@MOLECULE 5,7-dihydroxy-2-(4-methoxyphenyl)-8-(3-methyl-2-buten-1-yl)-4-oxo-4h-chromen-3-yl 6-deoxy-alpha-l-mannopyranoside 67 70 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C 2.4330 -2.1498 -0.0566 C.3 1 UNL1 0.2519 2 C 3.7329 -2.2129 -0.8907 C.3 1 UNL1 0.0307 3 C 4.4444 -0.8510 -0.8508 C.3 1 UNL1 0.0783 4 C 4.6256 -0.4090 0.6138 C.3 1 UNL1 0.0502 5 C 3.2478 -0.3464 1.3055 C.3 1 UNL1 0.1154 6 C -4.2786 -2.7058 0.2907 C.ar 1 UNL1 -0.4272 7 C 0.4877 2.2508 0.7770 C.ar 1 UNL1 -0.0328 8 C 1.4659 1.5482 -1.3361 C.ar 1 UNL1 -0.0345 9 C 2.2183 2.7077 -1.3820 C.ar 1 UNL1 -0.2630 10 C 1.2434 3.4186 0.7511 C.ar 1 UNL1 -0.3165 11 C -4.0470 1.1060 0.6132 C.3 1 UNL1 -0.2348 12 C 3.3747 -0.1121 2.8024 C.3 1 UNL1 -0.4604 13 C -6.7860 2.5018 0.7877 C.3 1 UNL1 -0.4650 14 C -6.7703 2.6133 -1.7189 C.3 1 UNL1 -0.4564 15 C 2.9541 5.6639 0.5594 C.3 1 UNL1 -0.2051 16 H 4.1807 -3.9143 0.0406 H 1 UNL1 0.3325 17 H 6.1930 -1.7091 -1.1944 H 1 UNL1 0.3371 18 H -1.6470 -4.4495 -0.2621 H 1 UNL1 0.3839 19 H 5.7996 1.0353 -0.0395 H 1 UNL1 0.3347 20 H -6.1480 -0.1475 0.6057 H 1 UNL1 0.3494 21 C -3.6563 -0.3218 0.4164 C.ar 1 UNL1 -0.3100 22 C -2.9422 -3.0319 0.0591 C.ar 1 UNL1 0.4601 23 C -4.6122 -1.3585 0.4490 C.ar 1 UNL1 0.4212 24 C 0.6047 1.3138 -0.2523 C.ar 1 UNL1 -0.1448 25 C 2.1041 3.6338 -0.3280 C.ar 1 UNL1 0.2892 26 O -0.1587 -3.5037 -0.4396 O.2 1 UNL1 -0.5432 27 O 4.6417 -3.1224 -0.3036 O.3 1 UNL1 -0.5589 28 O 5.6992 -0.9063 -1.4793 O.3 1 UNL1 -0.5505 29 O -2.6497 -4.3238 -0.0944 O.3 1 UNL1 -0.4550 30 O 5.1184 0.9151 0.6600 O.3 1 UNL1 -0.5593 31 O -5.9211 -1.1191 0.6428 O.3 1 UNL1 -0.4580 32 C -6.0573 2.1868 -0.4755 C.2 1 UNL1 0.0373 33 O 1.5953 -1.3235 -0.8685 O.3 1 UNL1 -0.3646 34 O 2.8922 4.7210 -0.5030 O.3 1 UNL1 -0.3056 35 C 0.3155 -1.1840 -0.4195 C.ar 1 UNL1 -0.0480 36 C -0.5580 -2.3544 -0.3070 C.ar 1 UNL1 0.5203 37 C -0.1447 0.0698 -0.1919 C.ar 1 UNL1 0.2214 38 C -1.9409 -2.0311 -0.0224 C.ar 1 UNL1 -0.4812 39 C -2.3388 -0.6996 0.1697 C.ar 1 UNL1 0.3498 40 C -4.8656 1.5808 -0.5454 C.2 1 UNL1 -0.2339 41 O -1.4530 0.3378 0.1219 O.2 1 UNL1 -0.2428 42 O 2.6039 -1.6173 1.2093 O.3 1 UNL1 -0.4216 43 H 1.9617 -3.1391 0.1448 H 1 UNL1 0.1726 44 H 3.5385 -2.5507 -1.9328 H 1 UNL1 0.1588 45 H 3.8934 -0.0845 -1.4466 H 1 UNL1 0.1662 46 H 5.3415 -1.0631 1.1549 H 1 UNL1 0.1482 47 H -5.0419 -3.4781 0.3353 H 1 UNL1 0.2064 48 H 2.6010 0.4175 0.8195 H 1 UNL1 0.1469 49 H -4.5672 1.2304 1.5876 H 1 UNL1 0.1449 50 H -3.1475 1.7614 0.7060 H 1 UNL1 0.1720 51 H -4.3922 1.3910 -1.5111 H 1 UNL1 0.1627 52 H -0.1918 2.0602 1.6100 H 1 UNL1 0.1590 53 H 1.5409 0.8082 -2.1380 H 1 UNL1 0.1726 54 H 2.8982 2.9135 -2.2060 H 1 UNL1 0.1795 55 H 1.1594 4.1367 1.5589 H 1 UNL1 0.1659 56 H 3.9852 0.7812 2.9956 H 1 UNL1 0.1674 57 H 2.3932 0.0307 3.2689 H 1 UNL1 0.1532 58 H 3.8529 -0.9630 3.3040 H 1 UNL1 0.1601 59 H -6.9460 3.5873 0.8848 H 1 UNL1 0.1635 60 H -7.7810 2.0338 0.8058 H 1 UNL1 0.1576 61 H -6.2554 2.1852 1.6943 H 1 UNL1 0.1506 62 H -7.7447 2.1132 -1.8127 H 1 UNL1 0.1571 63 H -6.9586 3.6964 -1.7188 H 1 UNL1 0.1571 64 H -6.2046 2.3875 -2.6334 H 1 UNL1 0.1563 65 H 3.6915 6.3864 0.1820 H 1 UNL1 0.1563 66 H 1.9851 6.1488 0.7086 H 1 UNL1 0.1336 67 H 3.3178 5.1932 1.4788 H 1 UNL1 0.1411 @BOND 1 64 14 1 2 54 9 1 3 53 8 1 4 44 2 1 5 62 14 1 6 14 63 1 7 14 32 1 8 51 40 1 9 28 17 1 10 28 3 1 11 45 3 1 12 9 8 ar 13 9 25 ar 14 8 24 ar 15 2 3 1 16 2 27 1 17 2 1 1 18 33 35 1 19 33 1 1 20 3 4 1 21 40 32 2 22 40 11 1 23 34 25 1 24 34 15 1 25 32 13 1 26 26 36 2 27 35 36 ar 28 35 37 ar 29 25 10 ar 30 36 38 ar 31 27 16 1 32 18 29 1 33 24 37 1 34 24 7 ar 35 37 41 ar 36 29 22 1 37 1 43 1 38 1 42 1 39 19 30 1 40 38 22 ar 41 38 39 ar 42 22 6 ar 43 41 39 ar 44 39 21 ar 45 65 15 1 46 6 47 1 47 6 23 ar 48 21 23 ar 49 21 11 1 50 23 31 1 51 15 66 1 52 15 67 1 53 20 31 1 54 11 50 1 55 11 49 1 56 4 30 1 57 4 46 1 58 4 5 1 59 10 7 ar 60 10 55 1 61 7 52 1 62 13 60 1 63 13 59 1 64 13 61 1 65 48 5 1 66 42 5 1 67 5 12 1 68 12 56 1 69 12 57 1 70 12 58 1