@MOLECULE 2-nonyl-4(1h)-quinolinone 45 46 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O -4.1513 -2.6198 -0.6956 O.2 1 UNL1 -0.4889 2 N -2.4023 0.7602 0.7387 N.ar 1 UNL1 -0.4630 3 C 3.1562 0.0649 -0.1234 C.3 1 UNL1 -0.2710 4 C 2.0906 -0.1770 0.9532 C.3 1 UNL1 -0.2741 5 C 4.5600 0.0202 0.4935 C.3 1 UNL1 -0.2747 6 C 0.6851 -0.1551 0.3427 C.3 1 UNL1 -0.2574 7 C 5.6365 0.2195 -0.5808 C.3 1 UNL1 -0.2743 8 C -0.3716 -0.4186 1.4262 C.3 1 UNL1 -0.3129 9 C 7.0366 0.1481 0.0418 C.3 1 UNL1 -0.2726 10 C -1.7400 -0.4600 0.8091 C.ar 1 UNL1 0.2696 11 C 8.1215 0.2994 -1.0326 C.3 1 UNL1 -0.2505 12 C -2.3045 -1.6026 0.3434 C.ar 1 UNL1 -0.4395 13 C -3.6853 0.8443 0.1910 C.ar 1 UNL1 0.2374 14 C -4.3192 -0.3099 -0.2978 C.ar 1 UNL1 -0.2426 15 C 9.5159 0.2109 -0.4123 C.3 1 UNL1 -0.4396 16 C -3.6308 -1.6151 -0.2560 C.ar 1 UNL1 0.4997 17 C -4.3392 2.0929 0.1400 C.ar 1 UNL1 -0.2875 18 C -5.6112 -0.2122 -0.8265 C.ar 1 UNL1 -0.0193 19 C -5.6171 2.1614 -0.3893 C.ar 1 UNL1 -0.0476 20 C -6.2590 1.0128 -0.8716 C.ar 1 UNL1 -0.2361 21 H 3.0693 -0.6957 -0.9223 H 1 UNL1 0.1410 22 H 2.9889 1.0408 -0.6154 H 1 UNL1 0.1371 23 H 2.2742 -1.1499 1.4485 H 1 UNL1 0.1407 24 H 2.1767 0.5885 1.7466 H 1 UNL1 0.1352 25 H 4.7167 -0.9467 1.0079 H 1 UNL1 0.1376 26 H 4.6566 0.7978 1.2737 H 1 UNL1 0.1355 27 H 0.4974 0.8150 -0.1534 H 1 UNL1 0.1397 28 H 0.6045 -0.9208 -0.4554 H 1 UNL1 0.1549 29 H 5.5327 -0.5500 -1.3686 H 1 UNL1 0.1383 30 H 5.4946 1.1926 -1.0862 H 1 UNL1 0.1366 31 H -0.3026 0.3429 2.2283 H 1 UNL1 0.1532 32 H -0.1585 -1.3852 1.9334 H 1 UNL1 0.1732 33 H 7.1659 -0.8124 0.5748 H 1 UNL1 0.1371 34 H 7.1525 0.9367 0.8080 H 1 UNL1 0.1360 35 H 8.0013 -0.4834 -1.8053 H 1 UNL1 0.1345 36 H 8.0016 1.2654 -1.5582 H 1 UNL1 0.1337 37 H -1.9496 1.6010 1.0665 H 1 UNL1 0.3166 38 H -1.7936 -2.5596 0.3937 H 1 UNL1 0.1941 39 H 9.6742 0.9994 0.3319 H 1 UNL1 0.1422 40 H 9.6709 -0.7512 0.0887 H 1 UNL1 0.1427 41 H 10.2968 0.3151 -1.1735 H 1 UNL1 0.1410 42 H -3.8483 2.9860 0.5117 H 1 UNL1 0.1579 43 H -6.0942 -1.1219 -1.2006 H 1 UNL1 0.1773 44 H -6.1340 3.1209 -0.4321 H 1 UNL1 0.1487 45 H -7.2638 1.0879 -1.2799 H 1 UNL1 0.1600 @BOND 1 35 11 1 2 36 11 1 3 29 7 1 4 45 20 1 5 43 18 1 6 41 15 1 7 30 7 1 8 11 15 1 9 11 9 1 10 21 3 1 11 20 18 ar 12 20 19 ar 13 18 14 ar 14 1 16 2 15 22 3 1 16 7 9 1 17 7 5 1 18 28 6 1 19 44 19 1 20 15 40 1 21 15 39 1 22 19 17 ar 23 14 16 ar 24 14 13 ar 25 16 12 ar 26 27 6 1 27 3 5 1 28 3 4 1 29 9 33 1 30 9 34 1 31 17 13 ar 32 17 42 1 33 13 2 ar 34 6 4 1 35 6 8 1 36 12 38 1 37 12 10 ar 38 5 25 1 39 5 26 1 40 2 10 ar 41 2 37 1 42 10 8 1 43 4 23 1 44 4 24 1 45 8 32 1 46 8 31 1