.0529 42 C 5.7638 -3.4754 1.0031 C.ar 1 UNL1 -0.2413 43 C 5.6101 -3.5890 -1.4157 C.ar 1 UNL1 -0.1185 44 C 6.3724 -4.7210 1.0155 C.ar 1 UNL1 0.1875 45 C 6.2071 -4.8518 -1.4067 C.ar 1 UNL1 -0.2611 46 C 6.5884 -5.4200 -0.1973 C.ar 1 UNL1 0.2111 47 H -3.4913 -2.7573 -1.7183 H 1 UNL1 0.2003 48 H -4.2970 2.5068 1.3717 H 1 UNL1 0.2103 49 H -7.6145 -3.1474 1.0774 H 1 UNL1 0.1794 50 H -0.2131 2.2211 -0.9566 H 1 UNL1 0.1753 51 H -2.2676 3.9380 0.6397 H 1 UNL1 0.1835 52 H 3.5791 4.9366 0.2364 H 1 UNL1 0.1783 53 H -1.2457 5.6924 -0.7463 H 1 UNL1 0.1654 54 H 1.6063 -0.1886 2.0096 H 1 UNL1 0.1921 55 H 3.4696 -1.8622 1.4396 H 1 UNL1 0.1799 56 H -3.9739 -4.9129 -2.3953 H 1 UNL1 0.3270 57 H -7.7685 -5.3288 0.1667 H 1 UNL1 0.3189 58 H 5.0474 -0.9384 -1.0831 H 1 UNL1 0.1778 59 H 0.1399 1.5502 2.4076 H 1 UNL1 0.3374 60 H 3.7941 7.2446 -0.0253 H 1 UNL1 0.3210 61 H -0.6664 7.9612 -0.8643 H 1 UNL1 0.3152 62 H 5.5965 -2.9334 1.9305 H 1 UNL1 0.1665 63 H 5.3180 -3.1427 -2.3667 H 1 UNL1 0.1630 64 H 6.3731 -5.3812 -2.3416 H 1 UNL1 0.1664 65 H 6.6283 -4.7786 2.9469 H 1 UNL1 0.3174 66 H 7.2905 -7.0612 -0.9814 H 1 UNL1 0.3195 @BOND 1 56 4 1 2 63 43 1 3 64 45 1 4 4 27 1 5 47 20 1 6 6 23 2 7 43 45 ar 8 43 41 ar 9 45 46 ar 10 11 36 2 11 27 20 ar 12 27 28 ar 13 20 14 ar 14 58 40 1 15 66 13 1 16 50 29 1 17 23 2 ar 18 23 15 ar 19 61 10 1 20 53 32 1 21 2 22 ar 22 10 35 1 23 32 35 ar 24 32 19 ar 25 36 3 ar 26 36 26 ar 27 35 34 ar 28 29 19 1 29 29 30 2 30 5 28 1 31 5 57 1 32 28 24 ar 33 19 18 ar 34 14 15 ar 35 14 16 ar 36 3 38 ar 37 40 41 1 38 40 39 2 39 41 42 ar 40 15 17 ar 41 46 13 1 42 46 44 ar 43 34 9 1 44 34 31 ar 45 9 60 1 46 18 31 ar 47 18 26 1 48 31 52 1 49 22 30 1 50 22 21 ar 51 30 51 1 52 26 33 ar 53 24 16 ar 54 24 49 1 55 16 25 ar 56 38 39 1 57 38 37 ar 58 17 21 ar 59 17 1 ar 60 39 55 1 61 21 48 1 62 42 44 ar 63 42 62 1 64 44 12 1 65 33 37 ar 66 33 8 1 67 25 1 ar 68 25 7 2 69 37 54 1 70 8 59 1 71 12 65 1