@MOLECULE 5,8-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4h-chromen-7-yl 2-o-beta-d-allopyranosyl-beta-d-glucopyranoside 73 77 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C 3.0556 0.7607 -0.1681 C.3 1 UNL1 0.0352 2 C 3.9415 -1.3169 0.5710 C.3 1 UNL1 0.2904 3 C 1.8956 1.6365 0.3544 C.3 1 UNL1 0.3006 4 C 3.9768 -2.1150 1.8952 C.3 1 UNL1 0.0296 5 C 4.3031 1.6109 -0.4644 C.3 1 UNL1 0.0850 6 C 4.4173 -3.5606 1.5960 C.3 1 UNL1 0.0686 7 C 3.9657 2.9079 -1.2306 C.3 1 UNL1 0.0407 8 C 3.5277 -4.1732 0.4899 C.3 1 UNL1 0.0790 9 C 3.5397 -3.2401 -0.7404 C.3 1 UNL1 0.0279 10 C 2.7745 3.6354 -0.5836 C.3 1 UNL1 0.0149 11 C -0.7384 2.6455 0.7648 C.ar 1 UNL1 -0.4023 12 C -5.3994 -2.2230 0.1280 C.ar 1 UNL1 -0.0218 13 C -7.2283 -0.7729 -0.5520 C.ar 1 UNL1 -0.0204 14 C -8.0319 -1.8816 -0.7916 C.ar 1 UNL1 -0.3300 15 C -6.1833 -3.3413 -0.1051 C.ar 1 UNL1 -0.2665 16 C 2.2130 4.7637 -1.4655 C.3 1 UNL1 -0.0170 17 C 2.5424 -3.6729 -1.8189 C.3 1 UNL1 -0.0171 18 H 4.8606 -0.6242 2.8385 H 1 UNL1 0.3382 19 H 5.8882 1.2748 -1.6006 H 1 UNL1 0.3381 20 H 6.3199 -3.0250 1.6166 H 1 UNL1 0.3493 21 H -0.2969 -1.0809 -0.2230 H 1 UNL1 0.3345 22 H -3.3057 4.4975 1.2871 H 1 UNL1 0.3896 23 H 5.0597 4.5491 -1.5169 H 1 UNL1 0.3272 24 H 4.9723 -5.4235 -0.0071 H 1 UNL1 0.3383 25 H -9.1231 -4.1130 -1.0786 H 1 UNL1 0.3317 26 H 2.8401 -1.9847 -2.7897 H 1 UNL1 0.3218 27 H 0.6687 5.2715 -0.3354 H 1 UNL1 0.3317 28 C -1.4982 0.3985 0.1529 C.ar 1 UNL1 0.0122 29 C -0.4684 1.3391 0.3807 C.ar 1 UNL1 0.2776 30 C -2.0777 3.0394 0.8876 C.ar 1 UNL1 0.4166 31 C -5.9194 -0.9356 -0.0849 C.ar 1 UNL1 -0.1670 32 C -7.4955 -3.1516 -0.5602 C.ar 1 UNL1 0.3290 33 O -4.8528 3.6762 1.0734 O.2 1 UNL1 -0.5397 34 O 4.9834 -1.5941 2.7385 O.3 1 UNL1 -0.5577 35 O 5.0934 0.7833 -1.2926 O.3 1 UNL1 -0.5574 36 O 5.7207 -3.5589 1.0450 O.3 1 UNL1 -0.5723 37 O -1.2750 -0.9021 -0.1892 O.3 1 UNL1 -0.4217 38 O -2.2961 4.3117 1.2318 O.3 1 UNL1 -0.4685 39 O 5.1431 3.6755 -1.0846 O.3 1 UNL1 -0.5573 40 O 3.9943 -5.4434 0.1285 O.3 1 UNL1 -0.5293 41 O -8.2039 -4.2874 -0.7580 O.3 1 UNL1 -0.4634 42 O 2.7722 -2.9403 -3.0032 O.3 1 UNL1 -0.5374 43 O 1.5059 5.6752 -0.6616 O.3 1 UNL1 -0.5317 44 