@MOLECULE aminoacetone 12 11 0 0 0 SMALL USER_CHARGES @ATOM 1 O -0.3994 1.2923 0.0005 O.2 1 UNL11111111 -0.4559 2 N 1.9765 -0.0668 -0.0012 N.3 1 UNL11111111 -0.5974 3 C 0.7055 -0.8067 0.0016 C.3 1 UNL11111111 -0.2196 4 C -0.5217 0.0936 0.0005 C.2 1 UNL11111111 0.4479 5 C -1.8574 -0.5801 -0.0010 C.3 1 UNL11111111 -0.5547 6 H 0.6876 -1.4771 0.8917 H 1 UNL11111111 0.1679 7 H 0.6863 -1.4808 -0.8858 H 1 UNL11111111 0.1679 8 H -1.9927 -1.2143 -0.8871 H 1 UNL11111111 0.1756 9 H -1.9945 -1.2139 0.8851 H 1 UNL11111111 0.1756 10 H -2.6769 0.1570 -0.0016 H 1 UNL11111111 0.1861 11 H 2.0543 0.5280 0.8125 H 1 UNL11111111 0.2534 12 H 2.0525 0.5249 -0.8174 H 1 UNL11111111 0.2533 @BOND 1 8 5 1 2 7 3 1 3 12 2 1 4 10 5 1 5 2 3 1 6 2 11 1 7 5 4 1 8 5 9 1 9 4 1 2 10 4 3 1 11 3 6 1