@MOLECULE 1-hydroxy-2,3,5-trimethoxyxanthone 36 38 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O -1.0674 -1.0500 0.1135 O.2 1 UNL1 -0.2423 2 O 4.0740 0.8260 -0.3344 O.3 1 UNL1 -0.2930 3 O 3.5890 -1.8354 -0.0684 O.3 1 UNL1 -0.2717 4 O 2.0255 2.5903 -0.2814 O.3 1 UNL1 -0.3693 5 O -3.5376 -2.1756 0.3800 O.3 1 UNL1 -0.3133 6 O -0.5855 3.0201 -0.1709 O.2 1 UNL1 -0.4228 7 C 0.4150 0.8775 -0.0825 C.ar 1 UNL1 -0.4054 8 C 0.1770 -0.4993 0.0143 C.ar 1 UNL1 0.3579 9 C -2.0339 1.1826 0.0313 C.ar 1 UNL1 -0.2216 10 C -2.1419 -0.2016 0.1144 C.ar 1 UNL1 0.1620 11 C -0.7003 1.8216 -0.0829 C.ar 1 UNL1 0.5150 12 C 1.7609 1.2821 -0.1743 C.ar 1 UNL1 0.3845 13 C 1.1844 -1.4643 0.0217 C.ar 1 UNL1 -0.4531 14 C 2.8037 0.3411 -0.1536 C.ar 1 UNL1 -0.1572 15 C 2.5089 -1.0302 -0.0681 C.ar 1 UNL1 0.3278 16 C -3.3996 -0.8266 0.2008 C.ar 1 UNL1 0.1120 17 C -3.1963 1.9574 0.0585 C.ar 1 UNL1 -0.0671 18 C -4.5495 -0.0436 0.2257 C.ar 1 UNL1 -0.1425 19 C -4.4423 1.3484 0.1608 C.ar 1 UNL1 -0.1837 20 C 4.8730 0.7188 0.8460 C.3 1 UNL1 -0.2156 21 C 3.3409 -3.2345 0.0500 C.3 1 UNL1 -0.2123 22 C -3.1079 -2.9407 -0.7452 C.3 1 UNL1 -0.2029 23 H 0.9205 -2.5111 0.0999 H 1 UNL1 0.1918 24 H -3.1065 3.0476 -0.0028 H 1 UNL1 0.1801 25 H -5.5242 -0.5263 0.2985 H 1 UNL1 0.1702 26 H -5.3434 1.9583 0.1867 H 1 UNL1 0.1611 27 H 3.0178 2.7386 -0.3727 H 1 UNL1 0.3355 28 H 5.0504 -0.3336 1.0905 H 1 UNL1 0.1391 29 H 4.4084 1.2398 1.6872 H 1 UNL1 0.1315 30 H 5.8088 1.2033 0.5448 H 1 UNL1 0.1459 31 H 4.3573 -3.6503 0.0205 H 1 UNL1 0.1547 32 H 2.7553 -3.6007 -0.7994 H 1 UNL1 0.1428 33 H 2.8563 -3.4643 1.0051 H 1 UNL1 0.1419 34 H -3.2080 -3.9713 -0.3816 H 1 UNL1 0.1487 35 H -2.0672 -2.7290 -1.0088 H 1 UNL1 0.1414 36 H -3.7728 -2.7592 -1.5946 H 1 UNL1 0.1301 @BOND 1 36 22 1 2 35 22 1 3 32 21 1 4 22 34 1 5 22 5 1 6 27 4 1 7 2 14 1 8 2 20 1 9 4 12 1 10 12 14 ar 11 12 7 ar 12 6 11 2 13 14 15 ar 14 11 7 ar 15 11 9 ar 16 7 8 ar 17 3 15 1 18 3 21 1 19 15 13 ar 20 24 17 1 21 8 13 ar 22 8 1 ar 23 31 21 1 24 13 23 1 25 9 17 ar 26 9 10 ar 27 21 33 1 28 17 19 ar 29 1 10 ar 30 10 16 ar 31 19 26 1 32 19 18 ar 33 16 18 ar 34 16 5 1 35 18 25 1 36 30 20 1 37 20 28 1 38 20 29 1