@MOLECULE 2-[(3r,4r,5s,6r,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 -1.9432 0.9421 0.1675 O.3 1 UNL1 -0.4103 2 O -5.5399 3.1494 -0.0178 O.3 1 UNL1 -0.3875 3 O 2.7995 0.1669 -0.9445 O.2 1 UNL1 -0.2931 4 O 6.1472 1.8002 0.7042 O.2 1 UNL1 -0.4509 5 O 7.0518 -0.5482 1.0165 O.3 1 UNL1 -0.2133 6 O 2.3976 -2.4886 -1.2195 O.3 1 UNL1 -0.4533 7 O 4.4856 -4.2661 -0.3486 O.3 1 UNL1 -0.2912 8 C -1.8783 2.3441 0.3961 C.3 1 UNL1 0.0904 9 C -0.5494 2.8691 -0.2198 C.3 1 UNL1 -0.1213 10 C -3.1249 2.9177 -0.3240 C.3 1 UNL1 -0.1802 11 C 0.4870 1.7421 -0.3541 C.3 1 UNL1 -0.2608 12 C -4.4123 2.3652 0.3358 C.3 1 UNL1 0.0963 13 C 0.0096 3.9919 0.6637 C.3 1 UNL1 -0.4570 14 C 1.6661 2.1523 -1.2540 C.3 1 UNL1 -0.3012 15 C -3.1388 4.4441 -0.2425 C.3 1 UNL1 -0.4467 16 C 2.9221 1.5242 -0.7564 C.ar 1 UNL1 0.2455 17 C -4.6591 0.9171 0.0327 C.2 1 UNL1 -0.1861 18 C -1.8342 0.1500 1.3343 C.3 1 UNL1 -0.1919 19 C 4.0018 2.1067 -0.2087 C.ar 1 UNL1 -0.2396 20 C -5.6380 0.2371 0.6455 C.2 1 UNL1 -0.1594 21 C -6.0135 2.9833 -1.3406 C.3 1 UNL1 -0.2010 22 C 5.1531 1.2927 0.2377 C.ar 1 UNL1 0.5113 23 C 3.8042 -0.6414 -0.5010 C.ar 1 UNL1 0.2470 24 C 4.9782 -0.1516 0.0733 C.ar 1 UNL1 -0.3817 25 C 4.1106 3.5768 -0.0249 C.3 1 UNL1 -0.4098 26 C 3.5532 -2.0085 -0.6641 C.ar 1 UNL1 -0.0416 27 C 5.9488 -1.0978 0.4756 C.ar 1 UNL1 0.3470 28 C -5.9230 -1.1545 0.3351 C.2 1 UNL1 -0.1620 29 C 4.5386 -2.9230 -0.2600 C.ar 1 UNL1 0.3170 30 C 5.7375 -2.4653 0.3092 C.ar 1 UNL1 -0.4397 31 C -6.9332 -1.8293 0.9072 C.2 1 UNL1 -0.1561 32 C -7.2450 -3.2208 0.5821 C.2 1 UNL1 -0.0117 33 C 8.0805 -1.4381 1.4423 C.3 1 UNL1 -0.2275 34 C 3.3276 -4.8550 -0.9353 C.3 1 UNL1 -0.1900 35 C -7.5691 -4.0913 1.7513 C.3 1 UNL1 -0.4436 36 C -7.2637 -3.6545 -0.6888 C.2 1 UNL1 -0.1624 37 C -7.5931 -5.0492 -1.0870 C.3 1 UNL1 -0.4384 38 H -4.0085 0.4635 -0.7136 H 1 UNL1 0.1676 39 H -6.2771 0.7136 1.3919 H 1 UNL1 0.1552 40 H -5.2694 -1.6313 -0.3983 H 1 UNL1 0.1532 41 H -7.5809 -1.3709 1.6560 H 1 UNL1 0.1531 42 H -7.0387 -2.9782 -1.5126 H 1 UNL1 0.1480 43 H 1.7333 -1.7576 -1.3015 H 1 UNL1 0.3306 44 H -1.9203 2.5713 1.4811 H 1 UNL1 0.1235 45 H -0.7639 3.2701 -1.2384 H 1 UNL1 0.1398 46 H -3.0960 2.5979 -1.3913 H 1 UNL1 0.1508 47 H 0.0107 0.8324 -0.7762 H 1 UNL1 0.1647 48 H 0.8464 