@MOLECULE 5,9-dihydroxy-10-methoxy-2,2-dimethyl-11-(3-methyl-2-buten-1-yl)-3,4-dihydro-2h,12h-pyrano[2,3-a]xanthen-12-one 56 59 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O -2.5434 -1.1251 -0.4701 O.3 1 UNL1 -0.2923 2 O 0.2927 2.6109 0.1757 O.2 1 UNL1 -0.2589 3 O -4.3266 3.0045 1.0139 O.3 1 UNL1 -0.4620 4 O -0.1304 -1.0840 -1.4098 O.2 1 UNL1 -0.4685 5 O 4.9470 -0.2340 -0.3248 O.3 1 UNL1 -0.3172 6 O 4.9270 2.4211 0.3171 O.3 1 UNL1 -0.4440 7 C -3.8681 -1.6917 -0.6302 C.3 1 UNL1 0.3067 8 C -4.8220 -1.1423 0.4329 C.3 1 UNL1 -0.3407 9 C -4.8836 0.3873 0.3693 C.3 1 UNL1 -0.2191 10 C -3.5102 0.9546 0.2783 C.ar 1 UNL1 -0.3072 11 C -2.4329 0.1639 -0.1497 C.ar 1 UNL1 0.3941 12 C -4.3080 -1.3872 -2.0584 C.3 1 UNL1 -0.4980 13 C -3.5826 -3.1806 -0.4279 C.3 1 UNL1 -0.4829 14 C -1.1198 0.6842 -0.2199 C.ar 1 UNL1 -0.4276 15 C -3.2498 2.2830 0.6270 C.ar 1 UNL1 0.3962 16 C -0.9315 2.0086 0.1798 C.ar 1 UNL1 0.3769 17 C 0.0110 -0.0903 -0.7347 C.ar 1 UNL1 0.5480 18 C -1.9684 2.8420 0.5949 C.ar 1 UNL1 -0.4738 19 C 1.3341 0.4790 -0.4108 C.ar 1 UNL1 -0.3357 20 C 1.3973 1.8201 -0.0146 C.ar 1 UNL1 0.3119 21 C 2.5328 -0.2526 -0.5060 C.ar 1 UNL1 0.1768 22 C 2.5810 -1.7280 -0.7515 C.3 1 UNL1 -0.2857 23 C 3.7362 0.4228 -0.2988 C.ar 1 UNL1 -0.0768 24 C 2.5874 2.5053 0.2319 C.ar 1 UNL1 -0.3576 25 C 3.7643 1.7797 0.0775 C.ar 1 UNL1 0.3195 26 C 2.8870 -2.3988 0.5532 C.2 1 UNL1 -0.2356 27 C 1.9662 -2.8736 1.4028 C.2 1 UNL1 0.0757 28 C 5.5305 -0.2374 -1.6283 C.3 1 UNL1 -0.2136 29 C 2.3723 -3.5126 2.6929 C.3 1 UNL1 -0.4597 30 C 0.4965 -2.7961 1.1713 C.3 1 UNL1 -0.4597 31 H -4.4801 -1.4570 1.4395 H 1 UNL1 0.1583 32 H -5.8287 -1.5774 0.3037 H 1 UNL1 0.1507 33 H -5.4108 0.7838 1.2643 H 1 UNL1 0.1569 34 H -5.4963 0.7221 -0.4944 H 1 UNL1 0.1488 35 H -3.5521 -1.7300 -2.7799 H 1 UNL1 0.1713 36 H -5.2553 -1.8756 -2.3032 H 1 UNL1 0.1529 37 H -4.4301 -0.3091 -2.2229 H 1 UNL1 0.1638 38 H -2.7755 -3.5160 -1.0970 H 1 UNL1 0.1742 39 H -3.2502 -3.3932 0.5952 H 1 UNL1 0.1600 40 H -4.4679 -3.7872 -0.6366 H 1 UNL1 0.1532 41 H -1.7765 3.8672 0.8809 H 1 UNL1 0.1881 42 H 1.6378 -2.1178 -1.1988 H 1 UNL1 0.1954 43 H 3.3627 -1.9778 -1.5013 H 1 UNL1 0.1546 44 H 2.5969 3.5462 0.5406 H 1 UNL1 0.2000 45 H -4.0860 3.9318 1.2660 H 1 UNL1 0.3337 46 H 3.9503 -2.4529 0.7798 H 1 UNL1 0.1535 47 H 5.6922 1.7784 0.2906 H 1 UNL1 0.3438 48 H 6.4503 -0.8146 -1.4794 H 1 UNL1 0.1459 49 H 5.7526 0.7812 -1.9574 H 1 UNL1 0.1264 50 H 4.8773 -0.7373 -2.3504 H 1 UNL1 0.1375 51 H 3.4570 -3.4856 2.8583 H 1 UNL1 0.1498 52 H 1.9030 -3.0049 3.5475 H 1 UNL1 0.1562 53 H 2.0651 -4.5668 2.7256 H 1 UNL1 0.1524 54 H 0.2281 -2.9929 0.1199 H 1 UNL1 0.1734 55 H -0.0716 -3.5020 1.7864 H 1 UNL1 0.1435 56 H 0.1184 -1.7858 1.3967 H 1 UNL1 0.1659 @BOND 1 35 12 1 2 50 28 1 3 36 12 1 4 37 12 1 5 12 7 1 6 49 28 1 7 28 48 1 8 28 5 1 9 43 22 1 10 4 17 2 11 42 22 1 12 38 13 1 13 22 21 1 14 22 26 1 15 17 19 ar 16 17 14 ar 17 40 13 1 18 7 1 1 19 7 13 1 20 7 8 1 21 21 19 ar 22 21 23 ar 23 34 9 1 24 1 11 1 25 13 39 1 26 19 20 ar 27 5 23 1 28 23 25 ar 29 14 11 ar 30 14 16 ar 31 11 10 ar 32 20 2 ar 33 20 24 ar 34 25 24 ar 35 25 6 1 36 54 30 1 37 2 16 ar 38 16 18 ar 39 24 44 1 40 10 9 1 41 10 15 ar 42 47 6 1 43 32 8 1 44 9 8 1 45 9 33 1 46 8 31 1 47 26 46 1 48 26 27 2 49 18 15 ar 50 18 41 1 51 15 3 1 52 3 45 1 53 30 56 1 54 30 27 1 55 30 55 1 56 27 29 1 57 29 53 1 58 29 51 1 59 29 52 1