@MOLECULE 2,5-diiodobenzonitrile 13 13 0 0 0 SMALL USER_CHARGES @ATOM 1 I -3.3761 0.3607 0.0002 I 1 UNL111111 0.0610 2 I 3.6214 0.0757 0.0002 I 1 UNL111111 0.0367 3 C -0.6147 -0.9903 -0.0000 C.ar 1 UNL111111 -0.0324 4 C -1.2650 0.2473 -0.0003 C.ar 1 UNL111111 -0.0477 5 C 0.7866 -1.0393 0.0001 C.ar 1 UNL111111 -0.1112 6 C -1.3130 -2.2293 -0.0003 C.1 1 UNL111111 0.0955 7 C 1.5088 0.1476 -0.0005 C.ar 1 UNL111111 -0.0824 8 C -0.5293 1.4302 -0.0012 C.ar 1 UNL111111 -0.1531 9 C 0.8639 1.3827 -0.0014 C.ar 1 UNL111111 -0.1128 10 H 1.2809 -2.0160 0.0008 H 1 UNL111111 0.1844 11 N -1.8610 -3.2481 -0.0008 N.1 1 UNL111111 -0.1921 12 H -1.0214 2.4065 -0.0013 H 1 UNL111111 0.1789 13 H 1.4249 2.3209 -0.0025 H 1 UNL111111 0.1752 @BOND 1 13 9 1 2 9 8 ar 3 9 7 ar 4 12 8 1 5 8 4 ar 6 11 6 3 7 7 5 ar 8 7 2 1 9 6 3 1 10 4 3 ar 11 4 1 1 12 3 5 ar 13 5 10 1