@MOLECULE 3-hydroxy-3-methyl-2,4-pentanedione 19 18 0 0 0 SMALL GASTEIGER @ATOM 1 O -0.3512 1.7150 0.1337 O.3 1 UNL1111111111 -0.5450 2 O 1.8314 0.8074 -0.9901 O.2 1 UNL1111111111 -0.4574 3 O -1.1050 -1.6810 -0.1776 O.2 1 UNL1111111111 -0.4683 4 C -0.0349 0.3668 0.3853 C.3 1 UNL1111111111 0.0918 5 C 0.0159 0.1919 1.8972 C.3 1 UNL1111111111 -0.4615 6 C 1.3005 -0.0106 -0.2782 C.2 1 UNL1111111111 0.4563 7 C -1.1836 -0.4788 -0.1988 C.2 1 UNL1111111111 0.4768 8 C 1.8782 -1.3528 -0.0102 C.3 1 UNL1111111111 -0.5444 9 C -2.3517 0.2580 -0.7492 C.3 1 UNL1111111111 -0.5262 10 H 0.0612 -0.8659 2.1861 H 1 UNL1111111111 0.1665 11 H -0.8787 0.6305 2.3653 H 1 UNL1111111111 0.1721 12 H 0.8774 0.7128 2.3334 H 1 UNL1111111111 0.1640 13 H 1.1270 -2.1574 -0.1191 H 1 UNL1111111111 0.2052 14 H 2.2737 -1.4258 1.0138 H 1 UNL1111111111 0.1826 15 H 2.7079 -1.5819 -0.6980 H 1 UNL1111111111 0.1853 16 H -3.1447 -0.4226 -1.0903 H 1 UNL1111111111 0.1765 17 H -2.7813 0.9437 0.0001 H 1 UNL1111111111 0.1897 18 H -2.0570 0.8947 -1.5998 H 1 UNL1111111111 0.1888 19 H 0.3341 2.1363 -0.4440 H 1 UNL1111111111 0.3470 @BOND 1 1 4 1 2 1 19 1 3 2 6 2 4 3 7 2 5 4 5 1 6 4 6 1 7 4 7 1 8 5 10 1 9 5 11 1 10 5 12 1 11 6 8 1 12 7 9 1 13 8 13 1 14 8 14 1 15 8 15 1 16 9 16 1 17 9 17 1 18 9 18 1