@MOLECULE 8-hydroxy-7-methoxy-2-(4-methoxyphenyl)-4-oxo-4h-chromen-6-yl 6-o-(6-deoxy-beta-d-allopyranosyl)-beta-d-allopyranoside 78 82 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O 3.3220 -0.6901 0.4587 O.3 1 UNL1 -0.4007 2 O 3.0930 1.7311 -0.8910 O.3 1 UNL1 -0.4255 3 O 3.8419 3.6318 0.2036 O.3 1 UNL1 -0.4630 4 O 6.1933 -0.7443 0.2181 O.3 1 UNL1 -0.5419 5 O 4.6560 -3.3592 -1.7172 O.3 1 UNL1 -0.5405 6 O 2.0076 -2.3581 -0.4530 O.3 1 UNL1 -0.3790 7 O 4.6984 -3.0720 1.7449 O.3 1 UNL1 -0.5557 8 O 1.2788 3.2570 -2.2993 O.3 1 UNL1 -0.5578 9 O -0.2766 3.8584 0.1438 O.3 1 UNL1 -0.5231 10 O 1.1299 2.9755 2.5425 O.3 1 UNL1 -0.5304 11 O 0.2779 -3.9175 1.0491 O.3 1 UNL1 -0.3021 12 O -3.2825 -0.9902 0.0633 O.2 1 UNL1 -0.2773 13 O -2.3530 -3.3276 1.1196 O.3 1 UNL1 -0.4086 14 O -0.8479 1.6658 -1.8485 O.2 1 UNL1 -0.4940 15 O -9.2175 0.3907 0.6195 O.3 1 UNL1 -0.3077 16 C 4.0093 -0.4379 -0.7636 C.3 1 UNL1 0.0502 17 C 5.3259 -1.2368 -0.7764 C.3 1 UNL1 0.0485 18 C 5.1076 -2.7420 -0.5286 C.3 1 UNL1 0.0730 19 C 4.0135 -3.0597 0.5055 C.3 1 UNL1 0.0538 20 C 1.8097 3.6928 -1.0849 C.3 1 UNL1 0.0505 21 C 3.2424 3.1269 -0.9588 C.3 1 UNL1 0.2747 22 C 0.9946 3.2614 0.1425 C.3 1 UNL1 0.0446 23 C 1.7239 3.6381 1.4505 C.3 1 UNL1 0.0457 24 C 2.8915 -2.0033 0.6097 C.3 1 UNL1 0.2670 25 C 4.3371 1.0569 -0.7344 C.3 1 UNL1 -0.0531 26 C 3.2205 3.2428 1.4237 C.3 1 UNL1 0.0990 27 C 4.0156 3.9832 2.4904 C.3 1 UNL1 -0.4627 28 C 0.7220 -1.9313 -0.2536 C.ar 1 UNL1 0.1353 29 C -0.1695 -2.8020 0.4037 C.ar 1 UNL1 0.1036 30 C 0.3055 -0.7194 -0.7862 C.ar 1 UNL1 -0.1309 31 C -1.0468 -0.3796 -0.6989 C.ar 1 UNL1 -0.1951 32 C -1.5207 -2.4572 0.4984 C.ar 1 UNL1 0.1427 33 C -1.9401 -1.2379 -0.0646 C.ar 1 UNL1 0.1045 34 C -1.5667 0.8735 -1.2847 C.ar 1 UNL1 0.5420 35 C -3.7691 0.1599 -0.5005 C.ar 1 UNL1 0.3218 36 C -3.0059 1.0613 -1.1427 C.ar 1 UNL1 -0.4258 37 C 0.5886 -4.9843 0.1503 C.3 1 UNL1 -0.2024 38 C -5.2097 0.2019 -0.2622 C.ar 1 UNL1 -0.1743 39 C -5.7568 1.2765 0.4543 C.ar 1 UNL1 -0.0319 40 C -6.0197 -0.8396 -0.7168 C.ar 1 UNL1 -0.0278 41 C -7.1134 1.3070 0.7222 C.ar 1 UNL1 -0.2648 42 C -7.3882 -0.8217 -0.4616 C.ar 1 UNL1 -0.3188 43 C -7.9184 0.2460 0.2654 C.ar 1 UNL1 0.2844 44 C -10.1353 -0.5993 0.1731 C.3 1 UNL1 -0.2045 45 H 3.3453 -0.7110 -1.6146 H 1 UNL1 0.1686 46 H 5.8915 -1.0651 -1.7199 H 1 