@MOLECULE genistein 30 32 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C -3.4112 -1.3860 0.1547 C.ar 1 UNL1 -0.4882 2 C -4.3591 -0.3591 0.0137 C.ar 1 UNL1 0.4337 3 O -5.6820 -0.6158 0.0274 O.3 1 UNL1 -0.4463 4 C -4.0128 0.9832 -0.1482 C.ar 1 UNL1 -0.4305 5 C -2.6548 1.3116 -0.1680 C.ar 1 UNL1 0.4677 6 O -2.3452 2.5972 -0.3206 O.3 1 UNL1 -0.4488 7 C -1.6510 0.3178 -0.0312 C.ar 1 UNL1 -0.4899 8 C -0.2359 0.6428 -0.0438 C.ar 1 UNL1 0.5420 9 O 0.1616 1.7939 -0.1414 O.2 1 UNL1 -0.5223 10 C 0.6676 -0.5120 0.0792 C.ar 1 UNL1 -0.2365 11 C 0.1446 -1.7446 0.2327 C.ar 1 UNL1 0.1255 12 O -1.1839 -2.0349 0.2669 O.2 1 UNL1 -0.2534 13 C -2.0745 -1.0076 0.1255 C.ar 1 UNL1 0.3838 14 C 2.1090 -0.2964 0.0347 C.ar 1 UNL1 -0.0617 15 C 2.9164 -1.1291 -0.7533 C.ar 1 UNL1 -0.0887 16 C 4.2931 -0.9581 -0.7793 C.ar 1 UNL1 -0.2505 17 C 4.8478 0.0684 -0.0066 C.ar 1 UNL1 0.2993 18 O 6.2005 0.1703 -0.0684 O.3 1 UNL1 -0.4745 19 C 4.0664 0.9254 0.7704 C.ar 1 UNL1 -0.3134 20 C 2.6878 0.7378 0.7790 C.ar 1 UNL1 -0.0369 21 H -3.6984 -2.4209 0.2801 H 1 UNL1 0.1888 22 H -5.8841 -1.5799 0.1414 H 1 UNL1 0.3345 23 H -4.7744 1.7516 -0.2548 H 1 UNL1 0.2097 24 H -1.3270 2.7306 -0.3134 H 1 UNL1 0.3863 25 H 0.6735 -2.6885 0.3544 H 1 UNL1 0.1823 26 H 2.4606 -1.9102 -1.3610 H 1 UNL1 0.1512 27 H 4.9379 -1.5917 -1.3820 H 1 UNL1 0.1753 28 H 6.5456 0.9165 0.4785 H 1 UNL1 0.3286 29 H 4.5170 1.7237 1.3498 H 1 UNL1 0.1632 30 H 2.0523 1.4065 1.3648 H 1 UNL1 0.1698 @BOND 1 27 16 1 2 26 15 1 3 16 15 ar 4 16 17 ar 5 15 14 ar 6 6 24 1 7 6 5 1 8 23 4 1 9 5 4 ar 10 5 7 ar 11 4 2 ar 12 9 8 2 13 18 17 1 14 18 28 1 15 8 7 ar 16 8 10 ar 17 7 13 ar 18 17 19 ar 19 2 3 1 20 2 1 ar 21 3 22 1 22 14 10 1 23 14 20 ar 24 10 11 ar 25 13 1 ar 26 13 12 ar 27 1 21 1 28 11 12 ar 29 11 25 1 30 19 20 ar 31 19 29 1 32 20 30 1