O 3.3379 -0.0943 0.9254 O.3 1 UNL1 -0.4395 45 O 0.7633 0.8006 0.1894 O.3 1 UNL1 -0.3469 46 C -4.5329 2.5330 0.7767 C.ar 1 UNL1 0.5568 47 C -5.0908 0.2345 0.1853 C.ar 1 UNL1 0.3147 48 C -2.8212 0.8222 0.2873 C.ar 1 UNL1 0.2591 49 C -3.1340 2.1387 0.6513 C.ar 1 UNL1 -0.4305 50 O -3.7748 -0.1235 0.0377 O.2 1 UNL1 -0.2138 51 O 3.0564 -1.9663 -0.3277 O.3 1 UNL1 -0.4745 52 O 1.6860 2.7314 -0.5118 O.3 1 UNL1 -0.4411 53 C -5.4965 1.4734 0.5328 C.ar 1 UNL1 -0.4487 54 H 2.7442 0.1766 -1.0672 H 1 UNL1 0.1868 55 H 4.9289 -1.1462 0.0925 H 1 UNL1 0.1548 56 H 1.9845 1.9638 1.4088 H 1 UNL1 0.1427 57 H 3.0005 -2.0690 2.4245 H 1 UNL1 0.1551 58 H 4.8806 1.8347 0.4629 H 1 UNL1 0.1544 59 H -6.5448 1.7327 0.6596 H 1 UNL1 0.2004 60 H 4.4336 -4.1855 2.5152 H 1 UNL1 0.1503 61 H 3.7943 2.6982 -2.3095 H 1 UNL1 0.1512 62 H 2.4951 -4.3654 0.8577 H 1 UNL1 0.1586 63 H 4.5660 -3.1363 -1.1617 H 1 UNL1 0.1586 64 H 3.0288 4.0152 0.4318 H 1 UNL1 0.1571 65 H 0.0462 3.3714 0.9561 H 1 UNL1 0.1984 66 H -4.3698 -2.3449 0.4804 H 1 UNL1 0.1754 67 H -7.6230 0.2296 -0.7338 H 1 UNL1 0.1622 68 H -9.0482 -1.7611 -1.1504 H 1 UNL1 0.1659 69 H -5.8063 -4.3490 0.0554 H 1 UNL1 0.1831 70 H 3.0136 5.3811 -1.9115 H 1 UNL1 0.1401 71 H 1.5549 4.3654 -2.2626 H 1 UNL1 0.1450 72 H 2.7000 -4.7282 -2.1172 H 1 UNL1 0.1631 73 H 1.4944 -3.5188 -1.5030 H 1 UNL1 0.1321 @BOND 1 42 26 1 2 42 17 1 3 61 7 1 4 71 16 1 5 72 17 1 6 70 16 1 7 17 73 1 8 17 9 1 9 19 35 1 10 23 39 1 11 16 43 1 12 16 10 1 13 35 5 1 14 7 39 1 15 7 10 1 16 7 5 1 17 63 9 1 18 68 14 1 19 25 41 1 20 54 1 1 21 14 32 ar 22 14 13 ar 23 41 32 1 24 9 51 1 25 9 8 1 26 67 13 1 27 43 27 1 28 10 52 1 29 10 64 1 30 32 15 ar 31 13 31 ar 32 52 3 1 33 5 1 1 34 5 58 1 35 51 2 1 36 21 37 1 37 37 28 1 38 1 3 1 39 1 44 1 40 15 69 1 41 15 12 ar 42 31 12 ar 43 31 47 1 44 24 40 1 45 50 47 ar 46 50 48 ar 47 55 2 1 48 12 66 1 49 40 8 1 50 28 48 ar 51 28 29 ar 52 47 53 ar 53 45 3 1 54 45 29 1 55 48 49 ar 56 3 56 1 57 29 11 ar 58 8 62 1 59 8 6 1 60 53 59 1 61 53 46 ar 62 2 44 1 63 2 4 1 64 49 46 ar 65 49 30 ar 66 11 30 ar 67 11 65 1 68 46 33 2 69 30 38 1 70 36 6 1 71 36 20 1 72 38 22 1 73 6 4 1 74 6 60 1 75 4 57 1 76 4 34 1 77 34 18 1