@MOLECULE 5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4h-chromen-3-yl 4-o-(6-o-acetyl-beta-d-glucopyranosyl)-6-deoxy-beta-d-gulopyranoside 77 81 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O 2.0694 1.2055 0.7815 O.3 1 UNL1 -0.3778 2 O 3.9675 0.3486 -0.0292 O.3 1 UNL1 -0.4468 3 O -0.2042 0.5326 -0.5695 O.3 1 UNL1 -0.4407 4 O 0.5941 3.8508 -1.0777 O.3 1 UNL1 -0.5646 5 O 3.4792 1.2210 3.3962 O.3 1 UNL1 -0.5541 6 O 4.1343 -1.7094 3.4565 O.3 1 UNL1 -0.5569 7 O -1.1861 3.7152 0.9417 O.3 1 UNL1 -0.5802 8 O -1.8274 0.8574 0.9313 O.3 1 UNL1 -0.3113 9 O 6.2241 -2.0881 1.4334 O.3 1 UNL1 -0.5418 10 O 6.3198 0.1657 -1.8740 O.3 1 UNL1 -0.4442 11 O -4.1909 -1.6317 -0.2626 O.2 1 UNL1 -0.2557 12 O -4.1002 2.3429 0.7021 O.2 1 UNL1 -0.5539 13 O 4.6723 0.3788 -3.3984 O.2 1 UNL1 -0.4995 14 O -6.7394 2.3932 0.4532 O.3 1 UNL1 -0.4551 15 O -8.7777 -1.6450 -0.9250 O.3 1 UNL1 -0.4543 16 O 1.2852 -4.5241 -0.4482 O.3 1 UNL1 -0.4691 17 C 1.7749 1.9327 -0.4033 C.3 1 UNL1 0.0292 18 C 0.9277 3.1288 0.0894 C.3 1 UNL1 0.0907 19 C 3.4279 1.0541 1.0821 C.3 1 UNL1 0.2871 20 C 0.9143 1.0211 -1.3019 C.3 1 UNL1 0.1379 21 C 3.3994 0.2295 2.3921 C.3 1 UNL1 0.0702 22 C 4.6016 -0.7152 2.5661 C.3 1 UNL1 0.0391 23 C -0.3304 2.5993 0.7960 C.3 1 UNL1 0.0429 24 C 5.0411 -1.3562 1.2425 C.3 1 UNL1 0.0365 25 C 5.2248 -0.2514 0.1858 C.3 1 UNL1 0.0348 26 C -1.0503 1.5348 -0.0579 C.3 1 UNL1 0.2516 27 C 1.6487 -0.2389 -1.7280 C.3 1 UNL1 -0.4705 28 C 5.6040 -0.8460 -1.1753 C.3 1 UNL1 -0.0406 29 C -2.9651 0.2873 0.4413 C.ar 1 UNL1 -0.1155 30 C -3.0072 -1.0199 0.0799 C.ar 1 UNL1 0.2762 31 C -4.1467 1.1450 0.4494 C.ar 1 UNL1 0.5301 32 C 5.7100 0.7669 -2.9332 C.2 1 UNL1 0.6392 33 C -5.3734 0.4550 0.1115 C.ar 1 UNL1 -0.4871 34 C -1.9132 -1.9672 -0.0376 C.ar 1 UNL1 -0.1608 35 C -5.3448 -0.9033 -0.2373 C.ar 1 UNL1 0.3783 36 C 6.5444 1.9126 -3.3907 C.3 1 UNL1 -0.5158 37 C -6.6294 1.1098 0.1155 C.ar 1 UNL1 0.4813 38 C -6.4840 -1.6179 -0.5860 C.ar 1 UNL1 -0.4235 39 C -0.7395 -1.7885 0.7152 C.ar 1 UNL1 0.0242 40 C -2.0169 -3.0399 -0.9340 C.ar 1 UNL1 -0.0147 41 C -7.8037 0.4333 -0.2282 C.ar 1 UNL1 -0.4951 42 C -7.6991 -0.9162 -0.5737 C.ar 1 UNL1 0.4360 43 C 0.3262 -2.6653 0.5702 C.ar 1 UNL1 -0.2754 44 C -0.9593 -3.9260 -1.0956 C.ar 1 UNL1 -0.3477 45 C 0.2010 -3.7174 -0.3430 C.ar 1 UNL1 