@MOLECULE xanthone 23 25 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O -0.0002 1.5303 0.0001 O.2 1 UNL1 -0.2718 2 O 0.0022 -2.5763 0.0002 O.2 1 UNL1 -0.4453 3 C -1.2362 -0.5702 0.0001 C.ar 1 UNL1 -0.2733 4 C 1.2354 -0.5692 0.0002 C.ar 1 UNL1 -0.2738 5 C -1.1721 0.8231 0.0001 C.ar 1 UNL1 0.2643 6 C 1.1718 0.8241 0.0003 C.ar 1 UNL1 0.2646 7 C 0.0003 -1.3665 -0.0000 C.ar 1 UNL1 0.4915 8 C -2.4949 -1.1826 0.0001 C.ar 1 UNL1 -0.0131 9 C 2.4937 -1.1824 -0.0002 C.ar 1 UNL1 -0.0127 10 C -2.3195 1.6249 -0.0001 C.ar 1 UNL1 -0.2519 11 C 2.3196 1.6255 0.0002 C.ar 1 UNL1 -0.2521 12 C -3.6454 -0.4053 -0.0002 C.ar 1 UNL1 -0.2300 13 C 3.6446 -0.4050 -0.0004 C.ar 1 UNL1 -0.2303 14 C -3.5553 0.9925 -0.0002 C.ar 1 UNL1 -0.0488 15 C 3.5553 0.9926 -0.0001 C.ar 1 UNL1 -0.0486 16 H -2.5505 -2.2759 0.0001 H 1 UNL1 0.1748 17 H 2.5502 -2.2754 -0.0000 H 1 UNL1 0.1749 18 H -2.2300 2.7082 -0.0001 H 1 UNL1 0.1776 19 H 2.2305 2.7088 0.0000 H 1 UNL1 0.1775 20 H -4.6239 -0.8809 -0.0003 H 1 UNL1 0.1609 21 H 4.6227 -0.8812 -0.0006 H 1 UNL1 0.1608 22 H -4.4677 1.5906 -0.0003 H 1 UNL1 0.1524 23 H 4.4674 1.5902 -0.0003 H 1 UNL1 0.1523 @BOND 1 21 13 1 2 13 9 ar 3 13 15 ar 4 23 15 1 5 22 14 1 6 20 12 1 7 12 14 ar 8 12 8 ar 9 9 17 1 10 9 4 ar 11 14 10 ar 12 15 11 ar 13 18 10 1 14 10 5 ar 15 7 3 ar 16 7 2 2 17 7 4 ar 18 19 11 1 19 8 16 1 20 8 3 ar 21 3 5 ar 22 1 5 ar 23 1 6 ar 24 11 6 ar 25 4 6 ar