@MOLECULE (1e,6e)-1-(4-hydroxy-3-methoxyphenyl)-7-{4-hydroxy-3-methoxy-5-[(3e)-4-(2,4,5-trimethoxyphenyl)-3-buten-2-yl]phenyl}-1,6-heptadiene-3,5-dione 79 81 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O 4.0114 3.4170 -0.7252 O.3 1 UNL1 -0.4866 2 O 2.7219 5.1709 1.1270 O.3 1 UNL1 -0.3046 3 O 6.7883 -1.0093 -2.7301 O.3 1 UNL1 -0.3073 4 O 5.5832 -2.7193 2.3586 O.3 1 UNL1 -0.3208 5 O 7.7869 -3.8046 0.9451 O.3 1 UNL1 -0.3019 6 O -4.1569 2.3219 1.1326 O.2 1 UNL1 -0.4661 7 O -2.4207 -1.4270 1.6577 O.2 1 UNL1 -0.4451 8 O -10.3704 -0.2923 -0.7134 O.3 1 UNL1 -0.3438 9 O -10.3668 -2.8417 -1.5839 O.3 1 UNL1 -0.4466 10 C 2.5586 1.3656 -2.0872 C.3 1 UNL1 -0.0968 11 C 1.9126 2.2630 -1.0629 C.ar 1 UNL1 -0.0641 12 C 1.5545 0.6712 -3.0163 C.3 1 UNL1 -0.4335 13 C 3.3520 0.3188 -1.3583 C.2 1 UNL1 -0.1733 14 C 2.6877 3.2515 -0.4438 C.ar 1 UNL1 0.1246 15 C 0.5738 2.1350 -0.6988 C.ar 1 UNL1 -0.1744 16 C 0.0039 3.0094 0.2280 C.ar 1 UNL1 -0.0313 17 C 2.1149 4.1491 0.4742 C.ar 1 UNL1 0.1783 18 C 0.7595 4.0316 0.7997 C.ar 1 UNL1 -0.2246 19 C 4.6599 0.1218 -1.5673 C.2 1 UNL1 -0.1451 20 C 5.4376 -0.8822 -0.8565 C.ar 1 UNL1 -0.1276 21 C -1.3982 2.8561 0.6193 C.2 1 UNL1 -0.0156 22 C 6.5530 -1.4786 -1.4761 C.ar 1 UNL1 0.2520 23 C 5.1094 -1.2829 0.4417 C.ar 1 UNL1 -0.1615 24 C 5.8551 -2.2521 1.1003 C.ar 1 UNL1 0.0452 25 C 7.3096 -2.4577 -0.8381 C.ar 1 UNL1 -0.3586 26 C 6.9593 -2.8498 0.4582 C.ar 1 UNL1 0.2350 27 C -1.8816 1.7012 1.0966 C.2 1 UNL1 -0.3294 28 C 4.1065 5.3899 0.8854 C.3 1 UNL1 -0.1879 29 C -3.2833 1.5776 1.5119 C.2 1 UNL1 0.4994 30 C -3.6066 0.4511 2.4708 C.3 1 UNL1 -0.5073 31 C 7.9111 -1.5411 -3.4207 C.3 1 UNL1 -0.2009 32 C -3.4909 -0.8769 1.7516 C.2 1 UNL1 0.4948 33 C 4.6454 -1.9704 3.1192 C.3 1 UNL1 -0.2013 34 C 7.4998 -4.3576 2.2233 C.3 1 UNL1 -0.1921 35 C -4.7244 -1.4618 1.2002 C.2 1 UNL1 -0.3132 36 C -6.8749 -1.2851 -0.0016 C.ar 1 UNL1 -0.0509 37 C -5.6509 -0.7303 0.5669 C.2 1 UNL1 -0.0543 38 C -8.0047 -0.4527 -0.0846 C.ar 1 UNL1 -0.2067 39 C -6.9395 -2.6029 -0.4564 C.ar 1 UNL1 -0.1206 40 C -9.1821 -0.9572 -0.6089 C.ar 1 UNL1 0.0960 41 C -9.2418 -2.2953 -1.0620 C.ar 1 UNL1 0.2157 42 C -8.1224 -3.1167 -0.9872 C.ar 1 UNL1 -0.2121 43 C -10.3026 1.1268 -0.6614 C.3 1 UNL1 -0.1859 44 H 2.7743 -0.2774 -0.6532 H 1 UNL1 0.1613 45 H 5.2166 0.6953 -2.3148 H 1 UNL1 0.1589 46 H -2.0261 3.7492 0.5168 H 1 UNL1 