@MOLECULE 1,3-dihydroxy-12h-benzo[b]xanthen-12-one 31 34 0 0 0 SMALL USER_CHARGES @ATOM 1 O -0.5352 -1.5128 -0.0004 O.3 1 UNL11111111 0.0007 2 O -0.6278 2.5986 -0.0007 O.2 1 UNL11111111 -0.1641 3 O -3.2039 2.4360 0.0002 O.3 1 UNL11111111 -0.3280 4 O -5.1304 -1.9486 0.0001 O.3 1 UNL11111111 -0.3307 5 C 0.6475 0.6318 -0.0000 C.ar 1 UNL11111111 0.0291 6 C 0.6296 -0.7810 -0.0002 C.ar 1 UNL11111111 0.0876 7 C -1.8225 0.5554 -0.0000 C.ar 1 UNL11111111 0.0878 8 C 3.0711 0.5397 0.0003 C.ar 1 UNL11111111 0.1607 9 C 3.0273 -0.8758 0.0001 C.ar 1 UNL11111111 0.1936 10 C -0.6244 1.3905 -0.0002 C.2 1 UNL11111111 -0.0243 11 C -1.7193 -0.8445 -0.0003 C.ar 1 UNL11111111 0.0549 12 C 1.8609 1.2800 0.0002 C.ar 1 UNL11111111 -0.2973 13 C 1.7759 -1.5410 0.0000 C.ar 1 UNL11111111 -0.4827 14 C -3.1232 1.0973 0.0002 C.ar 1 UNL11111111 0.1816 15 C -2.8257 -1.6931 -0.0000 C.ar 1 UNL11111111 -0.4342 16 C 4.3340 1.1962 0.0003 C.ar 1 UNL11111111 -0.3035 17 C 4.2495 -1.6072 0.0000 C.ar 1 UNL11111111 -0.3355 18 C -4.2685 0.2938 0.0004 C.ar 1 UNL11111111 -0.6919 19 C -4.0876 -1.0935 0.0001 C.ar 1 UNL11111111 0.2846 20 C 5.4951 0.4698 0.0000 C.ar 1 UNL11111111 -0.2144 21 C 5.4506 -0.9489 0.0000 C.ar 1 UNL11111111 -0.1198 22 H 1.8940 2.3754 0.0002 H 1 UNL11111111 0.2414 23 H 1.7311 -2.6272 -0.0000 H 1 UNL11111111 0.2936 24 H -2.7164 -2.7734 -0.0000 H 1 UNL11111111 0.2946 25 H 4.3557 2.2857 0.0003 H 1 UNL11111111 0.2343 26 H 4.2064 -2.6947 -0.0001 H 1 UNL11111111 0.2201 27 H -5.2559 0.7291 0.0007 H 1 UNL11111111 0.2739 28 H 6.4649 0.9631 -0.0001 H 1 UNL11111111 0.1981 29 H 6.3895 -1.5013 -0.0001 H 1 UNL11111111 0.1862 30 H -4.1440 2.7606 0.0002 H 1 UNL11111111 0.3616 31 H -6.0054 -1.4842 -0.0004 H 1 UNL11111111 0.3421 @BOND 1 2 10 2 2 1 11 1 3 1 6 1 4 31 4 1 5 11 7 ar 6 11 15 ar 7 10 7 1 8 10 5 1 9 6 13 ar 10 6 5 ar 11 26 17 1 12 29 21 1 13 28 20 1 14 17 21 ar 15 17 9 ar 16 7 14 ar 17 20 21 ar 18 20 16 ar 19 13 23 1 20 13 9 ar 21 5 12 ar 22 15 24 1 23 15 19 ar 24 19 4 1 25 19 18 ar 26 9 8 ar 27 22 12 1 28 14 3 1 29 14 18 ar 30 3 30 1 31 12 8 ar 32 16 25 1 33 16 8 ar 34 18 27 1