@MOLECULE (1e,6e)-1-{3-[(3e)-4-(3,4-dimethoxyphenyl)-3-buten-2-yl]-4-hydroxy-5-methoxyphenyl}-7-(4-hydroxy-3-methoxyphenyl)-1,6-heptadiene-3,5-dione 75 77 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O 3.8092 4.7477 -0.6368 O.3 1 UNL1 -0.4750 2 O 2.0991 5.7103 1.4291 O.3 1 UNL1 -0.2993 3 O 8.3371 -3.0017 -0.9649 O.3 1 UNL1 -0.3415 4 O 6.7097 -4.4756 0.9058 O.3 1 UNL1 -0.3395 5 O -2.3201 0.0522 2.8197 O.2 1 UNL1 -0.4413 6 O -2.5934 -0.9839 -0.9449 O.2 1 UNL1 -0.4565 7 O -9.9892 -0.5029 -1.7920 O.3 1 UNL1 -0.3426 8 O -10.8519 -1.4978 0.5556 O.3 1 UNL1 -0.4453 9 C 3.3592 2.1297 -1.8377 C.3 1 UNL1 -0.0880 10 C 2.4922 2.7178 -0.7546 C.ar 1 UNL1 -0.0862 11 C 2.5643 1.9928 -3.1431 C.3 1 UNL1 -0.4404 12 C 2.7697 3.9755 -0.2143 C.ar 1 UNL1 0.1333 13 C 1.4043 1.9954 -0.2616 C.ar 1 UNL1 -0.1596 14 C 3.8510 0.7873 -1.3756 C.2 1 UNL1 -0.1357 15 C 0.6170 2.5043 0.7713 C.ar 1 UNL1 -0.0281 16 C 1.9656 4.5104 0.8109 C.ar 1 UNL1 0.1736 17 C 0.8880 3.7687 1.3007 C.ar 1 UNL1 -0.2107 18 C 5.0981 0.5784 -0.9419 C.2 1 UNL1 -0.1741 19 C 5.5419 -0.7288 -0.4555 C.ar 1 UNL1 -0.0001 20 C -0.4922 1.7264 1.3187 C.2 1 UNL1 -0.0277 21 C 6.7161 -1.2903 -0.9641 C.ar 1 UNL1 -0.2026 22 C 4.7971 -1.4115 0.5119 C.ar 1 UNL1 -0.1582 23 C -0.4812 0.3868 1.3817 C.2 1 UNL1 -0.3093 24 C 7.1336 -2.5353 -0.5003 C.ar 1 UNL1 0.1344 25 C 5.2222 -2.6489 0.9862 C.ar 1 UNL1 -0.1834 26 C 6.3943 -3.2109 0.4816 C.ar 1 UNL1 0.1240 27 C -1.6371 -0.3522 1.9112 C.2 1 UNL1 0.4910 28 C 3.1518 6.5677 1.0065 C.3 1 UNL1 -0.1899 29 C -1.9627 -1.6685 1.2308 C.3 1 UNL1 -0.5001 30 C -2.9688 -1.3771 0.1348 C.2 1 UNL1 0.4945 31 C -6.7730 -1.1130 -0.0520 C.ar 1 UNL1 -0.0599 32 C -4.3879 -1.5732 0.4606 C.2 1 UNL1 -0.3243 33 C -5.3397 -0.9908 -0.2875 C.2 1 UNL1 -0.0172 34 C 8.2098 -4.1740 -1.7675 C.3 1 UNL1 -0.1981 35 C -7.6501 -0.7015 -1.0728 C.ar 1 UNL1 -0.2064 36 C 7.9364 -4.5398 1.6312 C.3 1 UNL1 -0.1988 37 C -7.2867 -1.6219 1.1421 C.ar 1 UNL1 -0.1105 38 C -9.0162 -0.8217 -0.8890 C.ar 1 UNL1 0.0954 39 C -9.5263 -1.3492 0.3206 C.ar 1 UNL1 0.2209 40 C -8.6623 -1.7467 1.3346 C.ar 1 UNL1 -0.2149 41 C -9.5830 0.2611 -2.9191 C.3 1 UNL1 -0.1854 42 H 3.1099 -0.0114 -1.4045 H 1 UNL1 0.1577 43 H 5.8549 1.3623 -0.9214 H 1 UNL1 0.1566 44 H -1.3478 2.3043 