@MOLECULE 2-[(2e)-3,7-dimethyl-2,6-octadien-1-yl]-1,3,5,8-tetrahydroxy-9h-xanthen-9-one 53 55 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O -2.7967 -1.5580 -0.5344 O.2 1 UNL1 -0.2819 2 O 0.9839 0.5412 1.4632 O.3 1 UNL1 -0.3872 3 O 1.2941 -3.8539 -0.2352 O.3 1 UNL1 -0.4487 4 O -1.2889 1.7249 1.4144 O.2 1 UNL1 -0.4974 5 O -3.6383 2.8915 1.1650 O.3 1 UNL1 -0.4641 6 O -5.3880 -1.5903 -1.4525 O.3 1 UNL1 -0.4459 7 C 1.1897 -1.7015 0.6425 C.ar 1 UNL1 -0.3136 8 C -0.9145 -0.4304 0.5202 C.ar 1 UNL1 -0.4172 9 C 2.6089 -1.8211 1.0866 C.3 1 UNL1 -0.2330 10 C 0.4499 -0.5332 0.8737 C.ar 1 UNL1 0.4320 11 C -1.4952 -1.5278 -0.1297 C.ar 1 UNL1 0.3947 12 C 4.7217 -0.6641 0.3452 C.2 1 UNL1 0.0280 13 C 0.5435 -2.7549 -0.0162 C.ar 1 UNL1 0.4188 14 C 5.6174 -0.2263 -0.7797 C.3 1 UNL1 -0.2847 15 C -3.0984 0.6936 0.3521 C.ar 1 UNL1 -0.3753 16 C -1.7104 0.7476 0.8207 C.ar 1 UNL1 0.5582 17 C 3.5466 -1.2452 0.0773 C.2 1 UNL1 -0.2220 18 C -0.7962 -2.6962 -0.4187 C.ar 1 UNL1 -0.4804 19 C -3.5655 -0.4432 -0.3101 C.ar 1 UNL1 0.1792 20 C 5.4204 1.2656 -1.1058 C.3 1 UNL1 -0.2531 21 C -3.9915 1.7619 0.5383 C.ar 1 UNL1 0.3652 22 C 5.2426 -0.4011 1.7178 C.3 1 UNL1 -0.4550 23 C -4.8736 -0.5163 -0.7903 C.ar 1 UNL1 0.1056 24 C 4.0750 1.5186 -1.7022 C.2 1 UNL1 -0.2354 25 C -5.3149 1.6987 0.0635 C.ar 1 UNL1 -0.2689 26 C -5.7484 0.5628 -0.5989 C.ar 1 UNL1 -0.0827 27 C 3.1736 2.3972 -1.2434 C.2 1 UNL1 0.0560 28 C 1.8730 2.6093 -1.9501 C.3 1 UNL1 -0.4575 29 C 3.3679 3.2455 -0.0307 C.3 1 UNL1 -0.4594 30 H 2.8693 -2.9001 1.2291 H 1 UNL1 0.1766 31 H 2.7416 -1.3753 2.0962 H 1 UNL1 0.1425 32 H 5.4330 -0.8337 -1.6889 H 1 UNL1 0.1471 33 H 6.6780 -0.4139 -0.5221 H 1 UNL1 0.1410 34 H 3.2128 -1.3698 -0.9544 H 1 UNL1 0.1606 35 H -1.2782 -3.5221 -0.9242 H 1 UNL1 0.1864 36 H 6.2031 1.5917 -1.8242 H 1 UNL1 0.1412 37 H 5.5932 1.8707 -0.1951 H 1 UNL1 0.1408 38 H 6.2899 -0.7189 1.8222 H 1 UNL1 0.1555 39 H 4.6802 -0.9185 2.5047 H 1 UNL1 0.1494 40 H 5.2135 0.6756 1.9414 H 1 UNL1 0.1559 41 H 3.8666 0.9192 -2.5876 H 1 UNL1 0.1458 42 H -5.9755 2.5487 0.2260 H 1 UNL1 0.1849 43 H -6.7673 0.4843 -0.9835 H 1 UNL1 0.1773 44 H 1.9774 0.4638 1.5740 H 1 UNL1 0.3381 45 H 0.7957 -4.5686 -0.7064 H 1 UNL1 0.3342 46 H 1.0216 2.3473 -1.3034 H 1 UNL1 0.1667 47 H 1.7794 2.0042 -2.8611 H 1 UNL1 0.1490 48 H 1.7484 3.6612 -2.2437 H 1 UNL1 0.1550 49 H 4.0578 2.7936 0.6936 H 1 UNL1 0.1466 50 H 2.4211 3.4257 0.4980 H 1 UNL1 0.1627 51 H 3.7797 4.2283 -0.3051 H 1 UNL1 0.1574 52 H -2.6628 2.8379 1.4661 H 1 UNL1 0.3810 53 H -4.7043 -2.2963 -1.5682 H 1 UNL1 0.3300 @BOND 1 47 28 1 2 41 24 1 3 48 28 1 4 28 46 1 5 28 27 1 6 36 20 1 7 24 27 2 8 24 20 1 9 32 14 1 10 53 6 1 11 6 23 1 12 27 29 1 13 20 14 1 14 20 37 1 15 43 26 1 16 34 17 1 17 35 18 1 18 23 26 ar 19 23 19 ar 20 14 33 1 21 14 12 1 22 45 3 1 23 26 25 ar 24 1 19 ar 25 1 11 ar 26 18 11 ar 27 18 13 ar 28 19 15 ar 29 51 29 1 30 3 13 1 31 11 8 ar 32 29 50 1 33 29 49 1 34 13 7 ar 35 25 42 1 36 25 21 ar 37 17 12 2 38 17 9 1 39 12 22 1 40 15 21 ar 41 15 16 ar 42 8 16 ar 43 8 10 ar 44 21 5 1 45 7 10 ar 46 7 9 1 47 16 4 2 48 10 2 1 49 9 30 1 50 9 31 1 51 5 52 1 52 2 44 1 53 22 38 1 54 22 40 1 55 22 39 1