@MOLECULE 4',6,7-trihydroxy isoflavone 30 32 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O 0.9925 2.0265 -0.0011 O.2 1 UNL1 -0.2446 2 O -0.3053 -1.8487 -0.0316 O.2 1 UNL1 -0.4366 3 O 4.8700 -1.8385 -0.0099 O.3 1 UNL1 -0.4866 4 O 5.4866 0.7987 0.0258 O.3 1 UNL1 -0.4303 5 O -6.3372 -0.3788 0.0936 O.3 1 UNL1 -0.4753 6 C 1.5037 -0.3454 -0.0082 C.ar 1 UNL1 -0.2700 7 C -0.8277 0.4636 -0.0116 C.ar 1 UNL1 -0.2613 8 C 1.8915 0.9920 -0.0006 C.ar 1 UNL1 0.2561 9 C 0.0744 -0.7018 -0.0185 C.ar 1 UNL1 0.4961 10 C -2.2697 0.2272 -0.0101 C.ar 1 UNL1 -0.0535 11 C 2.4928 -1.3421 -0.0075 C.ar 1 UNL1 -0.1186 12 C -0.3291 1.7126 -0.0043 C.ar 1 UNL1 0.1304 13 C 3.2315 1.3994 0.0100 C.ar 1 UNL1 -0.3145 14 C 3.8202 -0.9659 0.0019 C.ar 1 UNL1 0.0745 15 C 4.1983 0.4038 0.0122 C.ar 1 UNL1 0.2945 16 C -2.9619 0.1322 -1.2192 C.ar 1 UNL1 -0.0647 17 C -2.9478 0.0919 1.2083 C.ar 1 UNL1 -0.0733 18 C -4.3394 -0.0722 -1.2245 C.ar 1 UNL1 -0.3094 19 C -4.3204 -0.1121 1.2264 C.ar 1 UNL1 -0.2454 20 C -4.9951 -0.1879 0.0023 C.ar 1 UNL1 0.2946 21 H 2.1878 -2.3919 -0.0159 H 1 UNL1 0.1881 22 H -0.8770 2.6534 0.0012 H 1 UNL1 0.1796 23 H 3.5059 2.4520 0.0169 H 1 UNL1 0.2013 24 H -2.4210 0.2132 -2.1620 H 1 UNL1 0.1556 25 H -2.3909 0.1416 2.1443 H 1 UNL1 0.1576 26 H -4.8832 -0.1450 -2.1590 H 1 UNL1 0.1603 27 H -4.8718 -0.2178 2.1567 H 1 UNL1 0.1758 28 H 4.5629 -2.7746 0.0757 H 1 UNL1 0.3432 29 H 6.1055 0.0149 0.0356 H 1 UNL1 0.3493 30 H -6.7658 -0.4504 -0.7928 H 1 UNL1 0.3272 @BOND 1 24 16 1 2 26 18 1 3 18 16 ar 4 18 20 ar 5 16 10 ar 6 30 5 1 7 2 9 2 8 9 7 ar 9 9 6 ar 10 21 11 1 11 7 10 1 12 7 12 ar 13 10 17 ar 14 3 14 1 15 3 28 1 16 6 11 ar 17 6 8 ar 18 11 14 ar 19 12 1 ar 20 12 22 1 21 1 8 ar 22 8 13 ar 23 14 15 ar 24 20 5 1 25 20 19 ar 26 13 15 ar 27 13 23 1 28 15 4 1 29 4 29 1 30 17 19 ar 31 17 25 1 32 19 27 1