@MOLECULE 9,10-dihydroxy-6-(4-hydroxy-3-methoxybenzyl)-5-(4-hydroxy-2-methoxyphenyl)-1,3-dimethoxy-2h-benzo[a]xanthen-2-one 72 77 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O 1.9844 -1.2068 -1.2641 O.2 1 UNL1 -0.2373 2 O 2.7823 3.4914 0.4882 O.3 1 UNL1 -0.3104 3 O -1.8255 5.1986 0.8145 O.3 1 UNL1 -0.2969 4 O -2.4481 -0.5689 1.1668 O.3 1 UNL1 -0.3416 5 O 1.0233 5.6928 0.6800 O.2 1 UNL1 -0.4780 6 O 7.1389 -1.8701 0.4501 O.3 1 UNL1 -0.4207 7 O 5.9975 -3.6920 -1.0178 O.3 1 UNL1 -0.4071 8 O -0.8068 -3.6585 2.3286 O.3 1 UNL1 -0.3057 9 O -6.4707 -0.0380 -1.3451 O.3 1 UNL1 -0.4733 10 O -3.2598 -4.9680 1.6086 O.3 1 UNL1 -0.4832 11 C -0.1010 -0.2308 -1.2073 C.ar 1 UNL1 -0.1390 12 C -0.9729 0.8322 -0.7854 C.ar 1 UNL1 0.1456 13 C -0.4736 1.9938 -0.2530 C.ar 1 UNL1 -0.1020 14 C 0.9559 2.1709 -0.0459 C.ar 1 UNL1 -0.0133 15 C 1.8114 1.0085 -0.2105 C.ar 1 UNL1 -0.0872 16 C 1.2228 -0.1230 -0.8967 C.ar 1 UNL1 0.2172 17 C -0.6400 -1.4250 -1.9278 C.3 1 UNL1 -0.2556 18 C -2.4198 0.6260 -0.9163 C.ar 1 UNL1 -0.1732 19 C 3.0866 0.9052 0.2551 C.ar 1 UNL1 -0.0373 20 C 1.4424 3.4062 0.2834 C.ar 1 UNL1 0.0320 21 C -1.3500 3.0842 0.1018 C.ar 1 UNL1 -0.2041 22 C 3.8549 -0.2740 -0.0373 C.ar 1 UNL1 -0.1561 23 C 3.2668 -1.2760 -0.8114 C.ar 1 UNL1 0.2565 24 C -1.3226 -2.3868 -0.9974 C.ar 1 UNL1 0.0310 25 C -0.8713 4.2950 0.4719 C.ar 1 UNL1 0.0704 26 C 0.5764 4.5792 0.4980 C.ar 1 UNL1 0.4062 27 C -3.1247 -0.0288 0.1035 C.ar 1 UNL1 0.3043 28 C -3.1106 1.0532 -2.0534 C.ar 1 UNL1 -0.0466 29 C 5.1796 -0.4570 0.4080 C.ar 1 UNL1 -0.1950 30 C 3.9410 -2.4509 -1.1800 C.ar 1 UNL1 -0.3559 31 C -0.7943 -2.6357 0.2688 C.ar 1 UNL1 -0.2013 32 C -2.4902 -3.0314 -1.4106 C.ar 1 UNL1 -0.1857 33 C -4.4959 -0.2658 0.0128 C.ar 1 UNL1 -0.3842 34 C 5.8625 -1.6067 0.0660 C.ar 1 UNL1 0.1456 35 C -4.4752 0.8272 -2.1805 C.ar 1 UNL1 -0.2892 36 C 5.2429 -2.6102 -0.7358 C.ar 1 UNL1 0.2731 37 C -5.1435 0.1616 -1.1453 C.ar 1 UNL1 0.3253 38 C -1.4517 -3.5066 1.1423 C.ar 1 UNL1 0.1793 39 C -3.1513 -3.9046 -0.5501 C.ar 1 UNL1 -0.2311 40 C -2.6371 -4.1329 0.7229 C.ar 1 UNL1 0.1379 41 C 3.4110 4.7434 0.2257 C.3 1 UNL1 -0.1890 42 C -1.4135 6.5227 1.1295 C.3 1 UNL1 -0.1930 43 C -2.2858 