@MOLECULE 3-iodo-benzyl alcohol 16 16 0 0 0 SMALL USER_CHARGES @ATOM 1 C -2.5067 0.0342 -0.3187 C.ar 1 UNL111111 -0.0075 2 C -2.8029 -1.3119 -0.1037 C.ar 1 UNL111111 -0.1397 3 C -1.1845 0.4809 -0.2805 C.ar 1 UNL111111 -0.1530 4 C -1.7737 -2.2195 0.1360 C.ar 1 UNL111111 -0.1373 5 C -0.1710 -0.4417 -0.0416 C.ar 1 UNL111111 -0.0602 6 C -0.4471 -1.7901 0.1661 C.ar 1 UNL111111 -0.1542 7 I 1.8357 0.2248 0.0137 I 1 UNL111111 -0.0183 8 O -3.9805 1.4756 0.7346 O.3 1 UNL111111 -0.5228 9 C -3.6160 1.0192 -0.5623 C.3 1 UNL111111 -0.0166 10 H -3.8384 -1.6508 -0.1100 H 1 UNL111111 0.1611 11 H -0.9751 1.5413 -0.4246 H 1 UNL111111 0.1699 12 H -2.0043 -3.2708 0.3061 H 1 UNL111111 0.1585 13 H 0.3437 -2.5156 0.3564 H 1 UNL111111 0.1662 14 H -4.7049 2.1294 0.6672 H 1 UNL111111 0.3067 15 H -4.4959 0.5517 -1.0433 H 1 UNL111111 0.1235 16 H -3.2871 1.8832 -1.1705 H 1 UNL111111 0.1237 @BOND 1 16 9 1 2 15 9 1 3 9 1 1 4 9 8 1 5 11 3 1 6 1 3 ar 7 1 2 ar 8 3 5 ar 9 10 2 1 10 2 4 ar 11 5 7 1 12 5 6 ar 13 4 6 ar 14 4 12 1 15 6 13 1 16 14 8 1