@MOLECULE 3,5,7-trihydroxy-2-(4-hydroxyphenyl)-8-(3-methyl-2-buten-1-yl)-4h-chromen-4-one 44 46 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O 0.0356 0.0766 -0.3401 O.2 1 UNL1 -0.1884 2 O 4.2599 1.9706 -0.8794 O.3 1 UNL1 -0.4485 3 O 4.0183 -2.5547 0.4036 O.3 1 UNL1 -0.4605 4 O -1.0589 -3.2895 0.5998 O.3 1 UNL1 -0.3828 5 O 1.6206 -3.5803 0.6938 O.2 1 UNL1 -0.4822 6 O -6.2015 0.1259 -0.4061 O.3 1 UNL1 -0.4641 7 C 2.1458 1.0213 -0.6012 C.ar 1 UNL1 -0.2457 8 C 1.3871 -0.1061 -0.2746 C.ar 1 UNL1 0.3341 9 C 1.9683 -1.3409 0.0674 C.ar 1 UNL1 -0.4831 10 C 1.5381 2.3278 -0.9847 C.3 1 UNL1 -0.2233 11 C 3.5432 0.8716 -0.5564 C.ar 1 UNL1 0.4052 12 C 3.3806 -1.4266 0.0904 C.ar 1 UNL1 0.4703 13 C -0.7634 -1.0027 -0.0418 C.ar 1 UNL1 0.0610 14 C 1.1560 -2.4965 0.3866 C.ar 1 UNL1 0.5177 15 C 4.1791 -0.3257 -0.2204 C.ar 1 UNL1 -0.4861 16 C -0.2878 -2.2195 0.3004 C.ar 1 UNL1 0.0228 17 C 1.2993 3.1824 0.2206 C.2 1 UNL1 -0.2143 18 C -2.1827 -0.6741 -0.1284 C.ar 1 UNL1 -0.1354 19 C 0.0989 3.6186 0.6231 C.2 1 UNL1 0.0475 20 C -2.8514 -0.2209 1.0119 C.ar 1 UNL1 -0.0359 21 C -2.8737 -0.8645 -1.3319 C.ar 1 UNL1 -0.0478 22 C -0.0313 4.5060 1.8219 C.3 1 UNL1 -0.4559 23 C -1.1974 3.2932 -0.0408 C.3 1 UNL1 -0.4544 24 C -4.2152 0.0506 0.9623 C.ar 1 UNL1 -0.3235 25 C -4.2319 -0.5974 -1.4042 C.ar 1 UNL1 -0.2593 26 C -4.8817 -0.1322 -0.2523 C.ar 1 UNL1 0.3175 27 H 2.2107 2.8783 -1.6863 H 1 UNL1 0.1621 28 H 0.6069 2.1610 -1.5681 H 1 UNL1 0.1521 29 H 5.2554 -0.4240 -0.1967 H 1 UNL1 0.1904 30 H 2.2094 3.4446 0.7604 H 1 UNL1 0.1512 31 H -2.3008 -0.0797 1.9451 H 1 UNL1 0.1655 32 H -2.3422 -1.2277 -2.2148 H 1 UNL1 0.1658 33 H 5.2368 1.7951 -0.8494 H 1 UNL1 0.3333 34 H 0.9357 4.7265 2.2925 H 1 UNL1 0.1504 35 H -0.4881 5.4688 1.5548 H 1 UNL1 0.1523 36 H -0.6654 4.0421 2.5887 H 1 UNL1 0.1522 37 H -1.1082 2.5150 -0.8129 H 1 UNL1 0.1578 38 H -1.9301 2.9203 0.6901 H 1 UNL1 0.1513 39 H -1.6276 4.1791 -0.5231 H 1 UNL1 0.1527 40 H 3.3554 -3.3070 0.6149 H 1 UNL1 0.3846 41 H -4.7430 0.3986 1.8431 H 1 UNL1 0.1664 42 H -4.7979 -0.7382 -2.3236 H 1 UNL1 0.1813 43 H -2.0269 -3.0643 0.5238 H 1 UNL1 0.3142 44 H -6.6222 0.4647 0.4220 H 1 UNL1 0.3315 @BOND 1 42 25 1 2 32 21 1 3 27 10 1 4 28 10 1 5 25 21 ar 6 25 26 ar 7 21 18 ar 8 10 7 1 9 10 17 1 10 2 33 1 11 2 11 1 12 37 23 1 13 7 11 ar 14 7 8 ar 15 11 15 ar 16 39 23 1 17 6 26 1 18 6 44 1 19 1 8 ar 20 1 13 ar 21 8 9 ar 22 26 24 ar 23 15 29 1 24 15 12 ar 25 18 13 1 26 18 20 ar 27 13 16 ar 28 23 19 1 29 23 38 1 30 9 12 ar 31 9 14 ar 32 12 3 1 33 17 19 2 34 17 30 1 35 16 14 ar 36 16 4 1 37 14 5 2 38 3 40 1 39 43 4 1 40 19 22 1 41 24 20 ar 42 24 41 1 43 20 31 1 44 35 22 1 45 22 34 1 46 22 36 1