@MOLECULE acetone 10 9 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 H -2.1567 -0.0276 0.0007 H 1 UNL1 0.1807 2 C -1.2776 -0.6903 0.0000 C.3 1 UNL1 -0.5540 3 H -1.3540 -1.3347 0.8850 H 1 UNL1 0.1718 4 H -1.3538 -1.3332 -0.8857 H 1 UNL1 0.1718 5 C -0.0001 0.0984 -0.0000 C.2 1 UNL1 0.5182 6 O 0.0005 1.3030 0.0000 O.2 1 UNL1 -0.4588 7 C 1.2772 -0.6913 0.0000 C.3 1 UNL1 -0.5539 8 H 1.3526 -1.3364 0.8840 H 1 UNL1 0.1717 9 H 1.3541 -1.3325 -0.8869 H 1 UNL1 0.1718 10 H 2.1555 -0.0270 0.0028 H 1 UNL1 0.1807 @BOND 1 9 7 1 2 4 2 1 3 6 5 2 4 2 5 1 5 2 1 1 6 2 3 1 7 5 7 1 8 7 10 1 9 7 8 1