@MOLECULE 3,5-dibromo-4-nitrosobenzenesulfonate 14 14 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 BR 0.9047 3.0359 0.0212 Br 1 UNL1 0.0592 2 BR 1.7994 -2.6199 0.0388 Br 1 UNL1 0.0563 3 S -3.3769 -0.5468 0.0269 S.3 1 UNL1 2.2860 4 O -3.8438 -0.4298 1.3742 O.3 1 UNL1 -0.8303 5 O -3.6746 -1.6596 -0.8245 O.3 1 UNL1 -0.8297 6 O -3.9247 0.7831 -0.7819 O.3 1 UNL1 -0.3347 7 O 3.3780 0.0894 -0.5084 O.2 1 UNL1 -0.0254 8 N 2.5811 0.4680 0.2713 N.2 1 UNL1 0.0677 9 C -1.6420 -0.2690 0.0188 C.ar 1 UNL1 -0.4609 10 C -0.6892 -1.2522 0.0300 C.ar 1 UNL1 0.1472 11 C -1.0434 0.9620 0.0183 C.ar 1 UNL1 0.1261 12 C 0.2839 1.2726 0.0326 C.ar 1 UNL1 -0.1309 13 C 0.6706 -1.1296 0.0423 C.ar 1 UNL1 -0.1494 14 C 1.1778 0.1836 0.0567 C.ar 1 UNL1 0.0187 @BOND 1 5 3 1 2 6 3 1 3 7 8 2 4 11 9 ar 5 11 12 ar 6 9 3 1 7 9 10 ar 8 1 12 1 9 3 4 1 10 10 13 ar 11 12 14 ar 12 2 13 1 13 13 14 ar 14 14 8 1