@MOLECULE 7-{3-[4-(2,3-dimethylphenyl)-1-piperazinyl]propoxy}-2(1h)-quinolinone 58 61 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O 2.8290 -0.1343 0.7973 O.3 1 UNL1 -0.3276 2 O 9.2257 2.4197 -0.2514 O.2 1 UNL1 -0.5030 3 N -1.8188 -0.5167 -0.3672 N.3 1 UNL1 -0.4156 4 N -4.6389 -0.1187 0.0292 N.pl3 1 UNL1 -0.4311 5 N 7.2008 1.5512 0.1528 N.ar 1 UNL1 -0.5266 6 C -2.8188 -1.3133 -1.1250 C.3 1 UNL1 -0.1227 7 C -2.3776 -0.1581 0.9600 C.3 1 UNL1 -0.1235 8 C -4.1115 -0.4816 -1.3105 C.3 1 UNL1 -0.1075 9 C -3.6407 0.7082 0.7491 C.3 1 UNL1 -0.1121 10 C -0.5554 -1.2829 -0.2226 C.3 1 UNL1 -0.1171 11 C -5.9334 0.5100 -0.0641 C.ar 1 UNL1 0.1286 12 C 0.5586 -0.3436 0.2766 C.3 1 UNL1 -0.3046 13 C -7.0686 -0.3016 0.1091 C.ar 1 UNL1 -0.0162 14 C 1.8744 -1.1131 0.3531 C.3 1 UNL1 -0.0464 15 C -6.0730 1.8862 -0.2863 C.ar 1 UNL1 -0.2355 16 C -8.3382 0.2902 0.0497 C.ar 1 UNL1 0.0250 17 C -6.9474 -1.7680 0.3490 C.3 1 UNL1 -0.4384 18 C -7.3383 2.4596 -0.3297 C.ar 1 UNL1 -0.1265 19 C -8.4671 1.6632 -0.1638 C.ar 1 UNL1 -0.1970 20 C -9.5722 -0.5320 0.2182 C.3 1 UNL1 -0.4463 21 C 4.1277 -0.4268 0.5491 C.ar 1 UNL1 0.3417 22 C 4.9807 0.6720 0.5637 C.ar 1 UNL1 -0.3932 23 C 4.5876 -1.7328 0.2764 C.ar 1 UNL1 -0.3616 24 C 6.3260 0.4781 0.2011 C.ar 1 UNL1 0.3114 25 C 6.7912 -0.8153 -0.1488 C.ar 1 UNL1 -0.2327 26 C 5.9069 -1.9052 -0.0830 C.ar 1 UNL1 0.0018 27 C 8.1583 -0.9841 -0.5509 C.ar 1 UNL1 -0.0036 28 C 8.5560 1.4099 -0.2429 C.ar 1 UNL1 0.5937 29 C 9.0011 0.0693 -0.5969 C.ar 1 UNL1 -0.3302 30 H -3.0631 -2.2754 -0.6257 H 1 UNL1 0.1244 31 H -2.3974 -1.5473 -2.1259 H 1 UNL1 0.1360 32 H -1.6241 0.4361 1.5197 H 1 UNL1 0.1386 33 H -2.6294 -1.0484 1.5746 H 1 UNL1 0.1280 34 H -3.9003 0.4129 -1.9358 H 1 UNL1 0.1342 35 H -4.8745 -1.0904 -1.8407 H 1 UNL1 0.1419 36 H -4.0639 1.0082 1.7279 H 1 UNL1 0.1444 37 H -3.3637 1.6299 0.1915 H 1 UNL1 0.1334 38 H -0.6590 -2.1562 0.4562 H 1 UNL1 0.1147 39 H -0.2785 -1.6816 -1.2251 H 1 UNL1 0.1388 40 H 0.6465 0.5302 -0.4001 H 1 UNL1 0.1756 41 H 0.3092 0.0817 1.2663 H 1 UNL1 0.1579 42 H 2.1709 -1.5102 -0.6346 H 1 UNL1 0.1333 43 H 1.8447 -1.9225 1.0999 H 1 UNL1 0.1289 44 H -5.1945 2.5087 -0.4324 H 1 UNL1 0.1576 45 H -7.5899 -2.0993 1.1766 H 1 UNL1 0.1529 46 H -7.2238 -2.3386 -0.5468 H 1 UNL1 0.1515 47 H -5.9179 -2.0620 0.6130 H 1 UNL1 0.1763 48 H -7.4461 3.5291 -0.4991 H 1 UNL1 0.1504 49 H -9.4570 2.1133 -0.2041 H 1 UNL1 0.1527 50 H -9.6471 -0.9318 1.2404 H 1 UNL1 0.1591 51 H -10.4889 0.0425 0.0290 H 1 UNL1 0.1519 52 H -9.5851 -1.3908 -0.4697 H 1 UNL1 0.1578 53 H 4.5962 1.6555 0.8172 H 1 UNL1 0.1886 54 H 3.9220 -2.5854 0.3552 H 1 UNL1 0.1686 55 H 6.2782 -2.9046 -0.3208 H 1 UNL1 0.1505 56 H 6.8717 2.4828 0.4017 H 1 UNL1 0.3279 57 H 8.4927 -1.9894 -0.8146 H 1 UNL1 0.1537 58 H 10.0454 -0.0137 -0.8917 H 1 UNL1 0.1871 @BOND 1 31 6 1 2 34 8 1 3 35 8 1 4 8 6 1 5 8 4 1 6 39 10 1 7 6 30 1 8 6 3 1 9 58 29 1 10 57 27 1 11 42 14 1 12 29 27 ar 13 29 28 ar 14 27 25 ar 15 46 17 1 16 48 18 1 17 52 20 1 18 44 15 1 19 40 12 1 20 3 10 1 21 3 7 1 22 18 15 ar 23 18 19 ar 24 55 26 1 25 15 11 ar 26 2 28 2 27 28 5 ar 28 10 12 1 29 10 38 1 30 49 19 1 31 19 16 ar 32 25 26 ar 33 25 24 ar 34 26 23 ar 35 11 4 1 36 11 13 ar 37 51 20 1 38 4 9 1 39 16 13 ar 40 16 20 1 41 13 17 1 42 5 24 ar 43 5 56 1 44 37 9 1 45 24 22 ar 46 20 50 1 47 23 54 1 48 23 21 ar 49 12 14 1 50 12 41 1 51 17 47 1 52 17 45 1 53 14 1 1 54 14 43 1 55 21 22 ar 56 21 1 1 57 22 53 1 58 9 7 1 59 9 36 1 60 7 32 1 61 7 33 1