0.3322 46 H 2.6820 2.2718 -0.9414 H 1 UNL1 0.1519 47 H 1.5047 3.8071 0.7540 H 1 UNL1 0.1426 48 H 3.9486 2.0281 1.1757 H 1 UNL1 0.1313 49 H 0.5387 1.6046 -2.1759 H 1 UNL1 0.1380 50 H 2.4366 -0.3312 2.4866 H 1 UNL1 0.1740 51 H 5.4468 -0.1905 3.0694 H 1 UNL1 0.1402 52 H -0.0871 2.2068 1.8113 H 1 UNL1 0.1654 53 H 4.3183 -2.1386 0.9039 H 1 UNL1 0.1834 54 H 5.9631 0.5181 0.5026 H 1 UNL1 0.1389 55 H -1.6709 1.9522 -0.8747 H 1 UNL1 0.1339 56 H 2.5467 0.0014 -2.3139 H 1 UNL1 0.1730 57 H 1.0079 -0.8885 -2.3341 H 1 UNL1 0.1530 58 H 1.9723 -0.8198 -0.8513 H 1 UNL1 0.1742 59 H 4.7119 -1.1887 -1.7382 H 1 UNL1 0.1753 60 H 6.3307 -1.6756 -1.0787 H 1 UNL1 0.1590 61 H -0.2132 4.3899 -0.8991 H 1 UNL1 0.3466 62 H 3.2492 0.8357 4.2693 H 1 UNL1 0.3350 63 H 4.7126 -2.5031 3.4143 H 1 UNL1 0.3355 64 H -2.1230 3.4129 1.0620 H 1 UNL1 0.3603 65 H 6.9773 -1.5113 1.6769 H 1 UNL1 0.3176 66 H 7.5812 1.8575 -3.0252 H 1 UNL1 0.1829 67 H 6.5720 1.9601 -4.4909 H 1 UNL1 0.1865 68 H 6.1181 2.8644 -3.0318 H 1 UNL1 0.1896 69 H -6.4490 -2.6689 -0.8528 H 1 UNL1 0.2033 70 H -0.6562 -0.9476 1.4147 H 1 UNL1 0.1888 71 H -2.9297 -3.1787 -1.5180 H 1 UNL1 0.1626 72 H -8.7508 0.9581 -0.2199 H 1 UNL1 0.1926 73 H 1.2451 -2.5405 1.1378 H 1 UNL1 0.1818 74 H -1.0325 -4.7535 -1.7911 H 1 UNL1 0.1636 75 H -5.8153 2.7959 0.6535 H 1 UNL1 0.3887 76 H -9.6177 -1.1174 -0.9068 H 1 UNL1 0.3371 77 H 1.1592 -5.2421 -1.1144 H 1 UNL1 0.3286 @BOND 1 67 36 1 2 13 32 2 3 36 68 1 4 36 66 1 5 36 32 1 6 32 10 1 7 57 27 1 8 56 27 1 9 49 20 1 10 10 28 1 11 74 44 1 12 59 28 1 13 27 20 1 14 27 58 1 15 71 40 1 16 20 3 1 17 20 17 1 18 28 60 1 19 28 25 1 20 77 16 1 21 44 40 ar 22 44 45 ar 23 4 61 1 24 4 18 1 25 46 17 1 26 40 34 ar 27 15 76 1 28 15 42 1 29 55 26 1 30 69 38 1 31 38 42 ar 32 38 35 ar 33 42 41 ar 34 3 26 1 35 16 45 1 36 17 18 1 37 17 1 1 38 45 43 ar 39 11 35 ar 40 11 30 ar 41 35 33 ar 42 41 72 1 43 41 37 ar 44 26 23 1 45 26 8 1 46 34 30 1 47 34 39 ar 48 2 25 1 49 2 19 1 50 30 29 ar 51 18 47 1 52 18 23 1 53 33 37 ar 54 33 31 ar 55 37 14 1 56 25 54 1 57 25 24 1 58 29 31 ar 59 29 8 1 60 31 12 2 61 14 75 1 62 43 39 ar 63 43 73 1 64 39 70 1 65 1 19 1 66 23 7 1 67 23 52 1 68 53 24 1 69 7 64 1 70 19 48 1 71 19 21 1 72 24 9 1 73 24 22 1 74 9 65 1 75 21 50 1 76 21 22 1 77 21 5 1 78 22 51 1 79 22 6 1 80 5 62 1 81 63 6 1