1.4447 0.6493 H 1 UNL1 0.1481 49 H -4.3857 2.5541 1.4387 H 1 UNL1 0.1434 50 H 0.3351 3.6124 1.6394 H 1 UNL1 0.1482 51 H -0.7325 4.7761 0.8462 H 1 UNL1 0.1464 52 H 0.8775 4.4723 0.1987 H 1 UNL1 0.1440 53 H 1.7803 3.2561 -1.2880 H 1 UNL1 0.1703 54 H 1.4670 1.8493 -2.3044 H 1 UNL1 0.1656 55 H -3.0773 4.7957 0.7934 H 1 UNL1 0.1458 56 H -4.0750 4.8510 -0.6522 H 1 UNL1 0.1652 57 H -2.3173 4.8929 -0.8096 H 1 UNL1 0.1423 58 H -1.8695 -0.8745 0.9412 H 1 UNL1 0.1467 59 H -2.6846 0.3247 2.0018 H 1 UNL1 0.1254 60 H -0.8860 0.3292 1.8492 H 1 UNL1 0.1222 61 H -6.8436 3.6985 -1.3922 H 1 UNL1 0.1406 62 H -6.3815 1.9635 -1.4971 H 1 UNL1 0.1311 63 H -5.2438 3.2336 -2.0751 H 1 UNL1 0.1207 64 H 4.2210 4.0984 -0.9863 H 1 UNL1 0.1511 65 H 5.0001 3.8432 0.5762 H 1 UNL1 0.1810 66 H 3.2409 3.9969 0.4977 H 1 UNL1 0.1463 67 H 6.4781 -3.2000 0.6088 H 1 UNL1 0.1908 68 H 8.8308 -0.7354 1.8328 H 1 UNL1 0.1591 69 H 8.4884 -2.0014 0.5980 H 1 UNL1 0.1385 70 H 7.7269 -2.0999 2.2380 H 1 UNL1 0.1376 71 H 3.5721 -5.9237 -0.8970 H 1 UNL1 0.1430 72 H 3.2012 -4.5175 -1.9702 H 1 UNL1 0.1503 73 H 2.4363 -4.6329 -0.3387 H 1 UNL1 0.1476 74 H -7.1606 -3.6971 2.6913 H 1 UNL1 0.1521 75 H -7.1668 -5.1066 1.6292 H 1 UNL1 0.1539 76 H -8.6575 -4.1849 1.8795 H 1 UNL1 0.1563 77 H -8.5852 -5.3498 -0.7186 H 1 UNL1 0.1545 78 H -6.8657 -5.7668 -0.6783 H 1 UNL1 0.1537 79 H -7.5995 -5.1803 -2.1768 H 1 UNL1 0.1467 @BOND 1 54 14 1 2 79 37 1 3 63 21 1 4 72 34 1 5 42 36 1 6 62 21 1 7 61 21 1 8 46 10 1 9 21 2 1 10 43 6 1 11 53 14 1 12 14 16 1 13 14 11 1 14 45 9 1 15 6 26 1 16 37 77 1 17 37 36 1 18 37 78 1 19 64 25 1 20 3 16 ar 21 3 23 ar 22 34 71 1 23 34 7 1 24 34 73 1 25 57 15 1 26 47 11 1 27 16 19 ar 28 38 17 1 29 36 32 2 30 26 23 ar 31 26 29 ar 32 56 15 1 33 23 24 ar 34 40 28 1 35 11 9 1 36 11 48 1 37 7 29 1 38 10 15 1 39 10 12 1 40 10 8 1 41 29 30 ar 42 15 55 1 43 9 8 1 44 9 13 1 45 19 25 1 46 19 22 ar 47 25 66 1 48 25 65 1 49 2 12 1 50 17 12 1 51 17 20 2 52 24 22 ar 53 24 27 ar 54 1 8 1 55 1 18 1 56 52 13 1 57 22 4 2 58 30 27 ar 59 30 67 1 60 28 20 1 61 28 31 2 62 12 49 1 63 8 44 1 64 27 5 1 65 32 31 1 66 32 35 1 67 69 33 1 68 20 39 1 69 13 51 1 70 13 50 1 71 31 41 1 72 58 18 1 73 5 33 1 74 18 60 1 75 18 59 1 76 33 68 1 77 33 70 1 78 75 35 1 79 35 76 1 80 35 74 1