@MOLECULE 6-fluoro-1-methyl-7-(4-methyl-4-oxido-piperazin-4-ium-1-yl)-4-oxo-5,8-dihydro-2H-quinoline-2,3,4a,5,6,7,8,8a-octaide-3-carboxylic acid 42 44 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 F -1.2484 -2.6990 -0.1942 F 1 UNL1 -0.1434 2 O -5.2322 1.3386 0.9509 O.3 1 UNL1 -0.7371 3 O 3.6583 -2.0334 -0.1181 O.2 1 UNL1 -0.4277 4 O 5.9955 -0.9326 0.1700 O.3 1 UNL1 -0.4769 5 O 6.1580 1.2829 0.0369 O.2 1 UNL1 -0.5763 6 N -5.2685 0.3837 0.0667 N.4 1 UNL1 0.3709 7 N -2.4716 -0.2494 -0.1961 N.pl3 1 UNL1 -0.4210 8 N 2.0401 1.7091 0.0216 N.ar 1 UNL1 -0.2959 9 C -4.4554 0.7793 -1.1599 C.3 1 UNL1 -0.2163 10 C -4.6733 -0.8927 0.6483 C.3 1 UNL1 -0.2178 11 C -2.9952 1.0278 -0.7331 C.3 1 UNL1 -0.1070 12 C -3.2075 -0.6291 1.0366 C.3 1 UNL1 -0.0919 13 C -6.6973 0.1202 -0.3494 C.3 1 UNL1 -0.3798 14 C -1.0637 -0.3421 -0.0847 C.ar 1 UNL1 0.1993 15 C -0.2175 0.7661 -0.0330 C.ar 1 UNL1 -0.3364 16 C -0.4713 -1.6301 -0.1206 C.ar 1 UNL1 0.0689 17 C 1.1797 0.5964 -0.0263 C.ar 1 UNL1 0.2243 18 C 1.7389 -0.6908 -0.0595 C.ar 1 UNL1 -0.2267 19 C 0.8989 -1.8091 -0.1068 C.ar 1 UNL1 -0.0801 20 C 3.2080 -0.9144 -0.0531 C.ar 1 UNL1 0.5084 21 C 3.3934 1.5438 0.0531 C.ar 1 UNL1 0.1852 22 C 3.9937 0.3092 0.0262 C.ar 1 UNL1 -0.4209 23 C 1.4851 3.0657 0.0494 C.3 1 UNL1 -0.2471 24 C 5.4486 0.2973 0.0702 C.2 1 UNL1 0.6757 25 H -4.5129 -0.0195 -1.9240 H 1 UNL1 0.1546 26 H -5.2527 -1.1706 1.5534 H 1 UNL1 0.1668 27 H -4.7451 -1.7137 -0.0909 H 1 UNL1 0.1558 28 H -4.8831 1.7128 -1.5792 H 1 UNL1 0.1626 29 H -3.1699 0.1842 1.8041 H 1 UNL1 0.1647 30 H -2.7653 -1.5384 1.4924 H 1 UNL1 0.1567 31 H -2.3951 1.3348 -1.6156 H 1 UNL1 0.1468 32 H -2.9713 1.8545 0.0181 H 1 UNL1 0.1619 33 H -7.1371 1.0456 -0.7561 H 1 UNL1 0.1736 34 H -6.7669 -0.6831 -1.0897 H 1 UNL1 0.1471 35 H -7.2949 -0.1346 0.5418 H 1 UNL1 0.1760 36 H -0.6499 1.7612 0.0215 H 1 UNL1 0.1748 37 H 1.3491 -2.8117 -0.1418 H 1 UNL1 0.2059 38 H 4.0107 2.4624 0.1021 H 1 UNL1 0.1920 39 H 0.8538 3.2137 0.9471 H 1 UNL1 0.1657 40 H 0.8754 3.2575 -0.8540 H 1 UNL1 0.1623 41 H 2.2839 3.8285 0.0772 H 1 UNL1 0.1628 42 H 6.9888 -0.8976 0.1894 H 1 UNL1 0.3399 @BOND 1 25 9 1 2 31 11 1 3 28 9 1 4 9 11 1 5 9 6 1 6 34 13 1 7 40 23 1 8 33 13 1 9 11 7 1 10 11 32 1 11 13 6 1 12 13 35 1 13 7 14 1 14 7 12 1 15 1 16 1 16 37 19 1 17 16 19 ar 18 16 14 ar 19 3 20 2 20 19 18 ar 21 27 10 1 22 14 15 ar 23 18 20 ar 24 18 17 ar 25 20 22 ar 26 15 17 ar 27 15 36 1 28 17 8 ar 29 8 23 1 30 8 21 ar 31 22 21 ar 32 22 24 1 33 5 24 2 34 23 41 1 35 23 39 1 36 21 38 1 37 6 10 1 38 6 2 1 39 24 4 1 40 4 42 1 41 10 12 1 42 10 26 1 43 12 30 1 44 12 29 1