@MOLECULE (e)-1-(2,4-dihydroxy-3-(3-methyl-2-butenyl)phenyl)-3-phenyl-2-propen-1-one 43 44 0 0 0 SMALL GASTEIGER @ATOM 1 O 1.7793 -1.7927 1.0961 O.3 1 UNL1111111111 -0.4876 2 O 3.7250 2.4748 0.4523 O.3 1 UNL1111111111 -0.4642 3 O -0.7545 -1.9727 0.7699 O.2 1 UNL1111111111 -0.5411 4 C 2.8127 0.2692 0.8039 C.ar 1 UNL1111111111 -0.2784 5 C 4.1225 -0.3530 1.1680 C.3 1 UNL1111111111 -0.2339 6 C 1.6332 -0.5012 0.7846 C.ar 1 UNL1111111111 0.4190 7 C 0.3768 0.0507 0.4478 C.ar 1 UNL1111111111 -0.4063 8 C 2.6854 1.6193 0.4840 C.ar 1 UNL1111111111 0.3781 9 C 5.1716 -0.1732 0.1147 C.2 1 UNL1111111111 -0.2908 10 C 0.3127 1.4263 0.1597 C.ar 1 UNL1111111111 0.0250 11 C 1.4425 2.2133 0.1720 C.ar 1 UNL1111111111 -0.3368 12 C 5.0526 -0.5924 -1.1538 C.2 1 UNL1111111111 0.1059 13 C -0.8086 -0.7982 0.4167 C.2 1 UNL1111111111 0.5348 14 C 3.8451 -1.2820 -1.6881 C.3 1 UNL1111111111 -0.4667 15 C 6.1502 -0.3761 -2.1449 C.3 1 UNL1111111111 -0.4665 16 C -2.0984 -0.2517 -0.0470 C.2 1 UNL1111111111 -0.3021 17 C -3.2507 -0.7292 0.4430 C.2 1 UNL1111111111 -0.0430 18 C -4.5629 -0.2390 0.0246 C.ar 1 UNL1111111111 -0.0374 19 C -4.7963 1.1275 -0.1557 C.ar 1 UNL1111111111 -0.1422 20 C -5.5980 -1.1549 -0.1921 C.ar 1 UNL1111111111 -0.1434 21 C -6.0545 1.5727 -0.5542 C.ar 1 UNL1111111111 -0.1508 22 C -6.8512 -0.7057 -0.5993 C.ar 1 UNL1111111111 -0.1458 23 C -7.0816 0.6577 -0.7795 C.ar 1 UNL1111111111 -0.1416 24 H 4.4689 0.0513 2.1451 H 1 UNL1111111111 0.1457 25 H 3.9921 -1.4479 1.3619 H 1 UNL1111111111 0.1817 26 H 6.0876 0.2984 0.4617 H 1 UNL1111111111 0.1425 27 H -0.6529 1.8821 -0.0744 H 1 UNL1111111111 0.1537 28 H 1.4089 3.2752 -0.0533 H 1 UNL1111111111 0.1817 29 H 3.0816 -0.5508 -1.9956 H 1 UNL1111111111 0.1638 30 H 4.0650 -1.9119 -2.5583 H 1 UNL1111111111 0.1520 31 H 3.3707 -1.9283 -0.9303 H 1 UNL1111111111 0.1749 32 H 6.9906 0.1997 -1.7375 H 1 UNL1111111111 0.1508 33 H 6.5576 -1.3353 -2.4967 H 1 UNL1111111111 0.1603 34 H 5.7835 0.1649 -3.0294 H 1 UNL1111111111 0.1591 35 H -2.0587 0.5176 -0.8141 H 1 UNL1111111111 0.1721 36 H 0.8721 -2.2774 1.0859 H 1 UNL1111111111 0.3888 37 H 4.6028 2.0234 0.5839 H 1 UNL1111111111 0.3470 38 H -3.2586 -1.5339 1.1906 H 1 UNL1111111111 0.1741 39 H -3.9969 1.8447 0.0242 H 1 UNL1111111111 0.1549 40 H -5.4209 -2.2205 -0.0501 H 1 UNL1111111111 0.1582 41 H -6.2358 2.6368 -0.6904 H 1 UNL1111111111 0.1504 42 H -7.6534 -1.4202 -0.7752 H 1 UNL1111111111 0.1531 43 H -8.0633 1.0071 -1.0945 H 1 UNL1111111111 0.1514 @BOND 1 1 6 1 2 1 36 1 3 2 8 1 4 2 37 1 5 3 13 2 6 4 5 1 7 4 6 ar 8 4 8 ar 9 5 9 1 10 5 24 1 11 5 25 1 12 6 7 ar 13 7 10 ar 14 7 13 1 15 8 11 ar 16 9 12 2 17 9 26 1 18 10 11 ar 19 10 27 1 20 11 28 1 21 12 14 1 22 12 15 1 23 13 16 1 24 14 29 1 25 14 30 1 26 14 31 1 27 15 32 1 28 15 33 1 29 15 34 1 30 16 17 2 31 16 35 1 32 17 18 1 33 17 38 1 34 18 19 ar 35 18 20 ar 36 19 21 ar 37 19 39 1 38 20 22 ar 39 20 40 1 40 21 23 ar 41 21 41 1 42 22 23 ar 43 22 42 1 44 23 43 1