@MOLECULE 5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-4-oxo-4h-chromen-3-yl 6-o-acetyl-beta-d-glucopyranoside 60 63 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O -1.3342 -0.9727 0.3036 O.3 1 UNL1 -0.4309 2 O -1.4274 -0.0960 -1.8110 O.3 1 UNL1 -0.3402 3 O -3.7581 -2.6619 2.3137 O.3 1 UNL1 -0.5578 4 O -4.1705 -3.7473 -0.3967 O.3 1 UNL1 -0.5636 5 O -3.8700 -1.5055 -2.2291 O.3 1 UNL1 -0.5591 6 O -0.2269 -0.5543 2.8006 O.3 1 UNL1 -0.4246 7 O 1.4665 1.7221 -0.5599 O.2 1 UNL1 -0.2597 8 O 0.5822 -1.9647 -2.1237 O.2 1 UNL1 -0.5118 9 O 1.7999 -1.4099 2.3118 O.2 1 UNL1 -0.5044 10 O 3.0978 -2.6708 -1.6772 O.3 1 UNL1 -0.4561 11 O 5.8584 0.6592 0.3137 O.3 1 UNL1 -0.3046 12 O -3.3573 5.4969 0.3535 O.3 1 UNL1 -0.4667 13 C -2.9008 -2.6087 1.1921 C.3 1 UNL1 0.0715 14 C -3.7506 -2.4350 -0.0849 C.3 1 UNL1 0.0689 15 C -2.0018 -1.3824 1.4821 C.3 1 UNL1 0.0721 16 C -2.9236 -1.8565 -1.2436 C.3 1 UNL1 0.0299 17 C -2.2136 -0.5897 -0.7323 C.3 1 UNL1 0.2551 18 C -0.8615 -1.7751 2.4294 C.3 1 UNL1 -0.0428 19 C -0.1417 0.1874 -1.4386 C.ar 1 UNL1 -0.0403 20 C 0.1793 1.3876 -0.9002 C.ar 1 UNL1 0.2250 21 C 0.8475 -0.8785 -1.6341 C.ar 1 UNL1 0.5304 22 C 2.1752 -0.5177 -1.1742 C.ar 1 UNL1 -0.4842 23 C 2.4315 0.7557 -0.6485 C.ar 1 UNL1 0.3668 24 C 1.1203 -0.4711 2.6328 C.2 1 UNL1 0.6321 25 C -0.7169 2.4859 -0.5719 C.ar 1 UNL1 -0.1365 26 C 3.2493 -1.4393 -1.1907 C.ar 1 UNL1 0.4851 27 C 3.6703 1.1466 -0.1646 C.ar 1 UNL1 -0.4361 28 C 1.5714 0.9169 2.9321 C.3 1 UNL1 -0.5151 29 C -0.4867 3.2475 0.5793 C.ar 1 UNL1 -0.0213 30 C -1.8181 2.7604 -1.3971 C.ar 1 UNL1 -0.0352 31 C 4.5177 -1.0981 -0.7066 C.ar 1 UNL1 -0.4683 32 C 4.7023 0.1859 -0.1961 C.ar 1 UNL1 0.3983 33 C -1.3578 4.2745 0.9251 C.ar 1 UNL1 -0.3306 34 C -2.6992 3.7783 -1.0685 C.ar 1 UNL1 -0.2639 35 C -2.4544 4.5213 0.0944 C.ar 1 UNL1 0.3205 36 C 6.9601 -0.2384 0.3875 C.3 1 UNL1 -0.2016 37 H -2.3187 -3.5563 1.1393 H 1 UNL1 0.1551 38 H -4.6609 -1.8201 0.1073 H 1 UNL1 0.1518 39 H -2.5941 -0.5296 1.8850 H 1 UNL1 0.1554 40 H -2.1957 -2.5897 -1.6621 H 1 UNL1 0.1759 41 H -2.8807 0.2357 -0.4151 H 1 UNL1 0.1354 42 H -0.1499 -2.4779 1.9515 H 1 UNL1 0.1703 43 H -1.2524 -2.2054 3.3712 H 1 UNL1 0.1561 44 H -4.4096 -3.3887 2.2028 H 1 UNL1 0.3374 45 H -4.5991 -3.7586 -1.2813 H 1 UNL1 0.3392 46 H -3.4045 -1.1708 -3.0287 H 1 UNL1 0.3386 47 H 3.8524 2.1434 0.2188 H 1 UNL1 0.1956 48 H 2.2663 0.9217 3.7863 H 1 UNL1 0.1838 49 H 2.1215 1.3311 2.0679 H 1 UNL1 0.1928 50 H 0.7386 1.5947 3.1684 H 1 UNL1 0.1800 51 H 0.3767 3.0331 1.2121 H 1 UNL1 0.1614 52 H -1.9784 2.1672 -2.3030 H 1 UNL1 0.1770 53 H 5.3061 -1.8405 -0.7291 H 1 UNL1 0.1939 54 H -1.1886 4.8665 1.8172 H 1 UNL1 0.1635 55 H -3.5627 4.0110 -1.6876 H 1 UNL1 0.1818 56 H 2.1266 -2.8214 -1.9740 H 1 UNL1 0.3860 57 H 6.7218 -1.0948 1.0287 H 1 UNL1 0.1444 58 H 7.7368 0.3850 0.8484 H 1 UNL1 0.1524 59 H 7.2677 -0.5606 -0.6138 H 1 UNL1 0.1411 60 H -3.1462 6.0020 1.1764 H 1 UNL1 0.3306 @BOND 1 46 5 1 2 52 30 1 3 5 16 1 4 8 21 2 5 56 10 1 6 2 19 1 7 2 17 1 8 55 34 1 9 10 26 1 10 40 16 1 11 21 19 ar 12 21 22 ar 13 19 20 ar 14 30 34 ar 15 30 25 ar 16 45 4 1 17 16 17 1 18 16 14 1 19 26 22 ar 20 26 31 ar 21 22 23 ar 22 34 35 ar 23 20 25 1 24 20 7 ar 25 17 41 1 26 17 1 1 27 53 31 1 28 31 32 ar 29 23 7 ar 30 23 27 ar 31 59 36 1 32 25 29 ar 33 4 14 1 34 32 27 ar 35 32 11 1 36 27 47 1 37 14 38 1 38 14 13 1 39 35 12 1 40 35 33 ar 41 1 15 1 42 11 36 1 43 12 60 1 44 36 58 1 45 36 57 1 46 29 33 ar 47 29 51 1 48 33 54 1 49 37 13 1 50 13 15 1 51 13 3 1 52 15 39 1 53 15 18 1 54 42 18 1 55 49 28 1 56 44 3 1 57 9 24 2 58 18 6 1 59 18 43 1 60 24 6 1 61 24 28 1 62 28 50 1 63 28 48 1