@MOLECULE 2-(3,4-dichlorophenoxy)-5-nitrobenzonitrile 20 21 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 CL -4.7742 1.3788 -0.0215 Cl 1 UNL1 -0.0219 2 CL -4.6287 -1.7219 0.6238 Cl 1 UNL1 0.0256 3 O 0.2073 1.6258 -0.0223 O.3 1 UNL1 0.1234 4 O 6.1882 0.2666 1.0612 O.2 1 UNL1 -0.3214 5 O 5.4313 -1.7137 0.6124 O.2 1 UNL1 -0.3394 6 N 5.3623 -0.5006 0.6160 N.pl3 1 UNL1 0.6471 7 N 0.3344 -1.4057 -2.5248 N.1 1 UNL1 -0.0946 8 C 1.3710 1.1532 -0.2178 C.ar 1 UNL1 0.3015 9 C -0.8790 0.7622 0.0803 C.ar 1 UNL1 -0.0239 10 C 1.7988 -0.2159 -0.7858 C.ar 1 UNL1 -0.0668 11 C 2.5796 1.8557 -0.0343 C.ar 1 UNL1 -0.1528 12 C 4.1800 0.0790 0.0103 C.ar 1 UNL1 -0.0781 13 C 3.0626 -0.5219 -0.4758 C.ar 1 UNL1 0.2214 14 C 3.7529 1.4390 0.0398 C.ar 1 UNL1 0.1146 15 C -2.1117 1.3282 -0.0492 C.ar 1 UNL1 -0.1859 16 C -0.8858 -0.5944 0.3561 C.ar 1 UNL1 -0.1416 17 C -3.2746 0.6039 0.1231 C.ar 1 UNL1 -0.0562 18 C -1.9600 -1.2392 0.5131 C.ar 1 UNL1 -0.0976 19 C -3.2555 -0.7882 0.4201 C.ar 1 UNL1 0.0616 20 C 0.9791 -0.8636 -1.7315 C.1 1 UNL1 0.0847 @BOND 1 7 20 3 2 20 10 1 3 10 13 ar 4 10 8 ar 5 13 12 ar 6 8 11 ar 7 8 3 1 8 15 9 ar 9 15 17 ar 10 11 14 ar 11 3 9 1 12 1 17 1 13 12 14 ar 14 12 6 1 15 9 16 ar 16 17 19 ar 17 16 18 ar 18 19 18 ar 19 19 2 1 20 5 6 2 21 6 4 2