@MOLECULE 5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4h-chromen-3-yl 2-o-beta-d-xylopyranosyl-beta-d-glucopyranoside 69 73 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O 2.5198 -0.4811 -0.0568 O.3 1 UNL1 -0.4214 2 O 0.4818 -2.1771 -0.5991 O.3 1 UNL1 -0.3884 3 O 4.6133 -0.5305 0.7769 O.3 1 UNL1 -0.3764 4 O -0.0533 -0.0866 0.0034 O.3 1 UNL1 -0.2784 5 O 1.8457 -1.2072 -3.5309 O.3 1 UNL1 -0.5687 6 O 2.9898 -3.5923 -2.8313 O.3 1 UNL1 -0.5379 7 O 4.3185 2.1949 1.4517 O.3 1 UNL1 -0.5534 8 O 2.3899 1.7557 3.3934 O.3 1 UNL1 -0.5586 9 O 4.7843 0.4794 3.5099 O.3 1 UNL1 -0.5672 10 O -0.4072 -4.7295 -0.4726 O.3 1 UNL1 -0.5504 11 O -3.2520 1.5751 -0.2058 O.2 1 UNL1 -0.2412 12 O -1.8931 -2.1855 0.7032 O.2 1 UNL1 -0.5090 13 O -4.3315 -2.8325 1.4178 O.3 1 UNL1 -0.4486 14 O -7.5994 0.5562 1.0271 O.3 1 UNL1 -0.4520 15 O 1.0330 5.5995 -2.1392 O.3 1 UNL1 -0.4666 16 C 1.8974 -0.3281 -1.3058 C.3 1 UNL1 0.0082 17 C 2.5848 -1.2634 -2.3239 C.3 1 UNL1 0.0467 18 C 2.4825 -2.7286 -1.8496 C.3 1 UNL1 0.0867 19 C 1.0195 -3.1002 -1.5349 C.3 1 UNL1 0.0044 20 C 0.4522 -0.8532 -1.0817 C.3 1 UNL1 0.2799 21 C 3.6679 0.3150 0.1956 C.3 1 UNL1 0.2753 22 C 3.1772 1.4041 1.1774 C.3 1 UNL1 0.0295 23 C 2.6497 0.7333 2.4593 C.3 1 UNL1 0.0535 24 C 3.6914 -0.2594 3.0158 C.3 1 UNL1 0.0607 25 C 0.9358 -4.4358 -0.7754 C.3 1 UNL1 -0.0090 26 C 4.1516 -1.2310 1.9237 C.3 1 UNL1 -0.0896 27 C -1.4165 0.0428 -0.0006 C.ar 1 UNL1 -0.0893 28 C -1.9243 1.2601 -0.3147 C.ar 1 UNL1 0.2262 29 C -2.2738 -1.0527 0.4595 C.ar 1 UNL1 0.5230 30 C -3.6692 -0.6707 0.6095 C.ar 1 UNL1 -0.4899 31 C -4.1024 0.6211 0.2800 C.ar 1 UNL1 0.3662 32 C -1.1838 2.4159 -0.8001 C.ar 1 UNL1 -0.1442 33 C -4.6430 -1.5800 1.0938 C.ar 1 UNL1 0.4820 34 C -5.4174 1.0442 0.4126 C.ar 1 UNL1 -0.4225 35 C -0.0234 2.8193 -0.1234 C.ar 1 UNL1 -0.0272 36 C -1.6297 3.1073 -1.9300 C.ar 1 UNL1 -0.0235 37 C -5.9809 -1.2008 1.2516 C.ar 1 UNL1 -0.4902 38 C -6.3353 0.1046 0.9077 C.ar 1 UNL1 0.4339 39 C 0.7143 3.8954 -0.5904 C.ar 1 UNL1 -0.2663 40 C -0.9046 4.1911 -2.4130 C.ar 1 UNL1 -0.3351 41 C 0.2597 