0.1700 47 H -1.2632 0.8075 1.2113 H 1 UNL1 0.1919 48 H -4.8057 -2.5422 1.3281 H 1 UNL1 0.1822 49 H -5.5347 0.3574 0.4514 H 1 UNL1 0.1715 50 H 4.4341 2.5604 -0.9995 H 1 UNL1 0.3399 51 H -11.1029 -2.1756 -1.6234 H 1 UNL1 0.3392 52 H 3.2259 1.9964 -2.7373 H 1 UNL1 0.1511 53 H 0.9379 -0.0612 -2.4818 H 1 UNL1 0.1527 54 H 2.0786 0.1281 -3.8128 H 1 UNL1 0.1516 55 H 0.8846 1.3963 -3.4917 H 1 UNL1 0.1494 56 H -0.0424 1.3510 -1.1389 H 1 UNL1 0.1707 57 H 0.3198 4.7305 1.5090 H 1 UNL1 0.1767 58 H 4.2546 -0.8170 0.9328 H 1 UNL1 0.1712 59 H 8.1630 -2.9319 -1.3139 H 1 UNL1 0.1856 60 H 4.3121 6.2617 1.5194 H 1 UNL1 0.1414 61 H 4.2866 5.6238 -0.1696 H 1 UNL1 0.1462 62 H 4.6992 4.5263 1.2036 H 1 UNL1 0.1426 63 H -4.6192 0.5882 2.9021 H 1 UNL1 0.1909 64 H -2.9049 0.4756 3.3320 H 1 UNL1 0.1946 65 H 7.8797 -0.9893 -4.3695 H 1 UNL1 0.1494 66 H 7.7865 -2.6143 -3.5976 H 1 UNL1 0.1368 67 H 8.8408 -1.3288 -2.8835 H 1 UNL1 0.1360 68 H 4.6816 -2.4765 4.0926 H 1 UNL1 0.1459 69 H 3.6425 -2.0505 2.6869 H 1 UNL1 0.1367 70 H 4.9573 -0.9263 3.2199 H 1 UNL1 0.1352 71 H 8.2814 -5.1220 2.3220 H 1 UNL1 0.1447 72 H 6.5050 -4.8160 2.2381 H 1 UNL1 0.1450 73 H 7.5993 -3.5968 3.0047 H 1 UNL1 0.1433 74 H -7.9457 0.5736 0.2717 H 1 UNL1 0.1696 75 H -6.0570 -3.2415 -0.4082 H 1 UNL1 0.1629 76 H -8.1829 -4.1432 -1.3450 H 1 UNL1 0.1797 77 H -11.3263 1.4180 -0.9332 H 1 UNL1 0.1514 78 H -9.5844 1.5196 -1.3880 H 1 UNL1 0.1385 79 H -10.0669 1.4578 0.3554 H 1 UNL1 0.1364 @BOND 1 65 31 1 2 54 12 1 3 66 31 1 4 55 12 1 5 31 67 1 6 31 3 1 7 12 53 1 8 12 10 1 9 52 10 1 10 3 22 1 11 45 19 1 12 10 13 1 13 10 11 1 14 51 9 1 15 9 41 1 16 19 13 2 17 19 20 1 18 22 20 ar 19 22 25 ar 20 78 43 1 21 13 44 1 22 76 42 1 23 59 25 1 24 56 15 1 25 11 15 ar 26 11 14 ar 27 41 42 ar 28 41 40 ar 29 50 1 1 30 42 39 ar 31 77 43 1 32 20 23 ar 33 25 26 ar 34 1 14 1 35 8 43 1 36 8 40 1 37 15 16 ar 38 43 79 1 39 40 38 ar 40 39 75 1 41 39 36 ar 42 14 17 ar 43 61 28 1 44 38 36 ar 45 38 74 1 46 36 37 1 47 16 21 1 48 16 18 ar 49 23 58 1 50 23 24 ar 51 49 37 1 52 26 5 1 53 26 24 ar 54 17 18 ar 55 17 2 1 56 46 21 1 57 37 35 2 58 21 27 2 59 18 57 1 60 28 2 1 61 28 62 1 62 28 60 1 63 5 34 1 64 27 47 1 65 27 29 1 66 24 4 1 67 6 29 2 68 35 48 1 69 35 32 1 70 29 30 1 71 7 32 2 72 32 30 1 73 34 72 1 74 34 71 1 75 34 73 1 76 4 33 1 77 30 63 1 78 30 64 1 79 69 33 1 80 33 70 1 81 33 68 1