@MOLECULE 2-[(3s,4r,5s,6s,7e,9e,11e)-4,6-dimethoxy-3,5,11-trimethyl-7,9,11-tridecatrien-1-yl]-8-hydroxy-5,7-dimethoxy-3-methyl-4h-chromen-4-one 79 80 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O -4.6411 -1.1773 1.7786 O.3 1 UNL1 -0.4029 2 O -4.5821 1.9204 -0.9474 O.3 1 UNL1 -0.3905 3 O 0.3507 -1.7982 -1.0355 O.2 1 UNL1 -0.2150 4 O 2.7593 -4.6271 0.4818 O.2 1 UNL1 -0.4948 5 O 4.7099 -2.3905 1.1204 O.3 1 UNL1 -0.3094 6 O 1.1097 0.5461 -1.8128 O.3 1 UNL1 -0.4216 7 O 3.6568 1.4121 -1.4242 O.3 1 UNL1 -0.3303 8 C -4.4588 -0.5796 0.4941 C.3 1 UNL1 0.0838 9 C -3.7920 -1.6725 -0.3846 C.3 1 UNL1 -0.1346 10 C -3.6234 0.6834 0.8031 C.3 1 UNL1 -0.1306 11 C -2.2815 -1.7475 -0.1341 C.3 1 UNL1 -0.2668 12 C -3.3115 1.4627 -0.4945 C.3 1 UNL1 0.0786 13 C -4.1242 -1.4625 -1.8638 C.3 1 UNL1 -0.4536 14 C -1.6353 -2.9539 -0.8318 C.3 1 UNL1 -0.2889 15 C -4.3915 1.5721 1.7863 C.3 1 UNL1 -0.4391 16 C -0.1745 -2.9635 -0.5355 C.ar 1 UNL1 0.2385 17 C -2.4061 2.6210 -0.2070 C.2 1 UNL1 -0.1971 18 C -5.9270 -1.7246 1.9810 C.3 1 UNL1 -0.1960 19 C 0.5681 -3.9026 0.0765 C.ar 1 UNL1 -0.2578 20 C -1.0735 2.4942 -0.1704 C.2 1 UNL1 -0.1601 21 C -4.5531 2.4284 -2.2671 C.3 1 UNL1 -0.2014 22 C 2.0187 -3.7005 0.2327 C.ar 1 UNL1 0.5216 23 C 1.6299 -1.4727 -0.7009 C.ar 1 UNL1 0.2549 24 C 2.4899 -2.3291 0.0126 C.ar 1 UNL1 -0.4076 25 C 0.0021 -5.1727 0.5970 C.3 1 UNL1 -0.4065 26 C 2.0312 -0.2120 -1.1505 C.ar 1 UNL1 0.0046 27 C 3.7570 -1.8289 0.3560 C.ar 1 UNL1 0.3822 28 C -0.2059 3.6145 0.1547 C.2 1 UNL1 -0.1568 29 C 3.3516 0.2019 -0.8904 C.ar 1 UNL1 0.2535 30 C 4.2023 -0.5802 -0.1256 C.ar 1 UNL1 -0.4131 31 C 1.1183 3.4775 0.3292 C.2 1 UNL1 -0.1587 32 C 1.9843 4.6047 0.6714 C.2 1 UNL1 -0.0118 33 C 4.3722 -3.3700 2.0961 C.3 1 UNL1 -0.1832 34 C 5.0345 1.7742 -1.4306 C.3 1 UNL1 -0.1857 35 C 3.2647 4.6917 -0.0926 C.3 1 UNL1 -0.4473 36 C 1.6384 5.4984 1.6124 C.2 1 UNL1 -0.1646 37 C 2.4806 6.6634 1.9953 C.3 1 UNL1 -0.4383 38 H -5.4326 -0.2750 0.0531 H 1 UNL1 0.1327 39 H -4.2425 -2.6487 -0.0642 H 1 UNL1 0.1447 40 H -2.6586 0.3828 1.2801 H 1 UNL1 0.1573 41 H -1.7837 -0.8176 -0.4773 H 1 UNL1 0.1583 42 H -2.0993 -1.8096 0.9598 H 1 UNL1 0.1574 43 H -2.8745 0.7904 -1.2707 H 1 UNL1 0.1335 44 H -3.8792 -2.3495 -2.4576 H 1 UNL1 0.1420 45 H -5.1909 -1.2576 -2.0111 H 1 UNL1 0.1444 46 H -3.5713 -0.6192 -2.2944 H 1 