@MOLECULE (2r,4ar,9ar)-7-{(e)-2-[3,5-dihydroxy-4-(3-methyl-2-buten-1-yl)phenyl]vinyl}-1,1,4a-trimethyl-2,3,4,4a,9,9a-hexahydro-1h-xanthene-2,5-diol 70 73 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C -5.1619 -0.5194 0.3019 C.3 1 UNL1 -0.1940 2 C -5.2956 0.7195 -0.6101 C.3 1 UNL1 0.3017 3 C -7.6474 -0.7102 0.4295 C.3 1 UNL1 0.1308 4 C -1.3810 -0.4632 0.3532 C.ar 1 UNL1 -0.2056 5 C -0.7358 1.8759 0.2963 C.ar 1 UNL1 -0.2273 6 C 4.3950 1.2881 0.5690 C.ar 1 UNL1 -0.3859 7 C 3.7635 -1.0175 0.1764 C.ar 1 UNL1 -0.3232 8 C 7.5381 -0.8767 0.8205 C.3 1 UNL1 -0.2387 9 C -6.4009 -2.2706 -1.1323 C.3 1 UNL1 -0.4511 10 C -6.2249 -2.5491 1.3346 C.3 1 UNL1 -0.4641 11 C -5.0283 0.5253 -2.0978 C.3 1 UNL1 -0.4940 12 C 9.9211 0.6002 -0.3038 C.3 1 UNL1 -0.4610 13 C 9.7089 -0.7901 -2.3991 C.3 1 UNL1 -0.4587 14 H -9.5641 -1.2121 0.3119 H 1 UNL1 0.3105 15 H -3.3237 3.6735 -0.1947 H 1 UNL1 0.3378 16 H 6.2943 -2.9450 0.3607 H 1 UNL1 0.3342 17 H 6.3601 2.6809 1.1209 H 1 UNL1 0.3284 18 C -2.0673 2.2183 0.0916 C.ar 1 UNL1 0.2112 19 C -0.3944 0.5242 0.4204 C.ar 1 UNL1 0.0116 20 C 3.4192 0.3286 0.2764 C.ar 1 UNL1 0.1283 21 C 5.0990 -1.3907 0.3676 C.ar 1 UNL1 0.3309 22 C 5.7131 0.8705 0.7585 C.ar 1 UNL1 0.3375 23 C 6.1101 -0.4694 0.6612 C.ar 1 UNL1 -0.2413 24 C -6.6256 1.4509 -0.3528 C.3 1 UNL1 -0.3119 25 C -7.8004 0.4905 -0.5149 C.3 1 UNL1 -0.3291 26 C -3.7856 -1.1647 0.0865 C.3 1 UNL1 -0.2744 27 O -8.6953 -1.6356 0.1890 O.3 1 UNL1 -0.5621 28 O -2.3533 3.5402 -0.0302 O.3 1 UNL1 -0.4557 29 O 5.3356 -2.7197 0.2492 O.3 1 UNL1 -0.4713 30 O 6.7005 1.7556 1.0570 O.3 1 UNL1 -0.4757 31 C 9.1912 -0.4789 -1.0317 C.2 1 UNL1 0.0769 32 C -2.7193 -0.1205 0.1544 C.ar 1 UNL1 -0.0443 33 C -3.0608 1.2240 0.0207 C.ar 1 UNL1 0.0872 34 C 0.9951 0.1220 0.6264 C.2 1 UNL1 -0.1278 35 C 2.0353 0.7542 0.0649 C.2 1 UNL1 -0.1722 36 C 8.1411 -1.1387 -0.5254 C.2 1 UNL1 -0.2468 37 O -4.3306 1.6899 -0.1359 O.3 1 UNL1 -0.4042 38 C -6.3375 -1.5174 0.1966 C.3 1 UNL1 0.0800 39 H -5.1729 -0.1213 1.3565 H 1 UNL1 0.1609 40 H -7.7176 -0.3855 1.4920 H 1 UNL1 0.1152 41 H -6.6154 1.8908 0.6649 