1.6889 H 1 UNL1 0.1676 45 H 0.3582 -0.2138 1.0385 H 1 UNL1 0.1738 46 H -4.6086 -2.1892 1.3278 H 1 UNL1 0.1722 47 H -5.0515 -0.3771 -1.1540 H 1 UNL1 0.1656 48 H 4.3377 4.2911 -1.3452 H 1 UNL1 0.3254 49 H -11.3930 -1.1620 -0.2069 H 1 UNL1 0.3395 50 H 4.2394 2.7990 -2.0424 H 1 UNL1 0.1273 51 H 1.6905 1.3400 -3.0212 H 1 UNL1 0.1580 52 H 3.1841 1.5682 -3.9409 H 1 UNL1 0.1503 53 H 2.1926 2.9654 -3.4857 H 1 UNL1 0.1507 54 H 1.1644 1.0238 -0.6946 H 1 UNL1 0.1672 55 H 0.2768 4.1864 2.1007 H 1 UNL1 0.1803 56 H 7.3045 -0.7739 -1.7200 H 1 UNL1 0.1732 57 H 3.8857 -0.9632 0.9069 H 1 UNL1 0.1651 58 H 4.6550 -3.1851 1.7449 H 1 UNL1 0.1705 59 H 3.0079 7.4403 1.6568 H 1 UNL1 0.1439 60 H 3.0340 6.8435 -0.0466 H 1 UNL1 0.1422 61 H 4.1280 6.1051 1.1872 H 1 UNL1 0.1442 62 H -2.3597 -2.3910 1.9700 H 1 UNL1 0.1853 63 H -1.0573 -2.1369 0.7970 H 1 UNL1 0.1873 64 H 9.2519 -4.4087 -2.0133 H 1 UNL1 0.1462 65 H 7.6370 -3.9503 -2.6723 H 1 UNL1 0.1302 66 H 7.7459 -4.9916 -1.2048 H 1 UNL1 0.1450 67 H -7.2462 -0.3009 -1.9996 H 1 UNL1 0.1665 68 H 8.0326 -5.6115 1.8405 H 1 UNL1 0.1454 69 H 7.8535 -3.9670 2.5596 H 1 UNL1 0.1310 70 H 8.7771 -4.1814 1.0274 H 1 UNL1 0.1460 71 H -6.6117 -1.9225 1.9445 H 1 UNL1 0.1632 72 H -9.0683 -2.1475 2.2624 H 1 UNL1 0.1804 73 H -10.5407 0.4589 -3.4202 H 1 UNL1 0.1522 74 H -8.9268 -0.3289 -3.5674 H 1 UNL1 0.1364 75 H -9.1088 1.1983 -2.6110 H 1 UNL1 0.1373 @BOND 1 52 11 1 2 74 41 1 3 53 11 1 4 73 41 1 5 11 51 1 6 11 9 1 7 41 75 1 8 41 7 1 9 65 34 1 10 50 9 1 11 64 34 1 12 67 35 1 13 9 14 1 14 9 10 1 15 7 38 1 16 34 66 1 17 34 3 1 18 56 21 1 19 42 14 1 20 14 18 2 21 48 1 1 22 47 33 1 23 35 38 ar 24 35 31 ar 25 3 24 1 26 21 24 ar 27 21 19 ar 28 6 30 2 29 18 43 1 30 18 19 1 31 38 39 ar 32 10 13 ar 33 10 12 ar 34 54 13 1 35 1 12 1 36 24 26 ar 37 19 22 ar 38 33 31 1 39 33 32 2 40 13 15 ar 41 12 16 ar 42 49 8 1 43 31 37 ar 44 60 28 1 45 30 32 1 46 30 29 1 47 39 8 1 48 39 40 ar 49 32 46 1 50 26 4 1 51 26 25 ar 52 22 57 1 53 22 25 ar 54 15 17 ar 55 15 20 1 56 63 29 1 57 16 17 ar 58 16 2 1 59 4 36 1 60 25 58 1 61 28 61 1 62 28 2 1 63 28 59 1 64 70 36 1 65 45 23 1 66 37 40 ar 67 37 71 1 68 29 27 1 69 29 62 1 70 17 55 1 71 20 23 2 72 20 44 1 73 40 72 1 74 23 27 1 75 36 68 1 76 36 69 1 77 27 5 2