@MOLECULE (1r)-1,5-anhydro-2,6-dideoxy-1-[2-(3,4-dihydroxyphenyl)-7-(beta-d-glucopyranosyloxy)-5-hydroxy-4-oxo-4h-chromen-6-yl]-d-xylo-hexitol 71 75 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O -3.4436 0.8956 1.1566 O.3 1 UNL1 -0.4481 2 O -0.5577 -2.6316 0.0324 O.3 1 UNL1 -0.4449 3 O -1.6408 -0.8874 1.1178 O.3 1 UNL1 -0.3848 4 O -4.6007 3.4374 -1.0135 O.3 1 UNL1 -0.5588 5 O -5.9673 0.1874 -0.4566 O.3 1 UNL1 -0.5806 6 O -4.2956 -1.6012 0.6446 O.3 1 UNL1 -0.6184 7 O -2.2635 -4.4000 1.3715 O.3 1 UNL1 -0.5074 8 O -3.3676 -2.7702 -2.2157 O.3 1 UNL1 -0.5498 9 O 0.8129 -2.2819 -2.2963 O.3 1 UNL1 -0.5283 10 O -0.7517 3.4570 -0.3495 O.3 1 UNL1 -0.4507 11 O 2.8565 0.3998 0.4715 O.2 1 UNL1 -0.2670 12 O 1.7711 4.1594 -0.6798 O.2 1 UNL1 -0.5325 13 O 6.7808 -2.4918 -0.5267 O.3 1 UNL1 -0.4147 14 O 8.8141 -1.1164 0.3748 O.3 1 UNL1 -0.4114 15 C -2.6517 1.7029 0.2847 C.3 1 UNL1 0.1784 16 C -3.1985 1.5671 -1.1430 C.3 1 UNL1 -0.3469 17 C -4.6544 2.0304 -1.1848 C.3 1 UNL1 0.1129 18 C -5.5187 1.4476 -0.0374 C.3 1 UNL1 0.0527 19 C -4.7584 1.4436 1.3057 C.3 1 UNL1 0.0890 20 C -3.4880 -2.6529 0.1925 C.3 1 UNL1 0.0756 21 C -2.5435 -3.0287 1.3484 C.3 1 UNL1 0.0372 22 C -2.7458 -2.1997 -1.0818 C.3 1 UNL1 0.0343 23 C -1.2209 -2.2556 1.1897 C.3 1 UNL1 0.2621 24 C -1.2914 -2.6857 -1.1869 C.3 1 UNL1 0.0506 25 C -1.2165 1.2866 0.3799 C.ar 1 UNL1 -0.3333 26 C -0.7190 0.0375 0.7787 C.ar 1 UNL1 0.4193 27 C -5.4218 0.5733 2.3620 C.3 1 UNL1 -0.4752 28 C -0.5062 -1.8047 -2.1760 C.3 1 UNL1 -0.0273 29 C -0.2725 2.2723 0.0274 C.ar 1 UNL1 0.4461 30 C 0.6575 -0.2435 0.8220 C.ar 1 UNL1 -0.4598 31 C 1.1173 2.0260 0.0387 C.ar 1 UNL1 -0.4776 32 C 1.5395 0.7563 0.4404 C.ar 1 UNL1 0.3735 33 C 2.0984 3.0291 -0.3462 C.ar 1 UNL1 0.5545 34 C 3.7926 1.3283 0.0830 C.ar 1 UNL1 0.3108 35 C 3.4836 2.5788 -0.3081 C.ar 1 UNL1 -0.4282 36 C 5.1142 0.7096 0.1653 C.ar 1 UNL1 -0.0846 37 C 5.2712 -0.6281 -0.2325 C.ar 1 UNL1 -0.2091 38 C 6.1979 1.4445 0.6370 C.ar 1 UNL1 -0.0937 39 C 6.5250 -1.2135 -0.1561 C.ar 1 UNL1 0.1816 40 C 7.4626 0.8563 0.7186 C.ar 1 UNL1 -0.2722 41 C 7.6294 -0.4666 0.3261 C.ar 1 UNL1 0.2265 42 H -2.7565 2.7703 