@MOLECULE 3-chloro-6-hydroxy-2-oxo-3,5-hexadienoic acid 14 12 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 CL -0.7162 0.0897 -1.2276 Cl 1 UNL1 0.0012 2 O -1.2639 3.0877 0.5783 O.2 1 UNL1 -0.1751 3 O -2.0214 -1.1530 1.5462 O.2 1 UNL1 -0.3337 4 O -2.8237 -2.1532 -0.4068 O.2 1 UNL1 -0.3178 5 O 4.0653 -1.5083 0.2189 O.2 1 UNL1 -0.4227 6 C 0.1032 1.1614 -0.1854 C.2 1 UNL1 -0.3395 7 C 1.4661 0.9006 0.1795 C.2 1 UNL1 -0.0209 8 C -0.6192 2.1970 0.2275 C.1 1 UNL1 0.4783 9 C 2.1267 -0.2302 -0.1126 C.2 1 UNL1 -0.3038 10 C -2.4161 -1.6542 0.5671 C.1 1 UNL1 0.6516 11 C 3.5275 -0.4293 0.3021 C.2 1 UNL1 0.3360 12 H 1.9602 1.7064 0.7402 H 1 UNL1 0.1509 13 H 1.6843 -1.0678 -0.6528 H 1 UNL1 0.1893 14 H 4.0815 0.4371 0.6942 H 1 UNL1 0.1062 @BOND 1 1 6 1 2 13 9 1 3 4 10 2 4 6 7 1 5 6 8 2 6 9 7 2 7 9 11 1 8 7 12 1 9 5 11 2 10 8 2 2 11 11 14 1 12 10 3 2