@MOLECULE 2-iodoaniline 14 14 0 0 0 SMALL USER_CHARGES @ATOM 1 I -1.4052 0.0905 -0.0001 I 1 UNL111111 -0.0266 2 N 0.9799 -2.2559 -0.0013 N.pl3 1 UNL111111 -0.6343 3 C 1.4978 -0.9777 0.0008 C.ar 1 UNL111111 0.2872 4 C 0.7045 0.1868 0.0006 C.ar 1 UNL111111 -0.2234 5 C 2.9070 -0.8319 0.0002 C.ar 1 UNL111111 -0.3037 6 C 1.2965 1.4467 0.0001 C.ar 1 UNL111111 -0.0579 7 C 3.4816 0.4271 -0.0003 C.ar 1 UNL111111 -0.0435 8 C 2.6815 1.5719 -0.0002 C.ar 1 UNL111111 -0.2491 9 H 3.5361 -1.7173 -0.0000 H 1 UNL111111 0.1624 10 H 0.6886 2.3547 0.0001 H 1 UNL111111 0.1599 11 H 4.5680 0.5276 -0.0005 H 1 UNL111111 0.1511 12 H 3.1394 2.5569 -0.0003 H 1 UNL111111 0.1605 13 H 1.5909 -3.0422 0.0018 H 1 UNL111111 0.3074 14 H 0.0060 -2.4469 0.0090 H 1 UNL111111 0.3102 @BOND 1 2 3 1 2 2 13 1 3 2 14 1 4 11 7 1 5 12 8 1 6 7 8 ar 7 7 5 ar 8 8 6 ar 9 1 4 1 10 9 5 1 11 6 10 1 12 6 4 ar 13 5 3 ar 14 4 3 ar