@MOLECULE dichloroacetic acid 8 7 0 0 0 SMALL GASTEIGER @ATOM 1 C -0.1804 0.0019 -0.5301 C.3 1 UNL1111111111 -0.1156 2 C 1.1855 -0.0070 0.1047 C.2 1 UNL1111111111 0.5880 3 O 1.4797 -0.0212 1.2648 O.2 1 UNL1111111111 -0.4140 4 CL -1.0292 -1.4354 0.0126 Cl 1 UNL1111111111 -0.0433 5 CL -1.0134 1.4447 0.0226 Cl 1 UNL1111111111 -0.0434 6 O 2.1104 0.0041 -0.8846 O.3 1 UNL1111111111 -0.5443 7 H -0.1662 0.0057 -1.6441 H 1 UNL1111111111 0.2068 8 H 3.0483 0.0001 -0.5591 H 1 UNL1111111111 0.3658 @BOND 1 1 2 1 2 2 3 2 3 1 4 1 4 1 5 1 5 2 6 1 6 1 7 1 7 6 8 1