@MOLECULE 1,3,7-trihydroxy-9h-xanthen-9-one 26 28 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O 0.0331 -1.6521 0.0001 O.2 1 UNL1 -0.2491 2 O -2.3047 2.5666 -0.0000 O.3 1 UNL1 -0.4560 3 O 0.3349 2.4444 -0.0000 O.2 1 UNL1 -0.5240 4 O -4.5926 -1.5672 -0.0001 O.3 1 UNL1 -0.4506 5 O 5.0884 0.4160 -0.0002 O.3 1 UNL1 -0.4630 6 C -1.0285 0.5347 0.0000 C.ar 1 UNL1 -0.4995 7 C 1.4263 0.3524 0.0000 C.ar 1 UNL1 -0.1846 8 C -1.0817 -0.8697 0.0000 C.ar 1 UNL1 0.3885 9 C 1.2586 -1.0299 -0.0000 C.ar 1 UNL1 0.1886 10 C 0.2426 1.2255 0.0000 C.ar 1 UNL1 0.5398 11 C -2.2603 1.2355 -0.0001 C.ar 1 UNL1 0.4857 12 C -2.2747 -1.5818 0.0000 C.ar 1 UNL1 -0.4296 13 C 2.7196 0.8830 0.0002 C.ar 1 UNL1 -0.1915 14 C 2.3447 -1.9190 0.0000 C.ar 1 UNL1 -0.1765 15 C -3.4862 0.5621 -0.0000 C.ar 1 UNL1 -0.4965 16 C -3.4618 -0.8342 -0.0000 C.ar 1 UNL1 0.4415 17 C 3.7940 0.0016 0.0001 C.ar 1 UNL1 0.2232 18 C 3.6251 -1.3962 -0.0001 C.ar 1 UNL1 -0.1488 19 H -2.2981 -2.6668 0.0001 H 1 UNL1 0.2047 20 H 2.8563 1.9654 0.0000 H 1 UNL1 0.1876 21 H 2.1668 -2.9940 -0.0001 H 1 UNL1 0.1808 22 H -4.4109 1.1260 -0.0000 H 1 UNL1 0.1936 23 H 4.5059 -2.0393 -0.0001 H 1 UNL1 0.1812 24 H -1.3591 2.9648 0.0000 H 1 UNL1 0.3868 25 H -5.4114 -1.0064 -0.0001 H 1 UNL1 0.3368 26 H 5.1625 1.4025 0.0005 H 1 UNL1 0.3308 @BOND 1 5 17 1 2 5 26 1 3 21 14 1 4 18 23 1 5 18 14 ar 6 18 17 ar 7 4 25 1 8 4 16 1 9 11 2 1 10 11 15 ar 11 11 6 ar 12 8 12 ar 13 8 6 ar 14 8 1 ar 15 9 7 ar 16 9 14 ar 17 9 1 ar 18 10 7 ar 19 10 6 ar 20 10 3 2 21 2 24 1 22 12 16 ar 23 12 19 1 24 7 13 ar 25 15 16 ar 26 15 22 1 27 20 13 1 28 17 13 ar