@MOLECULE 1,3,5,6-tetrahydroxyxanthen-9-one 27 29 0 0 0 SMALL USER_CHARGES @ATOM 1 O -0.2080 -1.2751 0.0017 O.3 1 UNL11111111 -0.1969 2 O 0.3772 2.7966 0.0023 O.2 1 UNL11111111 -0.4353 3 O 2.9192 2.3285 -0.0014 O.3 1 UNL11111111 -0.3892 4 O -2.5952 -2.3467 0.0042 O.3 1 UNL11111111 -0.4098 5 O -4.8478 -0.7947 -0.0117 O.3 1 UNL11111111 -0.4825 6 O 4.3026 -2.2583 -0.0014 O.3 1 UNL11111111 -0.4514 7 C 1.3216 0.6264 0.0003 C.ar 1 UNL11111111 -0.4220 8 C -1.1206 0.9918 0.0008 C.ar 1 UNL11111111 -0.2576 9 C -1.2587 -0.3959 0.0010 C.ar 1 UNL11111111 0.1900 10 C 1.0505 -0.7504 0.0008 C.ar 1 UNL11111111 0.3629 11 C 0.2300 1.5974 0.0012 C.2 1 UNL11111111 0.5203 12 C 2.6783 1.0088 -0.0011 C.ar 1 UNL11111111 0.4485 13 C -2.5297 -0.9919 0.0018 C.ar 1 UNL11111111 0.0956 14 C -2.2572 1.8048 0.0008 C.ar 1 UNL11111111 -0.0229 15 C 2.0466 -1.7261 0.0005 C.ar 1 UNL11111111 -0.4160 16 C -3.6512 -0.1491 -0.0011 C.ar 1 UNL11111111 0.2094 17 C 3.7182 0.0731 -0.0017 C.ar 1 UNL11111111 -0.5458 18 C 3.3713 -1.2829 -0.0010 C.ar 1 UNL11111111 0.4373 19 C -3.5281 1.2420 0.0003 C.ar 1 UNL11111111 -0.2981 20 H -2.1290 2.8930 0.0008 H 1 UNL11111111 0.1814 21 H 1.8065 -2.7859 0.0010 H 1 UNL11111111 0.2079 22 H 4.7510 0.3860 -0.0023 H 1 UNL11111111 0.1750 23 H -4.4107 1.8738 -0.0015 H 1 UNL11111111 0.1678 24 H 3.8914 2.5377 -0.0029 H 1 UNL11111111 0.3205 25 H -3.5462 -2.6439 0.0222 H 1 UNL11111111 0.3348 26 H -5.6074 -0.1643 0.0517 H 1 UNL11111111 0.3431 27 H 5.2278 -1.9048 -0.0027 H 1 UNL11111111 0.3331 @BOND 1 5 16 1 2 5 26 1 3 24 3 1 4 27 6 1 5 22 17 1 6 17 12 ar 7 17 18 ar 8 23 19 1 9 3 12 1 10 6 18 1 11 16 19 ar 12 16 13 ar 13 12 7 ar 14 18 15 ar 15 19 14 ar 16 7 10 ar 17 7 11 1 18 15 10 ar 19 15 21 1 20 14 8 ar 21 14 20 1 22 8 9 ar 23 8 11 1 24 10 1 1 25 9 1 1 26 9 13 ar 27 11 2 2 28 13 4 1 29 4 25 1