@MOLECULE (6s)-6-(3-butyryl-2,6-dihydroxy-4-methoxy-5-methylbenzyl)-3,5-dihydroxy-4,6-dimethyl-2-[(2r)-2-methylbutanoyl]-2,4-cyclohexadien-1-one 68 69 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C 0.9654 2.0126 -1.5449 C.3 1 UNL1 -0.0923 2 C 3.7071 -0.8978 1.6883 C.3 1 UNL1 -0.1721 3 C -0.0749 1.3137 -2.4567 C.3 1 UNL1 -0.2230 4 C 4.2840 -2.2722 1.3091 C.3 1 UNL1 -0.2504 5 C -4.0995 0.7011 0.9462 C.3 1 UNL1 -0.3640 6 C -5.2152 0.6140 1.9942 C.3 1 UNL1 -0.2334 7 C 1.6543 3.1634 -2.2856 C.3 1 UNL1 -0.4405 8 C -0.1909 2.8175 2.1039 C.3 1 UNL1 -0.4091 9 C 4.6153 -0.1553 2.6735 C.3 1 UNL1 -0.4353 10 C -0.2060 -3.6328 -1.6742 C.3 1 UNL1 -0.3950 11 C 4.3026 -3.2288 2.5004 C.3 1 UNL1 -0.4378 12 C -3.5547 -3.7060 -0.1602 C.3 1 UNL1 -0.1678 13 C -5.8701 1.9737 2.2278 C.3 1 UNL1 -0.4420 14 H -1.0703 3.9336 0.0878 H 1 UNL1 0.3456 15 H 1.4083 1.4501 3.1456 H 1 UNL1 0.3385 16 H -1.9478 2.2067 -1.2144 H 1 UNL1 0.3491 17 H 1.4588 -0.7195 -2.9256 H 1 UNL1 0.3723 18 C -0.7166 0.1348 -1.8101 C.ar 1 UNL1 -0.3688 19 C -1.8313 0.2550 -0.9749 C.ar 1 UNL1 0.3969 20 C -0.2329 -1.1688 -2.0408 C.ar 1 UNL1 0.3860 21 C -2.4160 -0.8275 -0.2878 C.ar 1 UNL1 -0.4096 22 C -0.7868 -2.2903 -1.4147 C.ar 1 UNL1 -0.2122 23 C -1.8660 -2.0999 -0.5411 C.ar 1 UNL1 0.3631 24 O 2.5623 0.3711 -2.1063 O.2 1 UNL1 -0.4750 25 O 4.5299 -0.0458 -0.3668 O.2 1 UNL1 -0.4330 26 O -3.9325 -1.6079 1.3200 O.2 1 UNL1 -0.4918 27 O -0.6413 3.4837 -0.6954 O.2 1 UNL1 -0.4797 28 O 2.0121 1.0580 2.4619 O.2 1 UNL1 -0.4346 29 O -2.4195 1.4546 -0.7728 O.3 1 UNL1 -0.5030 30 O 0.7481 -1.4296 -2.9225 O.3 1 UNL1 -0.4783 31 C 3.6270 -0.0427 0.4321 C.2 1 UNL1 0.5052 32 C -3.4968 -0.6629 0.6980 C.2 1 UNL1 0.5195 33 O -2.2447 -3.2165 0.1352 O.3 1 UNL1 -0.3339 34 C 0.2972 2.5811 -0.3333 C.2 1 UNL1 0.3512 35 C 2.0659 0.9868 -1.1886 C.2 1 UNL1 0.5363 36 C 2.4283 0.7966 0.2040 C.2 1 UNL1 -0.4762 37 C 0.5762 2.2669 0.9559 C.2 1 UNL1 -0.3186 38 C 1.6766 1.3565 1.1976 C.2 1 UNL1 0.4506 39 H -0.8300 2.0552 -2.7976 H 1 UNL1 