@MOLECULE propyl 2-(3,5-diiodo-4-oxo-pyridin-1-ium-3-id-1-yl)acetate 27 27 0 0 0 SMALL USER_CHARGES @ATOM 1 I -1.8372 -3.0536 -0.1217 I 1 UNL111 0.0638 2 I -1.6261 3.1381 -0.1122 I 1 UNL111 0.0642 3 O 4.6390 -0.1406 0.5024 O.3 1 UNL111 -0.4402 4 O 2.9842 -0.0103 -1.0227 O.2 1 UNL111 -0.4502 5 O -2.7782 0.0780 -0.3280 O.2 1 UNL111 -0.4274 6 N 1.0602 -0.0546 1.0141 N.4 1 UNL111 -0.2916 7 C 2.4755 -0.1012 1.3664 C.3 1 UNL111 -0.1675 8 C 6.9512 -0.1669 0.1836 C.3 1 UNL111 -0.2808 9 C 5.6168 -0.1197 -0.5561 C.3 1 UNL111 -0.0008 10 C 3.3478 -0.0774 0.1174 C.2 1 UNL111 0.5587 11 C 0.3961 -1.2348 0.7116 C.3 1 UNL111 0.0689 12 C 0.4772 1.1690 0.7160 C.3 1 UNL111 0.0705 13 C 8.0989 -0.1467 -0.8209 C.3 1 UNL111 -0.4361 14 C -0.8836 -1.2132 0.2585 C.3 1 UNL111 -0.2877 15 C -0.8007 1.2357 0.2626 C.3 1 UNL111 -0.2877 16 C -1.6194 0.0381 0.0204 C.2 1 UNL111 0.4697 17 H 2.7433 0.7608 2.0291 H 1 UNL111 0.1926 18 H 2.7018 -1.0164 1.9701 H 1 UNL111 0.1927 19 H 7.0292 0.6878 0.8844 H 1 UNL111 0.1519 20 H 7.0032 -1.0734 0.8187 H 1 UNL111 0.1519 21 H 5.4795 0.8053 -1.1425 H 1 UNL111 0.1396 22 H 5.4472 -0.9982 -1.2023 H 1 UNL111 0.1392 23 H 0.9650 -2.1578 0.8881 H 1 UNL111 0.1784 24 H 1.1083 2.0503 0.8943 H 1 UNL111 0.1788 25 H 8.0934 0.7672 -1.4274 H 1 UNL111 0.1492 26 H 9.0696 -0.1914 -0.3111 H 1 UNL111 0.1507 27 H 8.0546 -1.0008 -1.5076 H 1 UNL111 0.1492 @BOND 1 27 13 1 2 25 13 1 3 22 9 1 4 21 9 1 5 4 10 2 6 13 26 1 7 13 8 1 8 9 8 1 9 9 3 1 10 5 16 2 11 1 14 1 12 2 15 1 13 16 14 1 14 16 15 1 15 10 3 1 16 10 7 1 17 8 20 1 18 8 19 1 19 14 11 1 20 15 12 1 21 11 23 1 22 11 6 1 23 12 24 1 24 12 6 1 25 6 7 1 26 7 18 1 27 7 17 1