@MOLECULE p-iodophenoxyacetic acid 19 19 0 0 0 SMALL USER_CHARGES @ATOM 1 I -3.0675 0.0776 0.1239 I 1 UNL111111 -0.0128 2 O 3.0947 -0.5110 -0.4855 O.3 1 UNL111111 -0.2835 3 O 6.0129 1.1268 0.5650 O.3 1 UNL111111 -0.5794 4 O 5.6270 -1.0665 0.3048 O.2 1 UNL111111 -0.4397 5 C 1.7504 -0.2805 -0.4047 C.ar 1 UNL111111 0.2344 6 C 1.1433 0.9658 -0.5528 C.ar 1 UNL111111 -0.2769 7 C 1.0005 -1.4436 -0.1814 C.ar 1 UNL111111 -0.2191 8 C 3.9114 0.6259 -0.2235 C.3 1 UNL111111 -0.1325 9 C -0.2409 1.0614 -0.4085 C.ar 1 UNL111111 -0.0878 10 C -0.3782 -1.3429 -0.0487 C.ar 1 UNL111111 -0.0917 11 C -0.9808 -0.0860 -0.1431 C.ar 1 UNL111111 -0.1253 12 C 5.2367 0.0606 0.2238 C.2 1 UNL111111 0.6193 13 H 1.7208 1.8556 -0.7851 H 1 UNL111111 0.1690 14 H 1.5080 -2.4054 -0.1038 H 1 UNL111111 0.1855 15 H 4.0251 1.2087 -1.1601 H 1 UNL111111 0.1712 16 H 3.4830 1.2734 0.5706 H 1 UNL111111 0.1743 17 H -0.7117 2.0419 -0.5070 H 1 UNL111111 0.1643 18 H -0.9677 -2.2446 0.1408 H 1 UNL111111 0.1695 19 H 6.9184 0.8884 0.8702 H 1 UNL111111 0.3613 @BOND 1 15 8 1 2 13 6 1 3 6 9 ar 4 6 5 ar 5 17 9 1 6 2 5 1 7 2 8 1 8 9 11 ar 9 5 7 ar 10 8 12 1 11 8 16 1 12 7 14 1 13 7 10 ar 14 11 10 ar 15 11 1 1 16 10 18 1 17 12 4 2 18 12 3 1 19 3 19 1