@MOLECULE 1-ethyl-6-fluoro-7-(4-methyl-1-piperazinyl)-4-oxo-1,4-dihydro-3-quinolinecarbaldehyde 43 45 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 F -1.2877 -2.6926 -0.4480 F 1 UNL1 -0.1424 2 O 3.6235 -2.1141 -0.2215 O.2 1 UNL1 -0.4208 3 O 6.0723 -0.9287 -0.0761 O.2 1 UNL1 -0.3849 4 N -2.4819 -0.2414 -0.0973 N.pl3 1 UNL1 -0.4097 5 N -5.2410 0.3979 0.2832 N.3 1 UNL1 -0.4023 6 N 2.0558 1.5989 0.3987 N.ar 1 UNL1 -0.3307 7 C -3.2407 -0.8240 1.0363 C.3 1 UNL1 -0.0925 8 C -2.9876 1.1125 -0.4146 C.3 1 UNL1 -0.1087 9 C -4.7214 -0.9540 0.6090 C.3 1 UNL1 -0.1272 10 C -4.4686 0.9698 -0.8473 C.3 1 UNL1 -0.1226 11 C -1.0789 -0.3760 0.0016 C.ar 1 UNL1 0.2072 12 C 1.1814 0.5182 0.1839 C.ar 1 UNL1 0.2378 13 C -0.2148 0.7016 0.2028 C.ar 1 UNL1 -0.3557 14 C -6.6795 0.3331 -0.0514 C.3 1 UNL1 -0.2829 15 C -0.5008 -1.6535 -0.2169 C.ar 1 UNL1 0.0644 16 C 1.7223 -0.7599 -0.0266 C.ar 1 UNL1 -0.2415 17 C 0.8665 -1.8496 -0.2274 C.ar 1 UNL1 -0.0729 18 C 1.5391 2.9742 0.5201 C.3 1 UNL1 -0.0602 19 C 3.1863 -1.0007 -0.0536 C.ar 1 UNL1 0.5015 20 C 3.4144 1.4166 0.3302 C.ar 1 UNL1 0.1459 21 C 3.9989 0.1982 0.1343 C.ar 1 UNL1 -0.4180 22 C 1.1933 3.5560 -0.8511 C.3 1 UNL1 -0.4696 23 C 5.4645 0.0947 0.1129 C.2 1 UNL1 0.3496 24 H -3.1661 -0.1853 1.9452 H 1 UNL1 0.1357 25 H -2.8391 -1.8230 1.3012 H 1 UNL1 0.1529 26 H -2.3983 1.5358 -1.2556 H 1 UNL1 0.1414 27 H -2.9178 1.8099 0.4482 H 1 UNL1 0.1324 28 H -4.8046 -1.6671 -0.2397 H 1 UNL1 0.1352 29 H -5.3126 -1.3655 1.4545 H 1 UNL1 0.1415 30 H -4.8801 1.9725 -1.0856 H 1 UNL1 0.1368 31 H -4.5289 0.3521 -1.7695 H 1 UNL1 0.1334 32 H -0.6325 1.6857 0.3907 H 1 UNL1 0.1710 33 H -7.0493 1.3528 -0.2486 H 1 UNL1 0.1456 34 H -7.2332 -0.0468 0.8236 H 1 UNL1 0.1482 35 H -6.9200 -0.2999 -0.9186 H 1 UNL1 0.1234 36 H 1.3040 -2.8437 -0.4007 H 1 UNL1 0.2059 37 H 0.6481 2.9753 1.1915 H 1 UNL1 0.1547 38 H 2.2973 3.6096 1.0335 H 1 UNL1 0.1462 39 H 4.0251 2.3235 0.4636 H 1 UNL1 0.1591 40 H 2.0786 3.6398 -1.4941 H 1 UNL1 0.1600 41 H 0.4700 2.9280 -1.3902 H 1 UNL1 0.1683 42 H 0.7563 4.5569 -0.7586 H 1 UNL1 0.1560 43 H 6.0191 1.0319 0.2833 H 1 UNL1 0.0887 @BOND 1 31 10 1 2 40 22 1 3 41 22 1 4 26 8 1 5 30 10 1 6 35 14 1 7 22 42 1 8 22 18 1 9 10 8 1 10 10 5 1 11 1 15 1 12 8 4 1 13 8 27 1 14 36 17 1 15 33 14 1 16 28 9 1 17 17 15 ar 18 17 16 ar 19 2 19 2 20 15 11 ar 21 4 11 1 22 4 7 1 23 3 23 2 24 19 16 ar 25 19 21 ar 26 14 5 1 27 14 34 1 28 16 12 ar 29 11 13 ar 30 23 21 1 31 23 43 1 32 21 20 ar 33 12 13 ar 34 12 6 ar 35 13 32 1 36 5 9 1 37 20 6 ar 38 20 39 1 39 6 18 1 40 18 38 1 41 18 37 1 42 9 7 1 43 9 29 1 44 7 25 1 45 7 24 1