@MOLECULE 6-(2,3-dihydroxy-3-methylbutyl)-5,7-dimethoxy-2h-chromen-2-one 42 43 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O -4.6408 0.2478 -1.6261 O.3 1 UNL1 -0.5456 2 O -2.3968 1.5380 -1.0597 O.3 1 UNL1 -0.5491 3 O 0.1329 2.1663 0.3453 O.3 1 UNL1 -0.3715 4 O -0.7537 -2.4353 0.5103 O.3 1 UNL1 -0.2897 5 O 3.6931 -0.9624 -0.2671 O.2 1 UNL1 -0.3654 6 O 5.7568 -0.3696 -0.6302 O.2 1 UNL1 -0.4098 7 C -4.0997 0.0839 -0.3269 C.3 1 UNL1 0.3144 8 C -2.5654 0.2239 -0.5675 C.3 1 UNL1 0.1365 9 C -1.7613 0.0329 0.7355 C.3 1 UNL1 -0.3139 10 C -0.3130 -0.1753 0.4593 C.ar 1 UNL1 -0.2210 11 C -4.6149 1.1650 0.6208 C.3 1 UNL1 -0.5064 12 C -4.4947 -1.3227 0.1412 C.3 1 UNL1 -0.5094 13 C 0.5830 0.8690 0.3131 C.ar 1 UNL1 0.3116 14 C 0.1994 -1.4969 0.3347 C.ar 1 UNL1 0.3339 15 C 1.9526 0.6679 0.0395 C.ar 1 UNL1 -0.3276 16 C 2.4041 -0.6595 -0.0527 C.ar 1 UNL1 0.3760 17 C 1.5409 -1.7550 0.0903 C.ar 1 UNL1 -0.4251 18 C 2.8937 1.7301 -0.1609 C.ar 1 UNL1 0.0613 19 C 4.1879 1.4303 -0.3999 C.ar 1 UNL1 -0.3823 20 C 4.6539 0.0617 -0.4483 C.ar 1 UNL1 0.6039 21 C 0.1347 2.7220 1.6597 C.3 1 UNL1 -0.1800 22 C -0.3538 -3.8003 0.4584 C.3 1 UNL1 -0.2016 23 H -2.2366 -0.4678 -1.3739 H 1 UNL1 0.1444 24 H -2.1733 -0.8226 1.3132 H 1 UNL1 0.1673 25 H -1.9180 0.9222 1.3837 H 1 UNL1 0.1605 26 H -4.2362 1.0321 1.6383 H 1 UNL1 0.1478 27 H -5.7075 1.1781 0.6745 H 1 UNL1 0.1440 28 H -4.2845 2.1560 0.2665 H 1 UNL1 0.1803 29 H -4.0787 -1.5773 1.1172 H 1 UNL1 0.1474 30 H -4.1514 -2.0743 -0.5816 H 1 UNL1 0.1633 31 H -5.5855 -1.4133 0.2087 H 1 UNL1 0.1517 32 H -1.5183 1.8911 -0.8112 H 1 UNL1 0.3253 33 H -5.5898 0.4622 -1.5894 H 1 UNL1 0.3088 34 H 1.9450 -2.7602 0.0108 H 1 UNL1 0.1980 35 H 2.5236 2.7596 -0.1308 H 1 UNL1 0.1691 36 H 4.9482 2.1908 -0.5791 H 1 UNL1 0.1931 37 H 1.1547 3.0390 1.9076 H 1 UNL1 0.1340 38 H -0.2429 2.0242 2.4095 H 1 UNL1 0.1339 39 H -0.5369 3.5843 1.5596 H 1 UNL1 0.1542 40 H 0.0040 -4.0592 -0.5437 H 1 UNL1 0.1450 41 H -1.2942 -4.3210 0.6815 H 1 UNL1 0.1537 42 H 0.4003 -4.0211 1.2212 H 1 UNL1 0.1391 @BOND 1 1 33 1 2 1 7 1 3 23 8 1 4 2 32 1 5 2 8 1 6 6 20 2 7 30 12 1 8 36 19 1 9 8 7 1 10 8 9 1 11 40 22 1 12 20 19 ar 13 20 5 ar 14 19 18 ar 15 7 12 1 16 7 11 1 17 5 16 ar 18 18 35 1 19 18 15 ar 20 16 15 ar 21 16 17 ar 22 34 17 1 23 15 13 ar 24 17 14 ar 25 12 31 1 26 12 29 1 27 28 11 1 28 13 3 1 29 13 10 ar 30 14 10 ar 31 14 4 1 32 3 21 1 33 22 4 1 34 22 41 1 35 22 42 1 36 10 9 1 37 11 27 1 38 11 26 1 39 9 24 1 40 9 25 1 41 39 21 1 42 21 37 1 43 21 38 1