@MOLECULE methyl acetate 11 10 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C 1.7483 0.6326 -0.0000 C.3 1 UNL1 -0.5136 2 H 2.6180 -0.0433 0.0014 H 1 UNL1 0.1861 3 H 1.8231 1.2816 -0.8868 H 1 UNL1 0.1856 4 H 1.8215 1.2868 0.8828 H 1 UNL1 0.1856 5 C 0.4755 -0.1422 0.0001 C.2 1 UNL1 0.6201 6 O 0.3338 -1.3366 0.0001 O.2 1 UNL1 -0.5040 7 O -0.5792 0.7175 0.0003 O.3 1 UNL1 -0.4168 8 C -1.8720 0.1216 -0.0002 C.3 1 UNL1 -0.1695 9 H -2.5431 0.9883 0.0031 H 1 UNL1 0.1458 10 H -2.0084 -0.4863 -0.9009 H 1 UNL1 0.1404 11 H -2.0071 -0.4920 0.8968 H 1 UNL1 0.1405 @BOND 1 10 8 1 2 3 1 1 3 8 7 1 4 8 9 1 5 8 11 1 6 1 5 1 7 1 2 1 8 1 4 1 9 5 6 2 10 5 7 1