@MOLECULE acetic acid 8 7 0 0 0 SMALL USER_CHARGES @ATOM 1 C -0.0333 -0.1163 -0.0000 C.2 1 UNL11111111 0.4183 2 C 1.4501 -0.0343 -0.0001 C.3 1 UNL11111111 -0.6635 3 H 1.8223 0.5198 -0.8775 H 1 UNL11111111 0.2351 4 H 1.8228 0.4992 0.8899 H 1 UNL11111111 0.2590 5 H 1.9039 -1.0380 -0.0115 H 1 UNL11111111 0.2281 6 O -0.7392 -1.0894 0.0000 O.2 1 UNL11111111 -0.3399 7 O -0.5755 1.1322 -0.0000 O.3 1 UNL11111111 -0.4596 8 H -1.5634 1.1354 0.0001 H 1 UNL11111111 0.3226 @BOND 1 3 2 1 2 5 2 1 3 2 1 1 4 2 4 1 5 1 6 2 6 1 7 1 7 7 8 1