@MOLECULE 3-{[(2r,3r,4r,5r,6r)-6-{[(2r,3s,4r,5s,6s)-3,5-dihydroxy-2-(hydroxymethyl)-6-methyltetrahydro-2h-pyran-4-yl]oxy}-3,4,5-trihydroxytetrahydro-2h-pyran-2-yl]oxy}-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4h-chromen-4-one 73 77 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O -2.2492 1.7930 0.6547 O.3 1 UNL1 -0.4482 2 O 1.0414 2.1391 3.0230 O.3 1 UNL1 -0.4308 3 O -2.2592 -0.2545 -0.4125 O.3 1 UNL1 -0.4549 4 O 0.5186 1.4767 0.2884 O.3 1 UNL1 -0.5412 5 O -2.3128 3.4309 2.9494 O.3 1 UNL1 -0.5515 6 O -5.3071 0.7818 -0.2468 O.3 1 UNL1 -0.5585 7 O -3.7544 2.5529 -2.6549 O.3 1 UNL1 -0.5634 8 O -0.9094 -0.8709 -2.1123 O.3 1 UNL1 -0.2970 9 O -2.3230 0.8149 -3.8824 O.3 1 UNL1 -0.5595 10 O 2.8659 -0.2095 3.3628 O.3 1 UNL1 -0.5458 11 O 2.2187 -1.7918 -0.5350 O.2 1 UNL1 -0.2327 12 O 0.7812 1.1379 -3.0166 O.2 1 UNL1 -0.5585 13 O 3.2032 2.2479 -2.9840 O.3 1 UNL1 -0.4494 14 O 6.5001 0.1821 -0.4409 O.3 1 UNL1 -0.4494 15 O -0.5915 -3.9736 3.0977 O.3 1 UNL1 -0.4436 16 O -2.1947 -5.6286 1.6464 O.3 1 UNL1 -0.4892 17 C -1.4233 1.5268 1.7695 C.3 1 UNL1 0.0113 18 C -0.1138 0.8262 1.3587 C.3 1 UNL1 0.0609 19 C -1.1373 2.9258 2.3508 C.3 1 UNL1 0.0709 20 C 0.8211 0.8060 2.5852 C.3 1 UNL1 -0.0102 21 C -0.1192 2.8011 3.5081 C.3 1 UNL1 0.1089 22 C -3.0447 0.7068 0.2254 C.3 1 UNL1 0.3058 23 C -4.1018 1.3916 -0.6710 C.3 1 UNL1 0.0469 24 C -3.9568 1.2313 -2.1992 C.3 1 UNL1 0.0802 25 C -2.8253 0.2914 -2.6697 C.3 1 UNL1 0.0332 26 C -1.7002 0.2079 -1.6323 C.3 1 UNL1 0.2488 27 C 2.2328 0.3257 2.2219 C.3 1 UNL1 -0.0095 28 C 0.3851 4.1623 3.9611 C.3 1 UNL1 -0.4635 29 C 0.3945 -0.7913 -1.7111 C.ar 1 UNL1 -0.0648 30 C 0.8950 -1.7388 -0.8874 C.ar 1 UNL1 0.2116 31 C 1.2238 0.2881 -2.2542 C.ar 1 UNL1 0.5374 32 C 2.6004 0.2427 -1.8130 C.ar 1 UNL1 -0.4697 33 C 0.1364 -2.8060 -0.2480 C.ar 1 UNL1 -0.0526 34 C 3.0385 -0.7843 -0.9644 C.ar 1 UNL1 0.3769 35 C 3.5414 1.2391 -2.1817 C.ar 1 UNL1 0.4682 36 C 4.3383 -0.8610 -0.4778 C.ar 1 UNL1 -0.4813 37 C 0.1888 -2.9469 1.1435 C.ar 1 UNL1 -0.1687 38 C -0.6863 -3.6183 -1.0300 C.ar 1 UNL1 -0.0856 39 C 4.8554 1.2079 -1.7118 C.ar 1 UNL1 -0.4334 40 C 5.2229 0.1566 -0.8690 C.ar 1 UNL1 0.4351 41 C -0.6262 -3.8978 1.7446 C.ar 1 UNL1 0.1939 42 C -1.4795 -4.5966 -0.4292 C.ar 1 UNL1 -0.2469 43 C -1.4499 -4.7253 0.9529 C.ar 1 UNL1 0.1672 44 H -1.9808 0.9040 2.5068 H 1 UNL1 0.1424 45 H -0.3132 -0.1930 0.9491 H 1 UNL1 0.1757 46 H -0.8063 3.6371 1.5647 H 1 UNL1 0.1444 47 H 0.3960 0.2002 3.4152 H 1 UNL1 0.1474 48 H -0.5540 2.2215 4.3521 H 1 UNL1 0.1343 49 H -3.4904 0.1348 1.0731 H 1 UNL1 0.1610 50 H -4.1413 2.4880 -0.4308 H 1 UNL1 0.1709 51 H -4.9268 0.8965 -2.6424 H 1 UNL1 0.1452 52 H -3.2202 -0.7218 -2.9184 H 1 UNL1 0.1646 53 H -1.1199 1.1434 -1.4682 H 1 UNL1 0.1792 54 H 2.8469 1.1471 1.8070 H 1 UNL1 0.1404 55 H 2.2191 -0.5232 1.5140 H 1 UNL1 0.1544 56 H 1.0364 4.0758 4.8392 H 1 UNL1 0.1570 57 H -0.4603 4.8146 4.2249 H 1 UNL1 0.1723 58 H 0.9657 4.6625 3.1758 H 1 UNL1 0.1596 59 H 0.8195 2.3733 0.5607 H 1 UNL1 0.3307 60 H -3.0465 3.3988 2.2954 H 1 UNL1 0.3326 61 H -6.0824 1.2644 -0.5988 H 1 UNL1 0.3277 62 H -3.1711 2.5481 -3.4542 H 1 UNL1 0.3510 63 H -1.3392 0.9355 -3.8299 H 1 UNL1 0.3576 64 H 2.9351 0.4735 4.0615 H 1 UNL1 0.3204 65 H 4.6424 -1.6664 0.1795 H 1 UNL1 0.1943 66 H 0.8457 -2.3286 1.7577 H 1 UNL1 0.1894 67 H -0.7218 -3.4788 -2.1124 H 1 UNL1 0.1735 68 H 5.5681 1.9786 -1.9921 H 1 UNL1 0.2067 69 H -2.1168 -5.2336 -1.0360 H 1 UNL1 0.1651 70 H 2.2196 2.1764 -3.2602 H 1 UNL1 0.3851 71 H 6.7110 -0.5635 0.1793 H 1 UNL1 0.3371 72 H -1.1742 -4.7015 3.4307 H 1 UNL1 0.3400 73 H -2.7088 -6.2221 1.0462 H 1 UNL1 0.3425 @BOND 1 9 63 1 2 9 25 1 3 62 7 1 4 70 13 1 5 12 31 2 6 13 35 1 7 52 25 1 8 25 24 1 9 25 26 1 10 7 24 1 11 51 24 1 12 31 32 ar 13 31 29 ar 14 24 23 1 15 35 32 ar 16 35 39 ar 17 67 38 1 18 8 29 1 19 8 26 1 20 68 39 1 21 32 34 ar 22 39 40 ar 23 29 30 ar 24 26 53 1 25 26 3 1 26 69 42 1 27 38 42 ar 28 38 33 ar 29 34 11 ar 30 34 36 ar 31 30 11 ar 32 30 33 1 33 40 36 ar 34 40 14 1 35 23 50 1 36 23 6 1 37 23 22 1 38 61 6 1 39 36 65 1 40 14 71 1 41 42 43 ar 42 3 22 1 43 33 37 ar 44 22 1 1 45 22 49 1 46 4 59 1 47 4 18 1 48 1 17 1 49 45 18 1 50 43 16 1 51 43 41 ar 52 73 16 1 53 37 41 ar 54 37 66 1 55 18 17 1 56 18 20 1 57 55 27 1 58 46 19 1 59 41 15 1 60 17 19 1 61 17 44 1 62 54 27 1 63 27 20 1 64 27 10 1 65 60 5 1 66 19 5 1 67 19 21 1 68 20 2 1 69 20 47 1 70 2 21 1 71 15 72 1 72 58 28 1 73 10 64 1 74 21 28 1 75 21 48 1 76 28 57 1 77 28 56 1