@MOLECULE 4-methyl-1-phenyl-1,3-pentanedione 28 28 0 0 0 SMALL GASTEIGER @ATOM 1 O -1.6341 0.3876 1.3772 O.2 1 UNL1111111111 -0.4440 2 O 0.7434 2.8903 -0.0489 O.2 1 UNL1111111111 -0.4071 3 C -2.4622 -0.6758 -0.5982 C.3 1 UNL1111111111 -0.1676 4 C -1.7275 0.4022 0.1778 C.2 1 UNL1111111111 0.4820 5 C -1.0981 1.5139 -0.6312 C.3 1 UNL1111111111 -0.5089 6 C -1.4205 -1.6943 -1.0697 C.3 1 UNL1111111111 -0.4438 7 C -3.5082 -1.3377 0.2969 C.3 1 UNL1111111111 -0.4357 8 C 0.3316 1.7720 -0.2049 C.2 1 UNL1111111111 0.4925 9 C 1.1860 0.5682 -0.0407 C.ar 1 UNL1111111111 -0.1435 10 C 1.8531 0.0422 -1.1455 C.ar 1 UNL1111111111 -0.1308 11 C 1.3094 -0.0209 1.2160 C.ar 1 UNL1111111111 -0.1026 12 C 2.6405 -1.0966 -0.9910 C.ar 1 UNL1111111111 -0.1560 13 C 2.0999 -1.1591 1.3644 C.ar 1 UNL1111111111 -0.1523 14 C 2.7613 -1.6974 0.2618 C.ar 1 UNL1111111111 -0.1303 15 H -2.9711 -0.2263 -1.4850 H 1 UNL1111111111 0.1498 16 H -1.7014 2.4418 -0.4947 H 1 UNL1111111111 0.2058 17 H -1.1178 1.3052 -1.7189 H 1 UNL1111111111 0.1850 18 H -1.8850 -2.4849 -1.6697 H 1 UNL1111111111 0.1524 19 H -0.9246 -2.1830 -0.2198 H 1 UNL1111111111 0.1606 20 H -0.6367 -1.2317 -1.6810 H 1 UNL1111111111 0.1483 21 H -4.0037 -2.1709 -0.2119 H 1 UNL1111111111 0.1445 22 H -4.2814 -0.6256 0.6083 H 1 UNL1111111111 0.1488 23 H -3.0522 -1.7321 1.2169 H 1 UNL1111111111 0.1655 24 H 1.7686 0.5203 -2.1196 H 1 UNL1111111111 0.1528 25 H 0.7810 0.4011 2.0747 H 1 UNL1111111111 0.1758 26 H 3.1650 -1.5148 -1.8477 H 1 UNL1111111111 0.1516 27 H 2.1997 -1.6253 2.3433 H 1 UNL1111111111 0.1570 28 H 3.3774 -2.5872 0.3793 H 1 UNL1111111111 0.1502 @BOND 1 1 4 2 2 2 8 2 3 3 4 1 4 3 6 1 5 3 7 1 6 3 15 1 7 4 5 1 8 5 8 1 9 5 16 1 10 5 17 1 11 6 18 1 12 6 19 1 13 6 20 1 14 7 21 1 15 7 22 1 16 7 23 1 17 8 9 1 18 9 10 ar 19 9 11 ar 20 10 12 ar 21 10 24 1 22 11 13 ar 23 11 25 1 24 12 14 ar 25 12 26 1 26 13 14 ar 27 13 27 1 28 14 28 1