@MOLECULE 3-hydroxy-2-methyl-1-propyl-4(1h)-pyridinone 25 25 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O 2.3522 1.6527 0.2481 O.3 1 UNL1 -0.3897 2 O 3.3273 -0.8204 0.3467 O.2 1 UNL1 -0.4507 3 N -0.6428 -0.3298 -0.4527 N.ar 1 UNL1 -0.3086 4 C -2.0939 -0.2158 -0.6536 C.3 1 UNL1 -0.0821 5 C -2.8462 -0.2618 0.6902 C.3 1 UNL1 -0.2799 6 C 0.1500 0.8012 -0.2177 C.ar 1 UNL1 0.0377 7 C -0.0969 -1.5888 -0.3390 C.ar 1 UNL1 0.0900 8 C 1.4824 0.6376 0.0398 C.ar 1 UNL1 0.0323 9 C -4.3427 -0.0868 0.4588 C.3 1 UNL1 -0.4416 10 C -0.4824 2.1507 -0.2925 C.3 1 UNL1 -0.4414 11 C 1.2234 -1.7886 -0.0781 C.ar 1 UNL1 -0.4251 12 C 2.1442 -0.6870 0.1282 C.ar 1 UNL1 0.4721 13 H -2.4368 -1.0455 -1.3148 H 1 UNL1 0.1479 14 H -2.3312 0.7202 -1.2061 H 1 UNL1 0.1527 15 H -2.4648 0.5226 1.3726 H 1 UNL1 0.1513 16 H -2.6440 -1.2199 1.2078 H 1 UNL1 0.1507 17 H -0.7851 -2.4295 -0.4916 H 1 UNL1 0.1597 18 H -4.5742 0.8766 -0.0100 H 1 UNL1 0.1457 19 H -4.7517 -0.8754 -0.1838 H 1 UNL1 0.1471 20 H -4.8957 -0.1247 1.4065 H 1 UNL1 0.1530 21 H 0.1723 2.9450 0.0995 H 1 UNL1 0.1584 22 H -1.4085 2.2125 0.3001 H 1 UNL1 0.1656 23 H -0.7275 2.4231 -1.3316 H 1 UNL1 0.1664 24 H 1.6476 -2.7867 -0.0177 H 1 UNL1 0.1915 25 H 1.9173 2.5398 0.1639 H 1 UNL1 0.2972 @BOND 1 23 10 1 2 13 4 1 3 14 4 1 4 4 3 1 5 4 5 1 6 17 7 1 7 3 7 ar 8 3 6 ar 9 7 11 ar 10 10 6 1 11 10 21 1 12 10 22 1 13 6 8 ar 14 19 9 1 15 11 24 1 16 11 12 ar 17 18 9 1 18 8 12 ar 19 8 1 1 20 12 2 2 21 25 1 1 22 9 5 1 23 9 20 1 24 5 16 1 25 5 15 1