0.3397 2.2520 C.3 1 UNL1 -0.1951 44 C -1.4996 -4.3417 3.3650 C.3 1 UNL1 -0.1918 45 H 0.1685 -1.9656 -2.4724 H 1 UNL1 0.1657 46 H -1.3422 -1.0888 -2.7249 H 1 UNL1 0.1616 47 H 3.5661 1.6763 0.8621 H 1 UNL1 0.1848 48 H -2.4289 2.9147 0.0546 H 1 UNL1 0.1846 49 H -2.5686 1.5704 -2.8475 H 1 UNL1 0.1616 50 H 5.6495 0.3118 1.0178 H 1 UNL1 0.1681 51 H 3.4376 -3.2002 -1.7838 H 1 UNL1 0.1899 52 H 0.1190 -2.1424 0.6011 H 1 UNL1 0.1802 53 H -2.8966 -2.8463 -2.4018 H 1 UNL1 0.1551 54 H -5.0119 -0.7862 0.8100 H 1 UNL1 0.1780 55 H -5.0272 1.1511 -3.0578 H 1 UNL1 0.1774 56 H -4.0636 -4.3985 -0.8699 H 1 UNL1 0.1538 57 H 3.0427 5.2057 -0.6938 H 1 UNL1 0.1412 58 H 3.2638 5.4148 1.0799 H 1 UNL1 0.1504 59 H 4.4636 4.4538 0.1247 H 1 UNL1 0.1361 60 H -2.3731 7.0103 1.3430 H 1 UNL1 0.1406 61 H -0.9150 6.9951 0.2771 H 1 UNL1 0.1449 62 H -0.7639 6.5335 2.0106 H 1 UNL1 0.1426 63 H -1.7015 1.2148 1.9441 H 1 UNL1 0.1462 64 H -3.2572 0.6314 2.6587 H 1 UNL1 0.1245 65 H -1.7205 -0.2619 2.9757 H 1 UNL1 0.1542 66 H 7.4954 -1.1460 1.0247 H 1 UNL1 0.3170 67 H 5.4992 -4.3546 -1.5668 H 1 UNL1 0.3242 68 H -6.8923 -0.5245 -0.5959 H 1 UNL1 0.3290 69 H -4.0833 -5.3471 1.2202 H 1 UNL1 0.3211 70 H -1.6071 -5.4033 3.1168 H 1 UNL1 0.1427 71 H -2.4751 -3.8847 3.5581 H 1 UNL1 0.1396 72 H -0.8272 -4.2065 4.2209 H 1 UNL1 0.1402 @BOND 1 55 35 1 2 49 28 1 3 46 17 1 4 45 17 1 5 53 32 1 6 35 28 ar 7 35 37 ar 8 28 18 ar 9 17 11 1 10 17 24 1 11 51 30 1 12 67 7 1 13 32 24 ar 14 32 39 ar 15 9 37 1 16 9 68 1 17 1 16 ar 18 1 23 ar 19 11 16 ar 20 11 12 ar 21 30 23 ar 22 30 36 ar 23 37 33 ar 24 7 36 1 25 24 31 ar 26 18 12 1 27 18 27 ar 28 16 15 ar 29 56 39 1 30 23 22 ar 31 12 13 ar 32 36 34 ar 33 57 41 1 34 39 40 ar 35 13 14 ar 36 13 21 ar 37 15 14 ar 38 15 19 ar 39 14 20 ar 40 22 19 ar 41 22 29 ar 42 33 27 ar 43 33 54 1 44 48 21 1 45 34 29 ar 46 34 6 1 47 21 25 ar 48 27 4 1 49 59 41 1 50 41 2 1 51 41 58 1 52 19 47 1 53 31 52 1 54 31 38 ar 55 61 42 1 56 20 2 1 57 20 26 ar 58 29 50 1 59 6 66 1 60 25 26 ar 61 25 3 1 62 26 5 2 63 40 38 ar 64 40 10 1 65 3 42 1 66 42 60 1 67 42 62 1 68 38 8 1 69 4 43 1 70 69 10 1 71 63 43 1 72 43 64 1 73 43 65 1 74 8 44 1 75 70 44 1 76 44 71 1 77 44 72 1