@MOLECULE 4-iodophenol 13 13 0 0 0 SMALL USER_CHARGES @ATOM 1 I -1.6886 0.0016 0.0005 I 1 UNL111111 -0.0173 2 O 4.5235 0.0739 0.0048 O.3 1 UNL111111 -0.4594 3 C 3.1703 -0.0130 0.0005 C.ar 1 UNL111111 0.2967 4 C 2.4974 1.2154 -0.0045 C.ar 1 UNL111111 -0.2367 5 C 2.4920 -1.2330 -0.0051 C.ar 1 UNL111111 -0.3021 6 C 1.1094 1.2121 -0.0016 C.ar 1 UNL111111 -0.0839 7 C 1.0991 -1.2211 -0.0012 C.ar 1 UNL111111 -0.0744 8 C 0.4240 -0.0044 -0.0003 C.ar 1 UNL111111 -0.1348 9 H 3.0642 2.1460 -0.0099 H 1 UNL111111 0.1834 10 H 3.0316 -2.1752 -0.0095 H 1 UNL111111 0.1677 11 H 0.5777 2.1661 -0.0001 H 1 UNL111111 0.1670 12 H 0.5650 -2.1734 -0.0061 H 1 UNL111111 0.1648 13 H 4.9543 -0.8154 0.0275 H 1 UNL111111 0.3288 @BOND 1 9 4 1 2 10 5 1 3 12 7 1 4 11 6 1 5 5 7 ar 6 5 3 ar 7 4 6 ar 8 4 3 ar 9 7 8 ar 10 6 8 ar 11 3 2 1 12 8 1 1 13 2 13 1