UNL1 0.1505 47 H 6.0704 -3.2094 -0.2005 H 1 UNL1 0.1535 48 H 3.5798 -4.0673 0.2959 H 1 UNL1 0.1590 49 H 1.8536 4.8027 -1.1864 H 1 UNL1 0.1451 50 H 3.9299 3.4336 -1.7715 H 1 UNL1 0.1413 51 H 0.7507 2.1711 0.1076 H 1 UNL1 0.1721 52 H 1.5718 4.7099 1.7025 H 1 UNL1 0.1562 53 H 2.3827 -1.9911 1.5988 H 1 UNL1 0.1520 54 H 5.0172 1.3326 -1.5603 H 1 UNL1 0.1316 55 H 4.8000 1.3498 0.2284 H 1 UNL1 0.1556 56 H 3.3197 2.1370 1.5316 H 1 UNL1 0.1404 57 H 4.0357 5.0635 2.2999 H 1 UNL1 0.1572 58 H 5.0578 3.6425 2.5147 H 1 UNL1 0.1551 59 H 3.5761 3.8202 3.4831 H 1 UNL1 0.1636 60 H 5.8120 -0.9376 1.1100 H 1 UNL1 0.3399 61 H 5.3927 -3.4692 -2.3514 H 1 UNL1 0.3189 62 H 4.1426 -3.4718 2.4449 H 1 UNL1 0.3269 63 H 0.5757 2.5808 -2.1770 H 1 UNL1 0.3671 64 H -0.2393 4.7926 -0.1412 H 1 UNL1 0.3096 65 H 1.0575 2.0137 2.3661 H 1 UNL1 0.3141 66 H 1.0220 -0.0444 -1.2693 H 1 UNL1 0.2074 67 H -3.4198 1.9698 -1.5781 H 1 UNL1 0.2050 68 H -3.2646 -2.9396 1.2116 H 1 UNL1 0.3292 69 H 1.0161 -5.7403 0.8184 H 1 UNL1 0.1445 70 H 1.3142 -4.6714 -0.6088 H 1 UNL1 0.1469 71 H -0.3304 -5.3550 -0.3150 H 1 UNL1 0.1359 72 H -5.1074 2.0845 0.8025 H 1 UNL1 0.1708 73 H -5.5813 -1.6686 -1.2754 H 1 UNL1 0.1594 74 H -7.5672 2.1265 1.2755 H 1 UNL1 0.1797 75 H -8.0171 -1.6275 -0.8225 H 1 UNL1 0.1681 76 H -11.0859 -0.2347 0.5885 H 1 UNL1 0.1583 77 H -9.8873 -1.5801 0.5909 H 1 UNL1 0.1373 78 H -10.1809 -0.6263 -0.9199 H 1 UNL1 0.1376 @BOND 1 61 5 1 2 8 63 1 3 8 20 1 4 14 34 2 5 50 21 1 6 46 17 1 7 5 18 1 8 45 16 1 9 67 36 1 10 54 25 1 11 34 36 ar 12 34 31 ar 13 73 40 1 14 66 30 1 15 49 20 1 16 36 35 ar 17 20 21 1 18 20 22 1 19 21 2 1 20 21 3 1 21 78 44 1 22 2 25 1 23 75 42 1 24 30 31 ar 25 30 28 ar 26 17 16 1 27 17 18 1 28 17 4 1 29 16 25 1 30 16 1 1 31 25 55 1 32 40 42 ar 33 40 38 ar 34 31 33 ar 35 70 37 1 36 18 47 1 37 18 19 1 38 35 38 1 39 35 12 ar 40 42 43 ar 41 6 28 1 42 6 24 1 43 71 37 1 44 38 39 ar 45 28 29 ar 46 64 9 1 47 33 12 ar 48 33 32 ar 49 51 22 1 50 22 9 1 51 22 23 1 52 37 69 1 53 37 11 1 54 44 76 1 55 44 77 1 56 44 15 1 57 3 26 1 58 4 60 1 59 43 15 1 60 43 41 ar 61 48 19 1 62 29 32 ar 63 29 11 1 64 39 41 ar 65 39 72 1 66 1 24 1 67 32 13 1 68 19 24 1 69 19 7 1 70 24 53 1 71 41 74 1 72 13 68 1 73 26 23 1 74 26 56 1 75 26 27 1 76 23 52 1 77 23 10 1 78 7 62 1 79 57 27 1 80 65 10 1 81 27 58 1 82 27 59 1