@MOLECULE 3,5-diiodopyridin-1-ium-3-id-4-one 12 12 0 0 0 SMALL USER_CHARGES @ATOM 1 I 3.0991 -0.3349 0.0014 I 1 UNL111111 0.0662 2 I -3.0992 -0.3348 0.0014 I 1 UNL111111 0.0664 3 O -0.0004 -1.3930 -0.0111 O.2 1 UNL111111 -0.4272 4 N 0.0005 2.6804 -0.0016 N.4 1 UNL111111 -0.3909 5 C -0.0002 -0.1821 -0.0056 C.2 1 UNL111111 0.4672 6 C 1.2264 0.6306 -0.0022 C.3 1 UNL111111 -0.2908 7 C -1.2266 0.6309 -0.0022 C.3 1 UNL111111 -0.2906 8 C 1.2007 1.9885 -0.0010 C.3 1 UNL111111 0.0600 9 C -1.1999 1.9887 -0.0010 C.3 1 UNL111111 0.0599 10 H 2.0997 2.6209 0.0003 H 1 UNL111111 0.1792 11 H -2.0983 2.6219 0.0003 H 1 UNL111111 0.1791 12 H 0.0006 3.6909 -0.0013 H 1 UNL111111 0.3215 @BOND 1 3 5 2 2 5 7 1 3 5 6 1 4 7 9 1 5 7 2 1 6 6 8 1 7 6 1 1 8 4 12 1 9 4 8 1 10 4 9 1 11 8 10 1 12 9 11 1