@MOLECULE 2-ethyl-3-hydroxy-1-methyl-4(1h)-pyridinone 22 22 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O -0.8366 2.0652 -0.2646 O.3 1 UNL1 -0.3918 2 O -2.9303 0.4689 0.1481 O.2 1 UNL1 -0.4512 3 N 0.7785 -1.2091 -0.0949 N.ar 1 UNL1 -0.2782 4 C 0.6486 0.1758 -0.2436 C.ar 1 UNL1 0.0099 5 C 1.8676 1.0132 -0.4907 C.3 1 UNL1 -0.2602 6 C -0.5942 0.7397 -0.1517 C.ar 1 UNL1 0.0404 7 C -0.3308 -1.9903 0.1173 C.ar 1 UNL1 0.0889 8 C 2.4342 1.5468 0.8262 C.3 1 UNL1 -0.4351 9 C 2.0972 -1.8421 -0.1526 C.3 1 UNL1 -0.2427 10 C -1.8348 -0.0413 0.0751 C.ar 1 UNL1 0.4697 11 C -1.5838 -1.4628 0.1989 C.ar 1 UNL1 -0.4302 12 H 2.6468 0.4550 -1.0480 H 1 UNL1 0.1526 13 H 1.6196 1.8580 -1.1723 H 1 UNL1 0.1532 14 H -0.1577 -3.0686 0.2171 H 1 UNL1 0.1596 15 H 3.2995 2.1978 0.6559 H 1 UNL1 0.1486 16 H 2.7571 0.7336 1.4871 H 1 UNL1 0.1474 17 H 1.6861 2.1254 1.3844 H 1 UNL1 0.1580 18 H 2.5100 -1.7976 -1.1780 H 1 UNL1 0.1540 19 H 2.0445 -2.9052 0.1415 H 1 UNL1 0.1551 20 H 2.8051 -1.3460 0.5374 H 1 UNL1 0.1584 21 H -2.4544 -2.0914 0.3637 H 1 UNL1 0.1921 22 H -0.0017 2.5921 -0.3545 H 1 UNL1 0.3013 @BOND 1 18 9 1 2 13 5 1 3 12 5 1 4 5 4 1 5 5 8 1 6 22 1 1 7 1 6 1 8 4 6 ar 9 4 3 ar 10 9 3 1 11 9 19 1 12 9 20 1 13 6 10 ar 14 3 7 ar 15 10 2 2 16 10 11 ar 17 7 11 ar 18 7 14 1 19 11 21 1 20 15 8 1 21 8 17 1 22 8 16 1