H 1 UNL1 0.1588 42 H -6.7260 2.3103 -1.0420 H 1 UNL1 0.1552 43 H -7.8787 0.1344 -1.5606 H 1 UNL1 0.1584 44 H -8.7518 1.0159 -0.3116 H 1 UNL1 0.1415 45 H -3.6121 -1.9483 0.8532 H 1 UNL1 0.1592 46 H -3.7431 -1.6927 -0.8892 H 1 UNL1 0.1604 47 H -5.4931 -2.8532 -1.3148 H 1 UNL1 0.1416 48 H -7.2505 -2.9707 -1.1339 H 1 UNL1 0.1667 49 H -6.5507 -1.6004 -1.9836 H 1 UNL1 0.1441 50 H -6.0886 -2.0750 2.3110 H 1 UNL1 0.1423 51 H -7.1402 -3.1555 1.3891 H 1 UNL1 0.1649 52 H -5.3888 -3.2363 1.1748 H 1 UNL1 0.1456 53 H -4.1110 -0.0475 -2.2798 H 1 UNL1 0.1638 54 H -5.8526 0.0053 -2.5976 H 1 UNL1 0.1596 55 H -4.8982 1.4962 -2.5952 H 1 UNL1 0.1627 56 H -1.1058 -1.5108 0.4537 H 1 UNL1 0.1607 57 H 0.0164 2.6590 0.3625 H 1 UNL1 0.1795 58 H 1.1408 -0.7478 1.2734 H 1 UNL1 0.1603 59 H 1.9068 1.6232 -0.5840 H 1 UNL1 0.1661 60 H 4.1262 2.3341 0.6501 H 1 UNL1 0.1685 61 H 3.0238 -1.7769 -0.0595 H 1 UNL1 0.1824 62 H 8.1016 -0.0906 1.3747 H 1 UNL1 0.1718 63 H 7.6298 -1.7776 1.4666 H 1 UNL1 0.1403 64 H 7.6329 -1.9069 -1.1044 H 1 UNL1 0.1444 65 H 10.4824 0.1951 0.5499 H 1 UNL1 0.1560 66 H 10.6382 1.1328 -0.9397 H 1 UNL1 0.1488 67 H 9.2229 1.3558 0.0933 H 1 UNL1 0.1695 68 H 9.5910 0.0764 -3.0666 H 1 UNL1 0.1580 69 H 10.7777 -1.0423 -2.3739 H 1 UNL1 0.1538 70 H 9.1876 -1.6325 -2.8720 H 1 UNL1 0.1521 @BOND 1 68 13 1 2 70 13 1 3 54 11 1 4 55 11 1 5 13 69 1 6 13 31 1 7 53 11 1 8 11 2 1 9 49 9 1 10 43 25 1 11 47 9 1 12 48 9 1 13 9 38 1 14 64 36 1 15 42 24 1 16 31 36 2 17 31 12 1 18 66 12 1 19 46 26 1 20 2 24 1 21 2 37 1 22 2 1 1 23 59 35 1 24 36 8 1 25 25 24 1 26 25 44 1 27 25 3 1 28 24 41 1 29 12 67 1 30 12 65 1 31 15 28 1 32 37 33 1 33 61 7 1 34 28 18 1 35 33 18 ar 36 33 32 ar 37 35 20 1 38 35 34 2 39 26 32 1 40 26 1 1 41 26 45 1 42 18 5 ar 43 32 4 ar 44 7 20 ar 45 7 21 ar 46 27 14 1 47 27 3 1 48 38 1 1 49 38 3 1 50 38 10 1 51 29 16 1 52 29 21 1 53 20 6 ar 54 5 57 1 55 5 19 ar 56 1 39 1 57 4 19 ar 58 4 56 1 59 21 23 ar 60 19 34 1 61 3 40 1 62 6 60 1 63 6 22 ar 64 34 58 1 65 23 22 ar 66 23 8 1 67 22 30 1 68 8 62 1 69 8 63 1 70 30 17 1 71 52 10 1 72 10 51 1 73 10 50 1