4.5646 -1.7353 C.ar 1 UNL1 0.3234 42 H 1.8898 0.7288 -1.6355 H 1 UNL1 0.1366 43 H 3.6415 -0.9821 -2.5081 H 1 UNL1 0.1387 44 H 3.1510 -2.8972 -0.9717 H 1 UNL1 0.1718 45 H 0.3896 -3.1116 -2.4498 H 1 UNL1 0.1455 46 H -0.1732 -0.7751 -1.9937 H 1 UNL1 0.1318 47 H 4.1730 0.7048 -0.7071 H 1 UNL1 0.1428 48 H 2.4067 2.0524 0.7095 H 1 UNL1 0.1392 49 H 1.6596 0.2493 2.2781 H 1 UNL1 0.1778 50 H 3.3141 -0.7934 3.9165 H 1 UNL1 0.1573 51 H 1.5150 -4.4050 0.1657 H 1 UNL1 0.1281 52 H 1.2714 -5.2804 -1.4055 H 1 UNL1 0.1529 53 H 5.0596 -1.7864 2.2299 H 1 UNL1 0.1622 54 H 3.3546 -1.9400 1.6339 H 1 UNL1 0.1538 55 H 2.1449 -0.4672 -4.0933 H 1 UNL1 0.3259 56 H 2.5649 -3.4079 -3.7001 H 1 UNL1 0.3299 57 H 4.0747 2.8928 2.1035 H 1 UNL1 0.3336 58 H 3.1397 1.8331 4.0301 H 1 UNL1 0.3379 59 H 5.2056 0.9764 2.7615 H 1 UNL1 0.3505 60 H -0.8110 -3.9546 -0.0084 H 1 UNL1 0.3458 61 H -5.7309 2.0508 0.1566 H 1 UNL1 0.2031 62 H 0.2881 2.2807 0.7790 H 1 UNL1 0.1803 63 H -2.5459 2.7941 -2.4350 H 1 UNL1 0.1627 64 H -6.7014 -1.9167 1.6288 H 1 UNL1 0.1938 65 H 1.6157 4.2395 -0.0873 H 1 UNL1 0.1844 66 H -1.2394 4.7342 -3.2893 H 1 UNL1 0.1639 67 H -3.3382 -3.0190 1.2345 H 1 UNL1 0.3858 68 H -8.2177 -0.1312 1.3881 H 1 UNL1 0.3375 69 H 0.6631 6.0692 -2.9265 H 1 UNL1 0.3321 @BOND 1 55 5 1 2 56 6 1 3 5 17 1 4 66 40 1 5 69 15 1 6 6 18 1 7 43 17 1 8 45 19 1 9 63 36 1 10 40 36 ar 11 40 41 ar 12 17 18 1 13 17 16 1 14 15 41 1 15 46 20 1 16 36 32 ar 17 18 19 1 18 18 44 1 19 41 39 ar 20 42 16 1 21 19 25 1 22 19 2 1 23 52 25 1 24 16 20 1 25 16 1 1 26 20 2 1 27 20 4 1 28 32 28 1 29 32 35 ar 30 25 10 1 31 25 51 1 32 47 21 1 33 39 35 ar 34 39 65 1 35 10 60 1 36 28 11 ar 37 28 27 ar 38 11 31 ar 39 35 62 1 40 1 21 1 41 27 4 1 42 27 29 ar 43 61 34 1 44 21 3 1 45 21 22 1 46 31 34 ar 47 31 30 ar 48 34 38 ar 49 29 30 ar 50 29 12 2 51 30 33 ar 52 48 22 1 53 3 26 1 54 38 14 1 55 38 37 ar 56 14 68 1 57 33 37 ar 58 33 13 1 59 22 7 1 60 22 23 1 61 67 13 1 62 37 64 1 63 7 57 1 64 54 26 1 65 26 53 1 66 26 24 1 67 49 23 1 68 23 24 1 69 23 8 1 70 59 9 1 71 24 9 1 72 24 50 1 73 8 58 1