@MOLECULE acetonylacetone 18 17 0 0 0 SMALL GASTEIGER @ATOM 1 O -2.0611 1.3058 0.0146 O.2 1 UNL111111111 -0.4661 2 O 2.0580 -1.3061 0.0113 O.2 1 UNL111111111 -0.4661 3 C -0.5500 -0.5272 0.0066 C.3 1 UNL111111111 -0.3680 4 C 0.5510 0.5298 -0.0134 C.3 1 UNL111111111 -0.3678 5 C -1.9156 0.1093 0.0029 C.2 1 UNL111111111 0.4987 6 C 1.9159 -0.1092 -0.0017 C.2 1 UNL111111111 0.4987 7 C -3.0864 -0.8286 -0.0142 C.3 1 UNL111111111 -0.5547 8 C 3.0883 0.8265 -0.0067 C.3 1 UNL111111111 -0.5547 9 H -0.4339 -1.1856 0.8946 H 1 UNL111111111 0.1799 10 H -0.4384 -1.2150 -0.8590 H 1 UNL111111111 0.1794 11 H 0.4386 1.1859 -0.9029 H 1 UNL111111111 0.1790 12 H 0.4380 1.2190 0.8510 H 1 UNL111111111 0.1800 13 H -3.0885 -1.4896 0.8622 H 1 UNL111111111 0.1748 14 H -4.0392 -0.2768 -0.0099 H 1 UNL111111111 0.1812 15 H -3.0823 -1.4646 -0.9089 H 1 UNL111111111 0.1748 16 H 3.0908 1.4761 0.8783 H 1 UNL111111111 0.1751 17 H 4.0401 0.2730 -0.0081 H 1 UNL111111111 0.1812 18 H 3.0864 1.4742 -0.8930 H 1 UNL111111111 0.1747 @BOND 1 1 5 2 2 2 6 2 3 3 4 1 4 3 5 1 5 3 9 1 6 3 10 1 7 4 6 1 8 4 11 1 9 4 12 1 10 5 7 1 11 6 8 1 12 7 13 1 13 7 14 1 14 7 15 1 15 8 16 1 16 8 17 1 17 8 18 1