@MOLECULE 3-[(6-deoxy-alpha-l-mannopyranosyl)oxy]-5-hydroxy-2-(4-hydroxyphenyl)-8-(3-methyl-2-buten-1-yl)-4-oxo-4h-chromen-7-yl beta-d-glucopyranoside 85 89 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O -5.0065 0.5043 0.7931 O.3 1 UNL1 -0.4660 2 O 4.3534 0.1355 -0.7299 O.3 1 UNL1 -0.4573 3 O -3.8677 -0.1422 -1.0242 O.3 1 UNL1 -0.3403 4 O 3.3939 1.9170 0.3047 O.3 1 UNL1 -0.2533 5 O -8.5687 -0.7747 -0.7484 O.3 1 UNL1 -0.5401 6 O -8.4727 1.1086 1.4912 O.3 1 UNL1 -0.5454 7 O -6.0102 -1.7332 -0.5467 O.3 1 UNL1 -0.5366 8 O 8.0699 1.8784 -0.5314 O.3 1 UNL1 -0.5166 9 O 6.9137 -0.5362 0.1764 O.3 1 UNL1 -0.5626 10 O 5.9015 1.7481 1.1776 O.3 1 UNL1 -0.5240 11 O -4.7850 1.9598 3.2053 O.3 1 UNL1 -0.5290 12 O 0.5766 -0.3852 0.3243 O.2 1 UNL1 -0.2372 13 O -1.1452 3.7062 -1.5525 O.3 1 UNL1 -0.4590 14 O 1.4263 3.4012 -0.9761 O.2 1 UNL1 -0.5113 15 O 5.3266 -3.5455 2.7369 O.3 1 UNL1 -0.4611 16 C -7.5144 0.1151 -0.4912 C.3 1 UNL1 0.0427 17 C -7.4005 0.3127 1.0373 C.3 1 UNL1 0.0430 18 C -6.1916 -0.4383 -1.0641 C.3 1 UNL1 0.0350 19 C -6.1370 1.1218 1.3946 C.3 1 UNL1 0.0466 20 C 6.8206 1.5171 -1.0448 C.3 1 UNL1 0.0524 21 C 6.7014 -0.0277 -1.1266 C.3 1 UNL1 0.0405 22 C -5.0527 0.5083 -0.6273 C.3 1 UNL1 0.2523 23 C 5.6924 2.1005 -0.1596 C.3 1 UNL1 0.0495 24 C 5.2969 -0.3822 -1.6576 C.3 1 UNL1 0.0806 25 C 4.3414 1.5604 -0.6842 C.3 1 UNL1 0.2229 26 C -5.8175 1.0549 2.8944 C.3 1 UNL1 -0.0164 27 C 5.0293 -1.8807 -1.6814 C.3 1 UNL1 -0.4688 28 C -2.6985 0.5450 -0.8311 C.ar 1 UNL1 0.3521 29 C -1.6505 -0.2239 -0.3040 C.ar 1 UNL1 -0.2110 30 C 2.1466 1.3974 0.0648 C.ar 1 UNL1 -0.1124 31 C -0.4028 0.4001 -0.2135 C.ar 1 UNL1 0.3247 32 C -0.1731 1.7159 -0.6283 C.ar 1 UNL1 -0.4528 33 C 1.1643 2.2885 -0.5486 C.ar 1 UNL1 0.5174 34 C -2.5449 1.8700 -1.2338 C.ar 1 UNL1 -0.4332 35 C 1.8366 0.1390 0.4679 C.ar 1 UNL1 0.2643 36 C -1.2724 2.4439 -1.1381 C.ar 1 UNL1 0.4455 37 C -1.8338 -1.6476 0.1102 C.3 1 UNL1 -0.2245 38 C 2.6987 -0.8490 1.0959 C.ar 1 UNL1 -0.1344 39 C -1.2839 -2.5485 -0.9519 C.2 1 UNL1 -0.2354 40 C 3.7548 -0.4227 1.9174 C.ar 1 UNL1 -0.0056 41 C 2.4920 -2.2132 0.8580 C.ar 1 UNL1 -0.0185 42 C -2.0189 -3.3548 -1.7285 C.2 1 UNL1 0.0668 43 C 4.6252 -1.3511 2.4692 C.ar 1 UNL1 -0.3043 44 C 3.3522 -3.1587 1.4042 C.ar 1 UNL1 -0.3461 45 C -1.3748 -4.2097 -2.7735 C.3 1 UNL1 -0.4567 46 C -3.5014 -3.4760 -1.6343 C.3 1 UNL1 -0.4669 47 C 4.4130 -2.7077 2.1961 C.ar 1 UNL1 0.3215 48 H -7.8376 1.0527 -0.9976 H 1 UNL1 0.1622 49 H -7.4370 -0.6632 1.5673 H 1 UNL1 0.1398 50 H -6.2324 -0.5903 -2.1649 H 1 UNL1 