@MOLECULE (2e,4z)-2-chloro-2,4-hexadienedioic acid 16 15 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O 1.7340 2.1161 -0.1560 O.2 1 UNL1 -0.4993 2 O -2.7354 -1.2803 -0.2182 O.2 1 UNL1 -0.5120 3 O 3.3997 0.6410 -0.1631 O.3 1 UNL1 -0.5148 4 O -4.3723 0.2237 -0.1209 O.3 1 UNL1 -0.5485 5 C 2.0883 0.9645 -0.0867 C.2 1 UNL1 0.6295 6 C 1.2312 -0.2163 0.0905 C.2 1 UNL1 -0.1188 7 C -3.0605 -0.1279 -0.0724 C.2 1 UNL1 0.6426 8 H 3.9878 1.4318 -0.2897 H 1 UNL1 0.3605 9 H -4.9789 -0.5419 -0.2858 H 1 UNL1 0.3579 10 CL 2.0301 -1.7175 0.0378 Cl 1 UNL1 0.0009 11 C -0.0960 -0.1980 0.2793 C.2 1 UNL1 -0.0913 12 C -0.8972 1.0166 0.3335 C.2 1 UNL1 -0.0608 13 C -2.2281 1.0553 0.1741 C.2 1 UNL1 -0.2493 14 H -0.6512 -1.1494 0.3994 H 1 UNL1 0.2133 15 H -0.3469 1.9569 0.5149 H 1 UNL1 0.1953 16 H -2.7815 2.0015 0.2194 H 1 UNL1 0.1949 @BOND 1 8 3 1 2 9 4 1 3 2 7 2 4 3 5 1 5 1 5 2 6 4 7 1 7 5 6 1 8 7 13 1 9 10 6 1 10 6 11 2 11 13 16 1 12 13 12 2 13 11 12 1 14 11 14 1 15 12 15 1