@MOLECULE 3,5-diiodosalicylic acid 16 16 0 0 0 SMALL USER_CHARGES @ATOM 1 I -2.8968 1.1831 0.0021 I 1 UNL111111 0.0696 2 I 3.1280 0.9501 -0.0008 I 1 UNL111111 0.0213 3 O -2.3615 -1.9893 -0.0153 O.3 1 UNL111111 -0.4378 4 O 1.2045 -4.1641 0.0134 O.3 1 UNL111111 -0.5220 5 O -1.0192 -4.2740 -0.0032 O.2 1 UNL111111 -0.5561 6 C 0.0355 -2.1276 -0.0013 C.ar 1 UNL111111 -0.3284 7 C -1.1680 -1.3923 -0.0064 C.ar 1 UNL111111 0.3767 8 C 1.2645 -1.4544 0.0010 C.ar 1 UNL111111 0.0067 9 C -1.1310 0.0193 -0.0028 C.ar 1 UNL111111 -0.2091 10 C 1.2791 -0.0708 -0.0002 C.ar 1 UNL111111 -0.1791 11 C 0.0903 0.6718 -0.0007 C.ar 1 UNL111111 -0.0409 12 C -0.0157 -3.5857 0.0024 C.2 1 UNL111111 0.6817 13 H 2.1899 -2.0455 0.0036 H 1 UNL111111 0.1899 14 H 0.1336 1.7674 0.0009 H 1 UNL111111 0.1774 15 H -2.2768 -3.0063 -0.0143 H 1 UNL111111 0.3847 16 H 1.1594 -5.1591 0.0172 H 1 UNL111111 0.3653 @BOND 1 3 15 1 2 3 7 1 3 7 9 ar 4 7 6 ar 5 5 12 2 6 9 11 ar 7 9 1 1 8 6 8 ar 9 6 12 1 10 2 10 1 11 11 10 ar 12 11 14 1 13 10 8 ar 14 8 13 1 15 12 4 1 16 4 16 1