@MOLECULE (2e,4e)-2,4-dichloro-2,4-hexadienedioic acid 16 15 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O 1.8462 -0.8201 1.7423 O.2 1 UNL1 -0.4419 2 O -2.6376 1.6904 -0.0453 O.2 1 UNL1 -0.5055 3 O 2.9619 -0.9007 -0.1988 O.3 1 UNL1 -0.5176 4 O -4.2303 0.2445 0.5469 O.3 1 UNL1 -0.5356 5 C -0.8834 -0.6377 -0.3417 C.2 1 UNL1 0.1159 6 C 1.2169 0.6263 -0.0763 C.2 1 UNL1 -0.0479 7 C 1.9952 -0.4239 0.6190 C.2 1 UNL1 0.6104 8 C -2.9755 0.5464 0.1318 C.2 1 UNL1 0.6507 9 H 3.5203 -1.6066 0.2233 H 1 UNL1 0.3597 10 H -4.7976 1.0457 0.6902 H 1 UNL1 0.3595 11 CL -0.0631 -2.1243 -0.5741 Cl 1 UNL1 -0.0446 12 CL 2.1005 2.0592 -0.2758 Cl 1 UNL1 0.0145 13 C -0.0487 0.5387 -0.4901 C.2 1 UNL1 -0.1655 14 C -2.1902 -0.6781 -0.0586 C.2 1 UNL1 -0.2924 15 H -0.5557 1.4060 -0.9614 H 1 UNL1 0.2262 16 H -2.7508 -1.6153 0.0523 H 1 UNL1 0.2138 @BOND 1 15 13 1 2 11 5 1 3 13 5 1 4 13 6 2 5 5 14 2 6 12 6 1 7 3 9 1 8 3 7 1 9 6 7 1 10 14 16 1 11 14 8 1 12 2 8 2 13 8 4 1 14 4 10 1 15 7 1 2