@MOLECULE 2-methyl-5-acetonyl-7-hydroxychromone 29 30 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O -2.5613 -0.0516 0.2189 O.2 1 UNL1 -0.2821 2 O -0.3884 4.0283 0.0669 O.3 1 UNL1 -0.4539 3 O 0.7618 -2.2187 -0.6771 O.2 1 UNL1 -0.5164 4 O 2.7063 -0.1709 1.5041 O.2 1 UNL1 -0.4634 5 C 0.9836 0.6796 -0.5000 C.ar 1 UNL1 0.2464 6 C -0.1848 -0.0855 -0.3118 C.ar 1 UNL1 -0.3626 7 C -1.3721 0.5882 0.0031 C.ar 1 UNL1 0.3303 8 C 2.2839 0.0235 -0.8277 C.3 1 UNL1 -0.4191 9 C 0.9348 2.0664 -0.3878 C.ar 1 UNL1 -0.4001 10 C -0.2151 -1.5505 -0.4068 C.ar 1 UNL1 0.5413 11 C -1.4617 1.9730 0.1275 C.ar 1 UNL1 -0.3729 12 C -0.2807 2.6882 -0.0681 C.ar 1 UNL1 0.3876 13 C -2.5939 -1.4181 0.1411 C.ar 1 UNL1 0.3310 14 C -1.5177 -2.1641 -0.1531 C.ar 1 UNL1 -0.4577 15 C 2.8688 -0.6430 0.4091 C.2 1 UNL1 0.5374 16 C -3.9761 -1.8643 0.4316 C.3 1 UNL1 -0.4708 17 C 3.6682 -1.8843 0.1756 C.3 1 UNL1 -0.5488 18 H 2.1423 -0.7310 -1.6387 H 1 UNL1 0.2044 19 H 3.0273 0.7466 -1.2230 H 1 UNL1 0.1728 20 H 1.8325 2.6609 -0.5181 H 1 UNL1 0.1741 21 H -2.3944 2.4711 0.3736 H 1 UNL1 0.2011 22 H -1.5520 -3.2490 -0.2122 H 1 UNL1 0.1999 23 H -4.7024 -1.4207 -0.2710 H 1 UNL1 0.1815 24 H -4.2936 -1.5603 1.4446 H 1 UNL1 0.1843 25 H -4.0791 -2.9581 0.3676 H 1 UNL1 0.1774 26 H 4.2214 -2.1847 1.0766 H 1 UNL1 0.1760 27 H 2.9885 -2.7204 -0.0799 H 1 UNL1 0.2045 28 H 4.3811 -1.7819 -0.6485 H 1 UNL1 0.1648 29 H 0.4813 4.4907 -0.0415 H 1 UNL1 0.3330 @BOND 1 18 8 1 2 19 8 1 3 8 5 1 4 8 15 1 5 3 10 2 6 28 17 1 7 20 9 1 8 5 9 ar 9 5 6 ar 10 10 6 ar 11 10 14 ar 12 9 12 ar 13 6 7 ar 14 23 16 1 15 22 14 1 16 14 13 ar 17 27 17 1 18 12 2 1 19 12 11 ar 20 29 2 1 21 7 11 ar 22 7 1 ar 23 11 21 1 24 13 1 ar 25 13 16 1 26 17 15 1 27 17 26 1 28 25 16 1 29 15 4 2 30 16 24 1