@MOLECULE 2,4,6-trichlorophenol 13 13 0 0 0 SMALL USER_CHARGES @ATOM 1 CL -1.3694 -2.6415 0.0000 Cl 1 UNL11111111 -0.0021 2 CL -1.2433 2.7140 0.0001 Cl 1 UNL11111111 -0.0370 3 CL 3.2955 -0.0701 0.0002 Cl 1 UNL11111111 -0.0469 4 O -2.5207 -0.0473 0.0001 O.3 1 UNL11111111 -0.4097 5 C -1.1750 0.0307 0.0000 C.ar 1 UNL11111111 0.2359 6 C -0.4888 -1.1944 0.0000 C.ar 1 UNL11111111 -0.0688 7 C -0.4365 1.2172 -0.0003 C.ar 1 UNL11111111 -0.1225 8 C 0.8972 -1.2371 -0.0001 C.ar 1 UNL11111111 -0.1298 9 C 0.9535 1.2032 -0.0003 C.ar 1 UNL11111111 -0.1218 10 C 1.5926 -0.0300 -0.0003 C.ar 1 UNL11111111 -0.0265 11 H 1.4292 -2.1939 -0.0001 H 1 UNL11111111 0.1951 12 H 1.5243 2.1370 -0.0004 H 1 UNL11111111 0.1940 13 H -2.9617 0.8458 0.0002 H 1 UNL11111111 0.3402 @BOND 1 12 9 1 2 7 9 ar 3 7 5 ar 4 7 2 1 5 10 9 ar 6 10 8 ar 7 10 3 1 8 11 8 1 9 8 6 ar 10 1 6 1 11 6 5 ar 12 5 4 1 13 4 13 1