@MOLECULE 3,5,8-trihydroxy-2-(4-hydroxyphenyl)-4-oxo-4h-chromen-7-yl 6-deoxy-3-o-beta-d-glucopyranosyl-alpha-l-mannopyranoside 73 77 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O -1.8299 -2.0544 -0.9401 O.3 1 UNL1 -0.3841 2 O -0.2026 -0.7344 -1.7252 O.3 1 UNL1 -0.4608 3 O -5.2184 -0.1794 0.4945 O.3 1 UNL1 -0.3664 4 O -3.3543 -3.2219 1.1266 O.3 1 UNL1 -0.5569 5 O -3.8613 -0.4510 -2.0524 O.3 1 UNL1 -0.5259 6 O -3.6107 1.2521 1.1440 O.3 1 UNL1 -0.4511 7 O 0.0542 -3.9527 -0.1461 O.3 1 UNL1 -0.5517 8 O 2.3865 -3.8668 -1.8481 O.3 1 UNL1 -0.5574 9 O 3.4136 -1.1273 -2.0429 O.3 1 UNL1 -0.5432 10 O 0.6160 1.9758 -2.2061 O.3 1 UNL1 -0.5473 11 O -1.3303 0.3506 2.3715 O.3 1 UNL1 -0.4334 12 O 1.0190 1.2904 1.6642 O.2 1 UNL1 -0.1944 13 O -1.1366 4.7118 -0.9667 O.3 1 UNL1 -0.4439 14 O 1.5334 4.5534 -0.7128 O.2 1 UNL1 -0.5158 15 O 3.6759 2.8817 -0.2098 O.3 1 UNL1 -0.4352 16 O 5.6408 -2.8164 1.7687 O.3 1 UNL1 -0.4607 17 C -2.6614 -1.2671 -0.0991 C.3 1 UNL1 -0.0273 18 C -3.8289 -2.1822 0.2991 C.3 1 UNL1 0.0775 19 C -3.1851 -0.0597 -0.8804 C.3 1 UNL1 0.0117 20 C -0.4657 -1.7703 -0.7826 C.3 1 UNL1 0.2829 21 C 0.2932 -3.0462 -1.2006 C.3 1 UNL1 0.0672 22 C 1.7979 -2.7222 -1.2669 C.3 1 UNL1 0.0350 23 C -4.7922 -1.3588 1.1860 C.3 1 UNL1 0.1127 24 C 2.0604 -1.4860 -2.1467 C.3 1 UNL1 0.0379 25 C 1.1497 -0.3167 -1.7308 C.3 1 UNL1 0.0136 26 C -4.2547 0.6560 -0.0222 C.3 1 UNL1 0.3155 27 C -6.0887 -2.1070 1.4477 C.3 1 UNL1 -0.4607 28 C 1.1868 0.8159 -2.7664 C.3 1 UNL1 -0.0109 29 C -2.4587 1.9234 0.8863 C.ar 1 UNL1 0.2764 30 C -1.3083 1.4108 1.5141 C.ar 1 UNL1 -0.0017 31 C -2.4075 3.0415 0.0591 C.ar 1 UNL1 -0.3898 32 C -0.0631 1.9466 1.1704 C.ar 1 UNL1 0.2573 33 C -1.1599 3.6263 -0.1903 C.ar 1 UNL1 0.4110 34 C 0.0275 3.0526 0.3149 C.ar 1 UNL1 -0.4158 35 C 1.3364 3.5272 -0.0819 C.ar 1 UNL1 0.5056 36 C 2.2444 1.5348 1.0677 C.ar 1 UNL1 0.1237 37 C 2.4446 2.6327 0.2992 C.ar 1 UNL1 0.0209 38 C 3.1396 0.4260 1.3485 C.ar 1 UNL1 -0.1244 39 C 4.5160 0.5336 1.0991 C.ar 1 UNL1 -0.0500 40 C 2.6060 -0.7848 1.8157 C.ar 1 UNL1 -0.0514 41 C 5.3426 -0.5704 1.2462 C.ar 1 UNL1 -0.2661 42 C 3.4182 -1.9002 1.9732 C.ar 1 UNL1 -0.3297 43 C 4.7786 -1.7781 1.6750 C.ar 1 