@MOLECULE 7-hydroxy-3-[4-hydroxy-3-(3-methyl-2-buten-1-yl)phenyl]-4h-chromen-4-one 42 44 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O -2.6108 -1.9120 0.8053 O.2 1 UNL1 -0.2534 2 O 5.0631 -1.7602 -0.3569 O.3 1 UNL1 -0.4768 3 O -0.3474 1.0607 -0.8407 O.2 1 UNL1 -0.4604 4 O -6.5753 0.4157 0.1539 O.3 1 UNL1 -0.4559 5 C 0.9854 -1.3119 0.0048 C.ar 1 UNL1 -0.0434 6 C 3.2393 -0.4746 0.3371 C.ar 1 UNL1 -0.0575 7 C -0.4531 -1.1009 0.1264 C.ar 1 UNL1 -0.2426 8 C 4.2265 0.5552 0.7889 C.3 1 UNL1 -0.2528 9 C 1.8656 -0.3235 0.4684 C.ar 1 UNL1 -0.0913 10 C -2.4768 0.2663 -0.2546 C.ar 1 UNL1 -0.3350 11 C -1.0171 0.1684 -0.3742 C.ar 1 UNL1 0.5090 12 C 3.7089 -1.6596 -0.2589 C.ar 1 UNL1 0.2489 13 C 1.4808 -2.4729 -0.5896 C.ar 1 UNL1 -0.1048 14 C -3.2039 -0.7755 0.3297 C.ar 1 UNL1 0.3119 15 C 2.8560 -2.6578 -0.7214 C.ar 1 UNL1 -0.2973 16 C -1.2600 -2.0262 0.6762 C.ar 1 UNL1 0.1209 17 C 3.6187 1.8827 1.1117 C.2 1 UNL1 -0.2588 18 C -3.1644 1.3970 -0.7155 C.ar 1 UNL1 0.0530 19 C 3.0304 2.6863 0.2139 C.2 1 UNL1 0.0886 20 C -4.5900 -0.7378 0.4740 C.ar 1 UNL1 -0.3609 21 C -4.5425 1.4777 -0.5944 C.ar 1 UNL1 -0.3802 22 C -5.2328 0.4063 0.0006 C.ar 1 UNL1 0.3733 23 C 2.4420 4.0001 0.6196 C.3 1 UNL1 -0.4614 24 C 2.8658 2.3448 -1.2267 C.3 1 UNL1 -0.4701 25 H 4.7814 0.1568 1.6693 H 1 UNL1 0.1562 26 H 5.0136 0.6841 0.0059 H 1 UNL1 0.1675 27 H 1.4609 0.5868 0.9208 H 1 UNL1 0.1803 28 H 0.7969 -3.2313 -0.9652 H 1 UNL1 0.1500 29 H 3.2479 -3.5571 -1.1822 H 1 UNL1 0.1568 30 H -0.9862 -2.9908 1.0994 H 1 UNL1 0.1808 31 H 3.6921 2.1687 2.1573 H 1 UNL1 0.1459 32 H -2.5908 2.2128 -1.1719 H 1 UNL1 0.1775 33 H -5.1452 -1.5521 0.9302 H 1 UNL1 0.2005 34 H -5.0801 2.3491 -0.9499 H 1 UNL1 0.1709 35 H 2.5065 4.1826 1.6990 H 1 UNL1 0.1473 36 H 2.9506 4.8337 0.1166 H 1 UNL1 0.1523 37 H 1.3778 4.0512 0.3436 H 1 UNL1 0.1611 38 H 1.8989 1.8275 -1.3842 H 1 UNL1 0.1875 39 H 2.8669 3.2283 -1.8746 H 1 UNL1 0.1485 40 H 3.6451 1.6635 -1.5925 H 1 UNL1 0.1558 41 H 5.3408 -2.5949 -0.8019 H 1 UNL1 0.3245 42 H -6.9924 1.2436 -0.1951 H 1 UNL1 0.3335 @BOND 1 39 24 1 2 40 24 1 3 38 24 1 4 24 19 1 5 29 15 1 6 32 18 1 7 28 13 1 8 34 21 1 9 3 11 2 10 41 2 1 11 15 13 ar 12 15 12 ar 13 18 21 ar 14 18 10 ar 15 21 22 ar 16 13 5 ar 17 11 10 ar 18 11 7 ar 19 2 12 1 20 12 6 ar 21 10 14 ar 22 42 4 1 23 22 4 1 24 22 20 ar 25 5 7 1 26 5 9 ar 27 26 8 1 28 36 23 1 29 7 16 ar 30 19 23 1 31 19 17 2 32 14 20 ar 33 14 1 ar 34 6 9 ar 35 6 8 1 36 37 23 1 37 9 27 1 38 20 33 1 39 23 35 1 40 16 1 ar 41 16 30 1 42 8 17 1 43 8 25 1 44 17 31 1