@MOLECULE 1-hydroxyxanthone 24 26 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O -0.4051 -1.6731 0.0000 O.2 1 UNL1 0.0623 2 O 2.6370 1.9973 -0.0002 O.3 1 UNL1 -0.3330 3 O 0.0693 2.4070 0.0003 O.2 1 UNL1 -0.1887 4 C 1.0732 0.2615 0.0000 C.ar 1 UNL1 0.1609 5 C -1.3765 0.5585 -0.0000 C.ar 1 UNL1 0.0386 6 C 0.8415 -1.1182 0.0001 C.ar 1 UNL1 -0.0030 7 C -1.4861 -0.8298 -0.0000 C.ar 1 UNL1 0.0129 8 C -0.0486 1.2053 0.0001 C.ar 1 UNL1 -0.0484 9 C 2.4198 0.6707 -0.0001 C.ar 1 UNL1 0.0580 10 C -2.5494 1.3197 -0.0001 C.ar 1 UNL1 -0.1473 11 C 1.8699 -2.0668 0.0001 C.ar 1 UNL1 -0.3822 12 C -2.7212 -1.4868 0.0000 C.ar 1 UNL1 -0.2849 13 C 3.4743 -0.2515 -0.0000 C.ar 1 UNL1 -0.4634 14 C 3.1848 -1.6138 0.0000 C.ar 1 UNL1 0.0256 15 C -3.7888 0.6903 -0.0001 C.ar 1 UNL1 -0.2856 16 C -3.8708 -0.7071 -0.0001 C.ar 1 UNL1 -0.0944 17 H -2.4715 2.4118 -0.0001 H 1 UNL1 0.1934 18 H 1.6334 -3.1266 0.0001 H 1 UNL1 0.2622 19 H -2.7657 -2.5724 0.0000 H 1 UNL1 0.2464 20 H 4.5030 0.0893 -0.0001 H 1 UNL1 0.2293 21 H 4.0025 -2.3381 0.0000 H 1 UNL1 0.1913 22 H -4.7003 1.2836 -0.0002 H 1 UNL1 0.2034 23 H -4.8493 -1.1891 -0.0001 H 1 UNL1 0.1957 24 H 3.6060 2.2197 -0.0002 H 1 UNL1 0.3509 @BOND 1 24 2 1 2 2 9 1 3 22 15 1 4 23 16 1 5 20 13 1 6 17 10 1 7 16 15 ar 8 16 12 ar 9 15 10 ar 10 9 4 ar 11 9 13 ar 12 10 5 ar 13 1 7 ar 14 1 6 ar 15 12 7 ar 16 12 19 1 17 4 6 ar 18 4 8 ar 19 14 21 1 20 14 13 ar 21 14 11 ar 22 7 5 ar 23 5 8 ar 24 6 11 ar 25 8 3 2 26 11 18 1