UNL1 0.3124 44 H -2.1004 -0.9501 0.8140 H 1 UNL1 0.1715 45 H -4.3334 -2.6321 -0.5817 H 1 UNL1 0.1545 46 H -2.3570 0.6176 -1.1927 H 1 UNL1 0.1545 47 H -0.2136 -1.4255 0.2445 H 1 UNL1 0.1388 48 H -0.0875 -3.4764 -2.1516 H 1 UNL1 0.1616 49 H 2.2329 -2.6039 -0.2468 H 1 UNL1 0.1475 50 H -4.2938 -1.0479 2.1294 H 1 UNL1 0.1373 51 H 1.9535 -1.7400 -3.2282 H 1 UNL1 0.1726 52 H 1.4155 0.0660 -0.7188 H 1 UNL1 0.1465 53 H -4.8309 1.4449 -0.5501 H 1 UNL1 0.1684 54 H -5.8768 -3.0970 1.8781 H 1 UNL1 0.1735 55 H -6.6635 -2.2568 0.5240 H 1 UNL1 0.1641 56 H -6.7347 -1.5598 2.1452 H 1 UNL1 0.1587 57 H 0.6497 0.5466 -3.6934 H 1 UNL1 0.1367 58 H 2.2274 1.1153 -3.0021 H 1 UNL1 0.1619 59 H -2.5157 -3.5851 0.7501 H 1 UNL1 0.3458 60 H -3.3197 -1.1358 -2.5149 H 1 UNL1 0.3381 61 H 0.5612 -4.7818 -0.3064 H 1 UNL1 0.3404 62 H 3.2928 -3.6490 -2.1653 H 1 UNL1 0.3397 63 H 3.6159 -0.6961 -1.1810 H 1 UNL1 0.3284 64 H -0.3354 1.8204 -2.0156 H 1 UNL1 0.3250 65 H -3.3077 3.4640 -0.3808 H 1 UNL1 0.2045 66 H -2.2508 0.2438 2.7407 H 1 UNL1 0.3377 67 H -0.1784 5.0222 -1.1299 H 1 UNL1 0.3823 68 H 4.9486 1.4897 0.7868 H 1 UNL1 0.1845 69 H 1.5408 -0.8602 2.0602 H 1 UNL1 0.1778 70 H 3.6322 3.6830 -0.8140 H 1 UNL1 0.3543 71 H 6.4095 -0.5143 1.0409 H 1 UNL1 0.1830 72 H 3.0051 -2.8387 2.3304 H 1 UNL1 0.1722 73 H 5.2043 -3.6453 2.0879 H 1 UNL1 0.3325 @BOND 1 57 28 1 2 51 24 1 3 58 28 1 4 28 10 1 5 28 25 1 6 60 5 1 7 10 64 1 8 62 8 1 9 48 21 1 10 24 9 1 11 24 25 1 12 24 22 1 13 5 19 1 14 9 63 1 15 8 22 1 16 25 2 1 17 25 52 1 18 2 20 1 19 22 21 1 20 22 49 1 21 21 20 1 22 21 7 1 23 46 19 1 24 67 13 1 25 13 33 1 26 1 20 1 27 1 17 1 28 19 17 1 29 19 26 1 30 70 15 1 31 20 47 1 32 14 35 2 33 45 18 1 34 53 26 1 35 65 31 1 36 61 7 1 37 15 37 1 38 33 31 ar 39 33 34 ar 40 17 18 1 41 17 44 1 42 35 37 ar 43 35 34 ar 44 26 3 1 45 26 6 1 46 31 29 ar 47 18 4 1 48 18 23 1 49 37 36 ar 50 34 32 ar 51 3 23 1 52 55 27 1 53 59 4 1 54 68 39 1 55 29 6 1 56 29 30 ar 57 71 41 1 58 36 38 1 59 36 12 ar 60 39 41 ar 61 39 38 ar 62 32 30 ar 63 32 12 ar 64 23 27 1 65 23 50 1 66 41 43 ar 67 38 40 ar 68 27 54 1 69 27 56 1 70 30 11 1 71 43 16 1 72 43 42 ar 73 16 73 1 74 40 42 ar 75 40 69 1 76 42 72 1 77 11 66 1