@MOLECULE (4-hydroxy-3,5-diiodophenyl)acetic acid 19 19 0 0 0 SMALL USER_CHARGES @ATOM 1 I -3.0815 1.0765 -0.0365 I 1 UNL111111 0.0290 2 I 3.1114 1.0028 -0.0435 I 1 UNL111111 0.0529 3 O 0.1504 2.1072 -0.2451 O.3 1 UNL111111 -0.4439 4 O -0.0534 -5.5304 0.0449 O.3 1 UNL111111 -0.5763 5 O -0.1575 -3.8611 -1.4279 O.2 1 UNL111111 -0.4760 6 C -0.0250 -1.9329 0.6538 C.ar 1 UNL111111 -0.0442 7 C -0.0447 -3.3917 0.9751 C.3 1 UNL111111 -0.3439 8 C 1.1959 -1.2700 0.4986 C.ar 1 UNL111111 -0.0969 9 C -1.2217 -1.2382 0.4899 C.ar 1 UNL111111 -0.0886 10 C -1.2065 0.1203 0.1842 C.ar 1 UNL111111 -0.2135 11 C 1.2199 0.0829 0.1898 C.ar 1 UNL111111 -0.1549 12 C 0.0140 0.7914 0.0323 C.ar 1 UNL111111 0.2790 13 C -0.0925 -4.2082 -0.2823 C.2 1 UNL111111 0.6465 14 H -0.9127 -3.6581 1.6245 H 1 UNL111111 0.1937 15 H 0.8426 -3.6922 1.5822 H 1 UNL111111 0.1946 16 H 2.1223 -1.8392 0.6168 H 1 UNL111111 0.1738 17 H -2.1649 -1.7811 0.5982 H 1 UNL111111 0.1727 18 H -0.6962 2.5776 -0.4431 H 1 UNL111111 0.3380 19 H -0.0824 -6.1343 -0.7363 H 1 UNL111111 0.3582 @BOND 1 5 13 2 2 19 4 1 3 18 3 1 4 13 4 1 5 13 7 1 6 3 12 1 7 2 11 1 8 1 10 1 9 12 10 ar 10 12 11 ar 11 10 9 ar 12 11 8 ar 13 9 17 1 14 9 6 ar 15 8 16 1 16 8 6 ar 17 6 7 1 18 7 15 1 19 7 14 1