@MOLECULE 6,3'-dinitroflavone 31 33 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O 0.1271 0.1898 0.2723 O.2 1 UNL1 -0.2638 2 O -2.1256 -3.0508 -0.7622 O.2 1 UNL1 -0.4182 3 O -5.7957 2.0258 0.3257 O.2 1 UNL1 -0.4025 4 O -6.0988 -0.0353 -0.2176 O.2 1 UNL1 -0.3881 5 O 6.0585 1.6632 -0.2654 O.2 1 UNL1 -0.3880 6 O 4.1644 2.5400 -0.7976 O.2 1 UNL1 -0.3868 7 N -5.3805 0.9082 0.0653 N.pl3 1 UNL1 0.6359 8 N 4.8461 1.6161 -0.3872 N.pl3 1 UNL1 0.6214 9 C -2.0578 -0.7759 -0.1530 C.ar 1 UNL1 -0.2865 10 C -1.2294 0.2956 0.1872 C.ar 1 UNL1 0.2961 11 C 0.7003 -1.0314 -0.0001 C.ar 1 UNL1 0.2706 12 C 2.1483 -0.9049 0.1687 C.ar 1 UNL1 -0.0938 13 C -1.4606 -2.0902 -0.4578 C.ar 1 UNL1 0.4948 14 C 0.0014 -2.1211 -0.3548 C.ar 1 UNL1 -0.4065 15 C -3.4383 -0.5758 -0.1969 C.ar 1 UNL1 0.0386 16 C -1.7297 1.5744 0.4776 C.ar 1 UNL1 -0.2617 17 C -3.9443 0.6896 0.0979 C.ar 1 UNL1 -0.1603 18 C 2.7882 0.2815 -0.1947 C.ar 1 UNL1 -0.0457 19 C -3.0992 1.7648 0.4306 C.ar 1 UNL1 -0.0021 20 C 2.8826 -1.9690 0.7053 C.ar 1 UNL1 -0.0609 21 C 4.1693 0.3790 -0.0165 C.ar 1 UNL1 -0.0936 22 C 4.2606 -1.8531 0.8729 C.ar 1 UNL1 -0.1734 23 C 4.9155 -0.6786 0.5114 C.ar 1 UNL1 -0.0562 24 H 0.4750 -3.0735 -0.5911 H 1 UNL1 0.2043 25 H -4.1056 -1.4129 -0.4606 H 1 UNL1 0.2102 26 H -1.0476 2.3850 0.7338 H 1 UNL1 0.1924 27 H 2.2211 1.1233 -0.6132 H 1 UNL1 0.1988 28 H -3.5339 2.7490 0.6521 H 1 UNL1 0.1929 29 H 2.3735 -2.8910 0.9985 H 1 UNL1 0.1697 30 H 4.8295 -2.6847 1.2920 H 1 UNL1 0.1720 31 H 6.0000 -0.5795 0.6392 H 1 UNL1 0.1905 @BOND 1 6 8 2 2 2 13 2 3 27 18 1 4 24 14 1 5 25 15 1 6 13 14 ar 7 13 9 ar 8 8 5 2 9 8 21 1 10 14 11 ar 11 4 7 2 12 15 9 ar 13 15 17 ar 14 18 21 ar 15 18 12 ar 16 9 10 ar 17 21 23 ar 18 11 12 1 19 11 1 ar 20 7 17 1 21 7 3 2 22 17 19 ar 23 12 20 ar 24 10 1 ar 25 10 16 ar 26 19 16 ar 27 19 28 1 28 16 26 1 29 23 31 1 30 23 22 ar 31 20 22 ar 32 20 29 1 33 22 30 1