UNL1 0.1507 47 H -1.7992 -2.8946 -1.9305 H 1 UNL1 0.1691 48 H -2.1132 -3.8981 -0.5024 H 1 UNL1 0.1624 49 H -5.3144 1.9609 1.3398 H 1 UNL1 0.1527 50 H -4.6663 1.0117 2.6891 H 1 UNL1 0.1560 51 H -3.7880 2.4320 2.0973 H 1 UNL1 0.1454 52 H -2.9196 3.5604 -0.0126 H 1 UNL1 0.1600 53 H -6.6905 -0.9401 1.9568 H 1 UNL1 0.1220 54 H -6.1485 -2.5050 1.2472 H 1 UNL1 0.1159 55 H -5.8579 -2.1573 2.9870 H 1 UNL1 0.1427 56 H -0.5790 1.5387 -0.3736 H 1 UNL1 0.1685 57 H -3.8647 3.2757 -2.3501 H 1 UNL1 0.1270 58 H -5.5860 2.7588 -2.4295 H 1 UNL1 0.1402 59 H -4.2873 1.6436 -2.9821 H 1 UNL1 0.1187 60 H -0.6137 -5.0049 1.4925 H 1 UNL1 0.1528 61 H -0.6165 -5.6916 -0.1476 H 1 UNL1 0.1469 62 H 0.7986 -5.8820 0.8865 H 1 UNL1 0.1758 63 H -0.6887 4.5884 0.2559 H 1 UNL1 0.1485 64 H 5.2047 -0.2538 0.1353 H 1 UNL1 0.1900 65 H 1.6194 2.5129 0.2169 H 1 UNL1 0.1616 66 H 1.5446 1.3571 -2.1849 H 1 UNL1 0.3280 67 H 5.1051 -3.1688 2.8880 H 1 UNL1 0.1382 68 H 3.3529 -3.2661 2.4734 H 1 UNL1 0.1403 69 H 4.5325 -4.3651 1.6566 H 1 UNL1 0.1690 70 H 5.0357 2.6720 -2.0633 H 1 UNL1 0.1506 71 H 5.6510 0.9888 -1.8806 H 1 UNL1 0.1427 72 H 5.3666 2.0090 -0.4136 H 1 UNL1 0.1401 73 H 3.2492 5.5481 -0.7826 H 1 UNL1 0.1543 74 H 4.1250 4.8273 0.5768 H 1 UNL1 0.1510 75 H 3.4529 3.7929 -0.6947 H 1 UNL1 0.1547 76 H 0.7019 5.4026 2.1598 H 1 UNL1 0.1493 77 H 2.8168 7.2304 1.1151 H 1 UNL1 0.1512 78 H 3.3835 6.3404 2.5351 H 1 UNL1 0.1534 79 H 1.9456 7.3653 2.6481 H 1 UNL1 0.1469 @BOND 1 59 21 1 2 44 13 1 3 58 21 1 4 57 21 1 5 46 13 1 6 21 2 1 7 66 6 1 8 70 34 1 9 45 13 1 10 47 14 1 11 71 34 1 12 13 9 1 13 6 26 1 14 34 7 1 15 34 72 1 16 7 29 1 17 43 12 1 18 26 29 ar 19 26 23 ar 20 3 23 ar 21 3 16 ar 22 2 12 1 23 29 30 ar 24 14 16 1 25 14 48 1 26 14 11 1 27 73 35 1 28 23 24 ar 29 75 35 1 30 16 19 ar 31 12 17 1 32 12 10 1 33 41 11 1 34 9 11 1 35 9 39 1 36 9 8 1 37 56 20 1 38 17 20 2 39 17 52 1 40 20 28 1 41 61 25 1 42 11 42 1 43 30 64 1 44 30 27 ar 45 35 74 1 46 35 32 1 47 24 22 ar 48 24 27 ar 49 38 8 1 50 19 22 ar 51 19 25 1 52 28 63 1 53 28 31 2 54 65 31 1 55 22 4 2 56 31 32 1 57 27 5 1 58 8 10 1 59 8 1 1 60 25 62 1 61 25 60 1 62 32 36 2 63 10 40 1 64 10 15 1 65 77 37 1 66 5 33 1 67 54 18 1 68 49 15 1 69 36 37 1 70 36 76 1 71 69 33 1 72 1 18 1 73 15 51 1 74 15 50 1 75 53 18 1 76 18 55 1 77 37 78 1 78 37 79 1 79 33 68 1 80 33 67 1