@MOLECULE 5,7-dihydroxy-2-phenyl-6-(3-phenyl-allyl)-chromen-4-one 46 49 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O -2.7162 -0.5354 -0.4054 O.2 1 UNL1 -0.2628 2 O 0.3971 3.0381 0.3938 O.3 1 UNL1 -0.4678 3 O 1.6538 -0.9413 -1.8712 O.3 1 UNL1 -0.4518 4 O -2.0989 3.1682 1.1868 O.2 1 UNL1 -0.5392 5 C 1.1005 1.1133 -0.7320 C.ar 1 UNL1 -0.3263 6 C -1.2234 1.3164 0.0477 C.ar 1 UNL1 -0.4845 7 C -1.4824 0.0479 -0.4859 C.ar 1 UNL1 0.3680 8 C 0.0855 1.8355 -0.0879 C.ar 1 UNL1 0.4519 9 C 2.4705 1.6877 -0.8751 C.3 1 UNL1 -0.2488 10 C 0.7677 -0.1533 -1.2376 C.ar 1 UNL1 0.4188 11 C -0.5173 -0.7108 -1.1302 C.ar 1 UNL1 -0.4213 12 C -2.2827 2.0541 0.7137 C.ar 1 UNL1 0.5573 13 C -3.7230 0.1492 0.2282 C.ar 1 UNL1 0.2975 14 C -3.5678 1.3697 0.7754 C.ar 1 UNL1 -0.4243 15 C -4.9334 -0.6725 0.2000 C.ar 1 UNL1 -0.0841 16 C 3.4825 0.8379 -0.1751 C.2 1 UNL1 -0.1229 17 C 4.6352 0.4626 -0.7426 C.2 1 UNL1 -0.2200 18 C -6.1835 -0.0617 0.0620 C.ar 1 UNL1 -0.1077 19 C -4.8361 -2.0629 0.3085 C.ar 1 UNL1 -0.0983 20 C 5.6183 -0.3747 -0.0568 C.ar 1 UNL1 0.0045 21 C -7.3346 -0.8443 0.0411 C.ar 1 UNL1 -0.1588 22 C -5.9920 -2.8393 0.2859 C.ar 1 UNL1 -0.1623 23 C -7.2395 -2.2312 0.1535 C.ar 1 UNL1 -0.1143 24 C 5.2120 -1.4817 0.6955 C.ar 1 UNL1 -0.1641 25 C 6.9798 -0.0701 -0.1612 C.ar 1 UNL1 -0.1626 26 C 6.1612 -2.2709 1.3404 C.ar 1 UNL1 -0.1390 27 C 7.9237 -0.8592 0.4898 C.ar 1 UNL1 -0.1404 28 C 7.5159 -1.9612 1.2407 C.ar 1 UNL1 -0.1552 29 H 2.7156 1.8420 -1.9484 H 1 UNL1 0.1503 30 H 2.5102 2.7195 -0.4393 H 1 UNL1 0.1901 31 H -0.7302 -1.6928 -1.5405 H 1 UNL1 0.2034 32 H -4.3732 1.8901 1.2897 H 1 UNL1 0.2030 33 H 3.2142 0.5513 0.8434 H 1 UNL1 0.1628 34 H 4.9183 0.7805 -1.7471 H 1 UNL1 0.1564 35 H -0.4241 3.4730 0.8429 H 1 UNL1 0.3929 36 H -6.2572 1.0223 -0.0343 H 1 UNL1 0.1633 37 H -3.8590 -2.5381 0.4114 H 1 UNL1 0.1672 38 H 2.5775 -0.5635 -1.8831 H 1 UNL1 0.3479 39 H -8.3104 -0.3728 -0.0647 H 1 UNL1 0.1563 40 H -5.9206 -3.9225 0.3717 H 1 UNL1 0.1568 41 H -8.1424 -2.8408 0.1366 H 1 UNL1 0.1524 42 H 4.1551 -1.7295 0.7729 H 1 UNL1 0.1551 43 H 7.2997 0.7900 -0.7458 H 1 UNL1 0.1527 44 H 5.8425 -3.1325 1.9242 H 1 UNL1 0.1498 45 H 8.9816 -0.6158 0.4119 H 1 UNL1 0.1490 46 H 8.2545 -2.5781 1.7477 H 1 UNL1 0.1493 @BOND 1 29 9 1 2 38 3 1 3 3 10 1 4 34 17 1 5 31 11 1 6 10 11 ar 7 10 5 ar 8 11 7 ar 9 9 5 1 10 9 30 1 11 9 16 1 12 43 25 1 13 17 16 2 14 17 20 1 15 5 8 ar 16 7 1 ar 17 7 6 ar 18 1 13 ar 19 16 33 1 20 25 20 ar 21 25 27 ar 22 8 6 ar 23 8 2 1 24 39 21 1 25 20 24 ar 26 36 18 1 27 21 18 ar 28 21 23 ar 29 6 12 ar 30 18 15 ar 31 41 23 1 32 23 22 ar 33 15 13 1 34 15 19 ar 35 13 14 ar 36 22 19 ar 37 22 40 1 38 19 37 1 39 2 35 1 40 45 27 1 41 27 28 ar 42 24 42 1 43 24 26 ar 44 12 14 ar 45 12 4 2 46 14 32 1 47 28 26 ar 48 28 46 1 49 26 44 1