@MOLECULE 1-[(2z)-3,7-dimethyl-2,6-octadien-1-yl]-3,6,8-trihydroxy-2-methoxy-9h-xanthen-9-one 56 58 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O -2.9880 -1.7489 0.3377 O.2 1 UNL1 -0.2575 2 O 2.4966 -1.6187 0.2480 O.3 1 UNL1 -0.2873 3 O -1.2672 1.8176 -0.7124 O.2 1 UNL1 -0.5463 4 O 1.1539 -3.9219 0.7539 O.3 1 UNL1 -0.4316 5 O -3.6449 2.8336 -0.9729 O.3 1 UNL1 -0.4630 6 O -7.2787 -0.0572 -0.1020 O.3 1 UNL1 -0.4527 7 C 0.4565 -0.4504 -0.0783 C.ar 1 UNL1 0.1681 8 C -0.9550 -0.4412 -0.0591 C.ar 1 UNL1 -0.3350 9 C 1.2627 0.7773 -0.3586 C.3 1 UNL1 -0.2850 10 C -1.6250 -1.6243 0.2747 C.ar 1 UNL1 0.3249 11 C 1.1285 -1.6458 0.1869 C.ar 1 UNL1 -0.0133 12 C -1.7518 0.7408 -0.3856 C.ar 1 UNL1 0.5714 13 C -3.1938 0.5685 -0.3254 C.ar 1 UNL1 -0.4967 14 C 1.2715 1.6532 0.8571 C.2 1 UNL1 -0.2050 15 C 2.3209 1.8323 1.6692 C.2 1 UNL1 0.0382 16 C 3.6471 1.1612 1.4911 C.3 1 UNL1 -0.2931 17 C -3.7549 -0.6641 0.0323 C.ar 1 UNL1 0.3857 18 C -0.9739 -2.8219 0.5747 C.ar 1 UNL1 -0.4180 19 C 0.4168 -2.8178 0.5173 C.ar 1 UNL1 0.3212 20 C 4.5031 1.9187 0.4571 C.3 1 UNL1 -0.2568 21 C -4.0858 1.6283 -0.6226 C.ar 1 UNL1 0.4832 22 C 2.2281 2.7446 2.8505 C.3 1 UNL1 -0.4543 23 C -5.1232 -0.8869 0.1122 C.ar 1 UNL1 -0.4292 24 C -5.4736 1.4558 -0.5578 C.ar 1 UNL1 -0.4976 25 C 5.6524 1.0619 0.0409 C.2 1 UNL1 -0.2245 26 C -5.9579 0.1996 -0.1907 C.ar 1 UNL1 0.4362 27 C 5.7975 0.5094 -1.1706 C.2 1 UNL1 0.0414 28 C 3.1241 -2.3732 -0.7872 C.3 1 UNL1 -0.2149 29 C 6.9735 -0.3576 -1.4887 C.3 1 UNL1 -0.4560 30 C 4.8267 0.6979 -2.2898 C.3 1 UNL1 -0.4546 31 H 0.8370 1.3462 -1.2206 H 1 UNL1 0.1861 32 H 2.2980 0.5097 -0.6700 H 1 UNL1 0.1676 33 H 0.3244 2.1647 1.0346 H 1 UNL1 0.1640 34 H 3.5084 0.1072 1.1645 H 1 UNL1 0.1715 35 H 4.1936 1.0865 2.4503 H 1 UNL1 0.1434 36 H -1.5422 -3.7073 0.8374 H 1 UNL1 0.1896 37 H 4.8685 2.8696 0.8941 H 1 UNL1 0.1411 38 H 3.8740 2.2191 -0.4038 H 1 UNL1 0.1472 39 H 2.2752 2.1744 3.7893 H 1 UNL1 0.1551 40 H 1.2945 3.3216 2.8692 H 1 UNL1 0.1512 41 H 3.0564 3.4664 2.8613 H 1 UNL1 0.1528 42 H -5.5371 -1.8490 0.3944 H 1 UNL1 0.2030 43 H -6.1298 2.2858 -0.7881 H 1 UNL1 0.1922 44 H 6.3868 0.8932 0.8266 H 1 UNL1 0.1449 45 H 0.5906 -4.6987 1.0098 H 1 UNL1 0.3287 46 H 2.7487 -2.0909 -1.7733 H 1 UNL1 0.1270 47 H 2.9939 -3.4450 -0.6070 H 1 UNL1 0.1414 48 H 4.1785 -2.0867 -0.6755 H 1 UNL1 0.1508 49 H -2.6129 2.8526 -0.9861 H 1 UNL1 0.3910 50 H 6.6550 -1.3511 -1.8322 H 1 UNL1 0.1506 51 H 7.6346 -0.5108 -0.6258 H 1 UNL1 0.1505 52 H 7.5850 0.0856 -2.2873 H 1 UNL1 0.1536 53 H 3.8545 0.2410 -2.0503 H 1 UNL1 0.1583 54 H 5.1719 0.2528 -3.2307 H 1 UNL1 0.1472 55 H 4.6455 1.7641 -2.4895 H 1 UNL1 0.1574 56 H -7.8360 0.7333 -0.3213 H 1 UNL1 0.3360 @BOND 1 54 30 1 2 55 30 1 3 30 53 1 4 30 27 1 5 52 29 1 6 50 29 1 7 46 28 1 8 29 27 1 9 29 51 1 10 31 9 1 11 27 25 2 12 49 5 1 13 5 21 1 14 43 24 1 15 28 48 1 16 28 47 1 17 28 2 1 18 3 12 2 19 32 9 1 20 21 24 ar 21 21 13 ar 22 24 26 ar 23 38 20 1 24 12 13 ar 25 12 8 ar 26 9 7 1 27 9 14 1 28 13 17 ar 29 56 6 1 30 26 6 1 31 26 23 ar 32 7 8 ar 33 7 11 ar 34 8 10 ar 35 17 23 ar 36 17 1 ar 37 25 20 1 38 25 44 1 39 23 42 1 40 11 2 1 41 11 19 ar 42 10 1 ar 43 10 18 ar 44 20 37 1 45 20 16 1 46 19 18 ar 47 19 4 1 48 18 36 1 49 4 45 1 50 14 33 1 51 14 15 2 52 34 16 1 53 16 15 1 54 16 35 1 55 15 22 1 56 22 41 1 57 22 40 1 58 22 39 1