@MOLECULE 2',4'-difluoro-4-hydroxy-5-iodo-3-biphenylcarboxylic acid 26 27 0 0 0 SMALL USER_CHARGES @ATOM 1 I -2.7876 1.6352 0.0131 I 1 UNL111111 0.0277 2 F 2.5866 0.1484 -2.1179 F 1 UNL111111 -0.1487 3 F 6.3521 1.3305 0.3654 F 1 UNL111111 -0.1615 4 O -2.8027 -1.7930 -0.0764 O.3 1 UNL111111 -0.4128 5 O 0.1015 -4.3129 -0.5368 O.3 1 UNL111111 -0.5610 6 O -1.7664 -4.1847 0.6704 O.2 1 UNL111111 -0.4641 7 C 1.0680 -0.3831 0.1578 C.ar 1 UNL111111 -0.0940 8 C 2.4589 0.0684 0.2174 C.ar 1 UNL111111 -0.1178 9 C 0.7798 -1.7488 0.1413 C.ar 1 UNL111111 -0.0016 10 C -0.5437 -2.1759 0.0985 C.ar 1 UNL111111 -0.2309 11 C 0.0344 0.5557 0.1204 C.ar 1 UNL111111 -0.0397 12 C -1.5868 -1.2298 0.0341 C.ar 1 UNL111111 0.3367 13 C 3.1835 0.3238 -0.9525 C.ar 1 UNL111111 0.2379 14 C 3.0956 0.2525 1.4476 C.ar 1 UNL111111 -0.0606 15 C -1.2926 0.1407 0.0602 C.ar 1 UNL111111 -0.2510 16 C 4.5083 0.7541 -0.9423 C.ar 1 UNL111111 -0.2970 17 C 4.4188 0.6816 1.5074 C.ar 1 UNL111111 -0.2564 18 C 5.0950 0.9230 0.3108 C.ar 1 UNL111111 0.2425 19 C -0.8582 -3.6111 0.1340 C.2 1 UNL111111 0.6588 20 H 1.5923 -2.4843 0.1601 H 1 UNL111111 0.1855 21 H 0.2979 1.6182 0.1358 H 1 UNL111111 0.1721 22 H 2.5456 0.0555 2.3707 H 1 UNL111111 0.1685 23 H 5.0556 0.9473 -1.8645 H 1 UNL111111 0.1980 24 H 4.9118 0.8239 2.4680 H 1 UNL111111 0.1812 25 H -3.5598 -1.1528 -0.0742 H 1 UNL111111 0.3339 26 H -0.0678 -5.2869 -0.5477 H 1 UNL111111 0.3543 @BOND 1 2 13 1 2 23 16 1 3 13 16 ar 4 13 8 ar 5 16 18 ar 6 26 5 1 7 5 19 1 8 4 25 1 9 4 12 1 10 1 15 1 11 12 15 ar 12 12 10 ar 13 15 11 ar 14 10 19 1 15 10 9 ar 16 11 21 1 17 11 7 ar 18 19 6 2 19 9 7 ar 20 9 20 1 21 7 8 1 22 8 14 ar 23 18 3 1 24 18 17 ar 25 14 17 ar 26 14 22 1 27 17 24 1