@MOLECULE 1-propyl-2-ethyl-3-hydroxy-4-pyridone 28 28 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O -2.3355 1.4081 -0.6545 O.3 1 UNL1 -0.3934 2 O -3.3997 -0.9959 -0.2247 O.2 1 UNL1 -0.4522 3 N 0.6000 -0.4954 0.4068 N.ar 1 UNL1 -0.3035 4 C 2.0549 -0.3959 0.5852 C.3 1 UNL1 -0.0856 5 C -0.1571 0.5878 -0.0538 C.ar 1 UNL1 0.0174 6 C 2.7966 -0.7290 -0.7232 C.3 1 UNL1 -0.2795 7 C 0.5048 1.9115 -0.2967 C.3 1 UNL1 -0.2642 8 C 0.0080 -1.7264 0.5760 C.ar 1 UNL1 0.0884 9 C -1.5011 0.4243 -0.2472 C.ar 1 UNL1 0.0372 10 C 4.2980 -0.5452 -0.5352 C.3 1 UNL1 -0.4414 11 C -1.3229 -1.9285 0.3773 C.ar 1 UNL1 -0.4256 12 C -2.2092 -0.8632 -0.0488 C.ar 1 UNL1 0.4708 13 C 0.4751 2.7697 0.9688 C.3 1 UNL1 -0.4343 14 H 2.3735 -1.0916 1.3958 H 1 UNL1 0.1479 15 H 2.3272 0.6212 0.9465 H 1 UNL1 0.1554 16 H 2.4284 -0.0891 -1.5489 H 1 UNL1 0.1513 17 H 2.5690 -1.7667 -1.0367 H 1 UNL1 0.1511 18 H 1.5469 1.7914 -0.6583 H 1 UNL1 0.1555 19 H 0.0027 2.4445 -1.1351 H 1 UNL1 0.1530 20 H 0.6691 -2.5402 0.8991 H 1 UNL1 0.1598 21 H 4.5533 0.4885 -0.2737 H 1 UNL1 0.1456 22 H 4.6937 -1.1945 0.2546 H 1 UNL1 0.1469 23 H 4.8441 -0.7885 -1.4559 H 1 UNL1 0.1529 24 H -1.7808 -2.9006 0.5356 H 1 UNL1 0.1914 25 H 0.9502 3.7435 0.8050 H 1 UNL1 0.1480 26 H 0.9982 2.2814 1.7996 H 1 UNL1 0.1482 27 H -0.5528 2.9523 1.3093 H 1 UNL1 0.1580 28 H -1.8770 2.2846 -0.7128 H 1 UNL1 0.3010 @BOND 1 16 6 1 2 23 10 1 3 19 7 1 4 17 6 1 5 6 10 1 6 6 4 1 7 28 1 1 8 18 7 1 9 1 9 1 10 10 21 1 11 10 22 1 12 7 5 1 13 7 13 1 14 9 5 ar 15 9 12 ar 16 2 12 2 17 5 3 ar 18 12 11 ar 19 11 24 1 20 11 8 ar 21 3 8 ar 22 3 4 1 23 8 20 1 24 4 15 1 25 4 14 1 26 25 13 1 27 13 27 1 28 13 26 1