0.1734 51 H -6.2183 2.1784 1.0546 H 1 UNL1 0.1577 52 H 6.8241 1.9702 -2.0614 H 1 UNL1 0.1495 53 H 7.5215 -0.4606 -1.7385 H 1 UNL1 0.1535 54 H -5.1270 1.5421 -1.0168 H 1 UNL1 0.1373 55 H 5.7013 3.2141 -0.1346 H 1 UNL1 0.1734 56 H 5.1228 0.0705 -2.6598 H 1 UNL1 0.1309 57 H 4.0390 1.9606 -1.6726 H 1 UNL1 0.1275 58 H -5.5215 0.0390 3.2112 H 1 UNL1 0.1284 59 H -6.6762 1.4107 3.4996 H 1 UNL1 0.1655 60 H 4.9239 -2.2930 -0.6668 H 1 UNL1 0.1641 61 H 5.8334 -2.4277 -2.1856 H 1 UNL1 0.1583 62 H 4.0869 -2.1030 -2.2005 H 1 UNL1 0.1659 63 H -8.2635 -1.7078 -0.6351 H 1 UNL1 0.3392 64 H -9.3207 0.7542 1.1360 H 1 UNL1 0.3377 65 H -5.4930 -1.6938 0.2949 H 1 UNL1 0.3393 66 H 8.1447 1.5818 0.4097 H 1 UNL1 0.3386 67 H 6.1592 -1.0970 0.4764 H 1 UNL1 0.3388 68 H 6.1429 0.7897 1.2324 H 1 UNL1 0.3334 69 H -3.3622 2.4532 -1.6425 H 1 UNL1 0.1919 70 H -1.3138 -1.8424 1.0766 H 1 UNL1 0.1589 71 H -2.9042 -1.8601 0.3178 H 1 UNL1 0.1546 72 H -3.9903 1.7640 2.6607 H 1 UNL1 0.3249 73 H -0.2037 -2.4862 -1.0665 H 1 UNL1 0.1473 74 H -0.1709 4.0148 -1.4660 H 1 UNL1 0.3854 75 H 3.8945 0.6495 2.1201 H 1 UNL1 0.1978 76 H 1.6543 -2.5383 0.2346 H 1 UNL1 0.1666 77 H 5.4469 -1.0490 3.1164 H 1 UNL1 0.1883 78 H 3.1986 -4.2166 1.2239 H 1 UNL1 0.1678 79 H -1.6239 -5.2697 -2.6271 H 1 UNL1 0.1531 80 H -1.7229 -3.9269 -3.7775 H 1 UNL1 0.1557 81 H -0.2808 -4.1288 -2.7765 H 1 UNL1 0.1485 82 H -3.9914 -2.4866 -1.6632 H 1 UNL1 0.1780 83 H -3.9369 -4.0629 -2.4518 H 1 UNL1 0.1505 84 H -3.8075 -3.9550 -0.6942 H 1 UNL1 0.1549 85 H 5.1390 -4.4973 2.5484 H 1 UNL1 0.3307 @BOND 1 80 45 1 2 81 45 1 3 45 79 1 4 45 42 1 5 56 24 1 6 83 46 1 7 62 27 1 8 61 27 1 9 50 18 1 10 52 20 1 11 53 21 1 12 42 46 1 13 42 39 2 14 27 24 1 15 27 60 1 16 57 25 1 17 82 46 1 18 24 21 1 19 24 2 1 20 69 34 1 21 46 84 1 22 13 74 1 23 13 36 1 24 34 36 ar 25 34 28 ar 26 36 32 ar 27 21 20 1 28 21 9 1 29 73 39 1 30 18 22 1 31 18 7 1 32 18 16 1 33 20 8 1 34 20 23 1 35 3 28 1 36 3 22 1 37 54 22 1 38 48 16 1 39 14 33 2 40 39 37 1 41 28 29 ar 42 5 63 1 43 5 16 1 44 2 25 1 45 25 23 1 46 25 4 1 47 32 33 ar 48 32 31 ar 49 22 1 1 50 33 30 ar 51 7 65 1 52 8 66 1 53 16 17 1 54 29 31 ar 55 29 37 1 56 31 12 ar 57 23 55 1 58 23 10 1 59 30 4 1 60 30 35 ar 61 37 71 1 62 37 70 1 63 9 67 1 64 76 41 1 65 12 35 ar 66 35 38 1 67 1 19 1 68 41 38 ar 69 41 44 ar 70 17 19 1 71 17 6 1 72 17 49 1 73 51 19 1 74 38 40 ar 75 64 6 1 76 10 68 1 77 78 44 1 78 19 26 1 79 44 47 ar 80 40 75 1 81 40 43 ar 82 47 43 ar 83 47 15 1 84 43 77 1 85 85 15 1 86 72 11 1 87 26 11 1 88 26 58 1 89 26 59 1