@MOLECULE 1-methyl-2-(3-pentanyl)-4(1h)-quinolinone 36 37 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O 1.1179 -2.9182 -0.0297 O.2 1 UNL1 -0.4972 2 N -0.1010 0.9702 0.0583 N.ar 1 UNL1 -0.3549 3 C -2.5175 0.2678 -0.0173 C.3 1 UNL1 -0.1418 4 C -1.0363 -0.0575 0.0018 C.ar 1 UNL1 0.2750 5 C -3.1482 -0.2590 -1.3223 C.3 1 UNL1 -0.2537 6 C -3.2046 -0.3665 1.2087 C.3 1 UNL1 -0.2548 7 C 1.2737 0.6894 0.0252 C.ar 1 UNL1 0.2350 8 C -0.6366 -1.3590 -0.0412 C.ar 1 UNL1 -0.4602 9 C 1.7187 -0.6453 -0.0035 C.ar 1 UNL1 -0.2454 10 C -2.5933 0.4698 -2.5441 C.3 1 UNL1 -0.4412 11 C -2.6780 0.2252 2.5143 C.3 1 UNL1 -0.4416 12 C 0.7540 -1.7585 -0.0235 C.ar 1 UNL1 0.4985 13 C -0.4962 2.3777 0.1763 C.3 1 UNL1 -0.2460 14 C 2.2331 1.7279 0.0165 C.ar 1 UNL1 -0.2838 15 C 3.0886 -0.9319 -0.0179 C.ar 1 UNL1 -0.0169 16 C 3.5835 1.4207 -0.0011 C.ar 1 UNL1 -0.0547 17 C 4.0221 0.0916 -0.0132 C.ar 1 UNL1 -0.2377 18 H -2.7034 1.3707 0.0226 H 1 UNL1 0.1455 19 H -2.9716 -1.3488 -1.4213 H 1 UNL1 0.1544 20 H -4.2472 -0.1360 -1.2765 H 1 UNL1 0.1380 21 H -3.0538 -1.4648 1.2062 H 1 UNL1 0.1545 22 H -4.2986 -0.2140 1.1388 H 1 UNL1 0.1379 23 H -1.3568 -2.1722 -0.0889 H 1 UNL1 0.1935 24 H -3.0434 0.0889 -3.4685 H 1 UNL1 0.1475 25 H -2.7894 1.5454 -2.5037 H 1 UNL1 0.1368 26 H -1.5076 0.3316 -2.6341 H 1 UNL1 0.1561 27 H -2.8588 1.3020 2.5796 H 1 UNL1 0.1359 28 H -3.1609 -0.2414 3.3814 H 1 UNL1 0.1480 29 H -1.5977 0.0598 2.6218 H 1 UNL1 0.1567 30 H -0.2437 2.9312 -0.7478 H 1 UNL1 0.1559 31 H 0.0122 2.8534 1.0369 H 1 UNL1 0.1590 32 H -1.5814 2.4959 0.3500 H 1 UNL1 0.1601 33 H 1.9324 2.7700 0.0165 H 1 UNL1 0.1579 34 H 3.4017 -1.9824 -0.0333 H 1 UNL1 0.1785 35 H 4.3181 2.2270 -0.0068 H 1 UNL1 0.1460 36 H 5.0856 -0.1302 -0.0216 H 1 UNL1 0.1593 @BOND 1 24 10 1 2 26 10 1 3 10 25 1 4 10 5 1 5 19 5 1 6 5 20 1 7 5 3 1 8 30 13 1 9 23 8 1 10 8 12 ar 11 8 4 ar 12 34 15 1 13 1 12 2 14 12 9 ar 15 36 17 1 16 15 17 ar 17 15 9 ar 18 3 4 1 19 3 18 1 20 3 6 1 21 17 16 ar 22 35 16 1 23 9 7 ar 24 16 14 ar 25 4 2 ar 26 33 14 1 27 14 7 ar 28 7 2 ar 29 2 13 1 30 13 32 1 31 13 31 1 32 22 6 1 33 21 6 1 34 6 11 1 35 11 27 1 36 11 29 1 37 11 28 1