0.6306 H 1 UNL1 0.1636 43 H -3.1220 0.5240 -1.5002 H 1 UNL1 0.1469 44 H -2.5893 2.1911 -1.8317 H 1 UNL1 0.1812 45 H -5.1216 1.7911 -2.1663 H 1 UNL1 0.1296 46 H -6.4646 2.0296 0.0689 H 1 UNL1 0.1426 47 H -4.6431 2.4951 1.6659 H 1 UNL1 0.1384 48 H -4.2090 -3.4780 -0.0217 H 1 UNL1 0.1764 49 H -3.0306 -2.8427 2.3359 H 1 UNL1 0.1855 50 H -2.8021 -1.0824 -1.1680 H 1 UNL1 0.1506 51 H -0.4769 -2.4093 1.9984 H 1 UNL1 0.1619 52 H -1.2397 -3.7590 -1.4875 H 1 UNL1 0.1636 53 H -5.7896 -0.3823 1.9572 H 1 UNL1 0.1774 54 H -6.2832 1.0811 2.8096 H 1 UNL1 0.1546 55 H -4.7145 0.3308 3.1679 H 1 UNL1 0.1663 56 H -0.4896 -0.7440 -1.8679 H 1 UNL1 0.1290 57 H -0.9186 -1.8991 -3.2006 H 1 UNL1 0.1619 58 H 1.0419 -1.2079 1.1374 H 1 UNL1 0.1992 59 H -5.4258 3.8576 -1.3181 H 1 UNL1 0.3140 60 H -5.3663 -0.5311 -0.1553 H 1 UNL1 0.3521 61 H -3.7640 -0.7804 0.8810 H 1 UNL1 0.3815 62 H -1.7472 -4.6660 0.5746 H 1 UNL1 0.3238 63 H -4.2971 -2.4599 -2.2851 H 1 UNL1 0.3337 64 H 1.2863 -2.1579 -1.4448 H 1 UNL1 0.3189 65 H 0.0186 4.1069 -0.5678 H 1 UNL1 0.3912 66 H 4.2392 3.2957 -0.6241 H 1 UNL1 0.2037 67 H 4.4153 -1.1929 -0.6000 H 1 UNL1 0.1767 68 H 6.0661 2.4812 0.9508 H 1 UNL1 0.1666 69 H 8.3063 1.4331 1.0887 H 1 UNL1 0.1673 70 H 5.9546 -2.9490 -0.8341 H 1 UNL1 0.3218 71 H 9.5386 -0.5297 0.7161 H 1 UNL1 0.3203 @BOND 1 57 28 1 2 9 28 1 3 9 64 1 4 63 8 1 5 8 22 1 6 28 56 1 7 28 24 1 8 45 17 1 9 44 16 1 10 43 16 1 11 52 24 1 12 59 4 1 13 24 22 1 14 24 2 1 15 17 16 1 16 17 4 1 17 17 18 1 18 50 22 1 19 16 15 1 20 22 20 1 21 70 13 1 22 12 33 2 23 66 35 1 24 67 37 1 25 65 10 1 26 13 39 1 27 5 60 1 28 5 18 1 29 10 29 1 30 33 35 ar 31 33 31 ar 32 35 34 ar 33 37 39 ar 34 37 36 ar 35 39 41 ar 36 18 46 1 37 18 19 1 38 48 20 1 39 29 31 ar 40 29 25 ar 41 2 23 1 42 31 32 ar 43 34 36 1 44 34 11 ar 45 36 38 ar 46 20 6 1 47 20 21 1 48 15 25 1 49 15 42 1 50 15 1 1 51 41 14 1 52 41 40 ar 53 14 71 1 54 25 26 ar 55 32 11 ar 56 32 30 ar 57 62 7 1 58 38 40 ar 59 38 68 1 60 6 61 1 61 40 69 1 62 26 30 ar 63 26 3 1 64 30 58 1 65 3 23 1 66 1 19 1 67 23 21 1 68 23 51 1 69 19 47 1 70 19 27 1 71 21 7 1 72 21 49 1 73 53 27 1 74 27 54 1 75 27 55 1