@MOLECULE 1-hydroxy-3,5,6,7,8-pentamethoxyxanthone 44 46 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O -0.8814 -1.2664 0.0808 O.2 1 UNL1 -0.2188 2 O 1.9673 2.5650 0.0302 O.3 1 UNL1 -0.2321 3 O 1.1789 -2.8945 -0.2261 O.3 1 UNL1 -0.2762 4 O 4.2314 0.8036 -0.0962 O.3 1 UNL1 -0.3036 5 O 3.7692 -1.9289 0.0215 O.3 1 UNL1 -0.3268 6 O -0.5456 2.8220 0.1764 O.2 1 UNL1 -0.5088 7 O -3.1617 2.9738 0.0779 O.3 1 UNL1 -0.4608 8 O -5.6283 -0.9025 -0.1404 O.3 1 UNL1 -0.2936 9 C 0.5413 0.7237 0.0562 C.ar 1 UNL1 -0.3397 10 C 0.3442 -0.6615 0.0410 C.ar 1 UNL1 0.2406 11 C -1.9119 0.9270 0.0666 C.ar 1 UNL1 -0.4882 12 C -0.6264 1.6059 0.1085 C.ar 1 UNL1 0.5666 13 C -1.9914 -0.4671 0.0436 C.ar 1 UNL1 0.3827 14 C 1.8609 1.2210 -0.0071 C.ar 1 UNL1 0.2802 15 C 1.4162 -1.5621 -0.0371 C.ar 1 UNL1 -0.0195 16 C 2.9451 0.3278 -0.0340 C.ar 1 UNL1 -0.0585 17 C 2.7209 -1.0542 -0.0506 C.ar 1 UNL1 0.2184 18 C -3.1364 1.6413 0.0388 C.ar 1 UNL1 0.4677 19 C -3.1947 -1.1664 -0.0182 C.ar 1 UNL1 -0.4745 20 C -4.3755 -0.4102 -0.0618 C.ar 1 UNL1 0.3909 21 C -4.3666 0.9908 -0.0302 C.ar 1 UNL1 -0.4433 22 C 2.9923 3.1445 -0.7824 C.3 1 UNL1 -0.2081 23 C 1.1382 -3.6205 1.0037 C.3 1 UNL1 -0.2087 24 C 4.7947 0.9189 1.2157 C.3 1 UNL1 -0.2067 25 C 4.3123 -2.2290 -1.2678 C.3 1 UNL1 -0.1846 26 C -5.7896 -2.3127 -0.1987 C.3 1 UNL1 -0.2050 27 H -3.1909 -2.2478 -0.0487 H 1 UNL1 0.1894 28 H -5.2933 1.5638 -0.0593 H 1 UNL1 0.2035 29 H 2.9815 2.7279 -1.7930 H 1 UNL1 0.1392 30 H 3.9773 3.0282 -0.3238 H 1 UNL1 0.1445 31 H 2.6879 4.2019 -0.7930 H 1 UNL1 0.1545 32 H -2.2071 3.3501 0.1330 H 1 UNL1 0.3852 33 H 0.9486 -4.6438 0.6582 H 1 UNL1 0.1438 34 H 0.3224 -3.2638 1.6404 H 1 UNL1 0.1338 35 H 2.1010 -3.5549 1.5205 H 1 UNL1 0.1370 36 H 4.8668 -0.0679 1.6851 H 1 UNL1 0.1403 37 H 4.2009 1.6072 1.8268 H 1 UNL1 0.1364 38 H 5.7923 1.3270 1.0260 H 1 UNL1 0.1415 39 H 5.1432 -2.8999 -1.0245 H 1 UNL1 0.1464 40 H 4.6761 -1.3167 -1.7505 H 1 UNL1 0.1402 41 H 3.5628 -2.7431 -1.8800 H 1 UNL1 0.1405 42 H -5.3986 -2.7893 0.7079 H 1 UNL1 0.1390 43 H -5.3252 -2.7209 -1.1014 H 1 UNL1 0.1402 44 H -6.8836 -2.4100 -0.2474 H 1 UNL1 0.1548 @BOND 1 41 25 1 2 29 22 1 3 40 25 1 4 25 39 1 5 25 5 1 6 43 26 1 7 31 22 1 8 22 30 1 9 22 2 1 10 44 26 1 11 3 15 1 12 3 23 1 13 26 8 1 14 26 42 1 15 8 20 1 16 4 16 1 17 4 24 1 18 20 21 ar 19 20 19 ar 20 28 21 1 21 17 15 ar 22 17 16 ar 23 17 5 1 24 27 19 1 25 15 10 ar 26 16 14 ar 27 21 18 ar 28 19 13 ar 29 14 2 1 30 14 9 ar 31 18 11 ar 32 18 7 1 33 10 9 ar 34 10 1 ar 35 13 11 ar 36 13 1 ar 37 9 12 ar 38 11 12 ar 39 7 32 1 40 12 6 2 41 33 23 1 42 23 35 1 43 23 34 1 44 38 24 1 45 24 36 1 46 24 37 1