0.1532 40 H 0.4350 1.0102 -3.4038 H 1 UNL1 0.1766 41 H 0.9377 3.9308 -2.6032 H 1 UNL1 0.1611 42 H 2.4097 3.6523 -1.6565 H 1 UNL1 0.1603 43 H 2.1758 2.8023 -3.1857 H 1 UNL1 0.1773 44 H 2.6959 -1.0458 2.1361 H 1 UNL1 0.1604 45 H -0.7954 2.0308 2.5920 H 1 UNL1 0.1731 46 H 0.4603 3.2743 2.8662 H 1 UNL1 0.1558 47 H -0.9030 3.6024 1.8191 H 1 UNL1 0.1417 48 H 3.6897 -2.7093 0.4828 H 1 UNL1 0.1442 49 H 5.3078 -2.1497 0.9007 H 1 UNL1 0.1529 50 H 4.2534 0.8587 2.8768 H 1 UNL1 0.1449 51 H 4.6722 -0.6806 3.6325 H 1 UNL1 0.1448 52 H 5.6358 -0.0668 2.2806 H 1 UNL1 0.1537 53 H 0.8630 -3.6583 -1.4062 H 1 UNL1 0.1619 54 H -0.7057 -4.4295 -1.1071 H 1 UNL1 0.1576 55 H -0.2654 -3.8931 -2.7425 H 1 UNL1 0.1544 56 H 4.9912 -2.8852 3.2798 H 1 UNL1 0.1389 57 H 3.3113 -3.3281 2.9557 H 1 UNL1 0.1422 58 H 4.6280 -4.2301 2.1948 H 1 UNL1 0.1404 59 H -4.4988 1.1094 -0.0069 H 1 UNL1 0.1748 60 H -3.3169 1.4111 1.2755 H 1 UNL1 0.1611 61 H -5.9731 -0.1288 1.6714 H 1 UNL1 0.1491 62 H -4.8070 0.2126 2.9424 H 1 UNL1 0.1454 63 H -4.2103 -2.9694 -0.6353 H 1 UNL1 0.1377 64 H -3.4039 -4.5799 -0.8040 H 1 UNL1 0.1245 65 H -3.9610 -3.9858 0.8202 H 1 UNL1 0.1587 66 H -6.6731 1.9007 2.9709 H 1 UNL1 0.1412 67 H -5.1499 2.7120 2.5935 H 1 UNL1 0.1343 68 H -6.3126 2.3691 1.3067 H 1 UNL1 0.1410 @BOND 1 40 3 1 2 43 7 1 3 17 30 1 4 30 20 1 5 39 3 1 6 55 10 1 7 41 7 1 8 3 18 1 9 3 1 1 10 7 42 1 11 7 1 1 12 24 35 2 13 20 18 ar 14 20 22 ar 15 18 19 ar 16 10 22 1 17 10 53 1 18 10 54 1 19 1 35 1 20 1 34 1 21 22 23 ar 22 16 29 1 23 35 36 1 24 19 29 1 25 19 21 ar 26 64 12 1 27 27 34 1 28 27 14 1 29 63 12 1 30 23 21 ar 31 23 33 1 32 25 31 2 33 34 37 2 34 21 32 1 35 12 33 1 36 12 65 1 37 59 5 1 38 36 31 1 39 36 38 2 40 31 2 1 41 48 4 1 42 32 5 1 43 32 26 2 44 49 4 1 45 5 60 1 46 5 6 1 47 37 38 1 48 37 8 1 49 38 28 1 50 68 13 1 51 4 2 1 52 4 11 1 53 61 6 1 54 2 44 1 55 2 9 1 56 47 8 1 57 6 13 1 58 6 62 1 59 8 45 1 60 8 46 1 61 58 11 1 62 13 67 1 63 13 66 1 64 52 9 1 65 28 15 1 66 11 57 1 67 11 56 1 68 9 50 1 69 9 51 1