@MOLECULE (1r)-6-fluoro-1-methyl-4-oxo-7-(1-piperazinyl)-4h-[1,3]thiazeto[3,2-a]quinoline-3-carboxylic acid 40 43 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 S 3.2432 2.4695 -0.1310 S.3 1 UNL1 0.1163 2 F -2.5653 -2.7214 -0.0153 F 1 UNL1 -0.1441 3 O 2.3967 -2.7430 0.2525 O.2 1 UNL1 -0.4223 4 O 4.8141 -1.9952 -0.5689 O.3 1 UNL1 -0.4889 5 O 5.4084 -0.0377 0.3137 O.2 1 UNL1 -0.5439 6 N 1.3119 1.1297 -0.1116 N.ar 1 UNL1 -0.4097 7 N -3.4321 -0.1152 -0.1872 N.pl3 1 UNL1 -0.4068 8 N -6.0796 0.9177 0.0703 N.3 1 UNL1 -0.5377 9 C 1.3317 2.6074 -0.1261 C.3 1 UNL1 0.0796 10 C 0.2909 0.1880 -0.0730 C.ar 1 UNL1 0.2712 11 C 2.6486 0.7737 -0.0749 C.ar 1 UNL1 0.2465 12 C -2.0582 -0.4083 -0.0722 C.ar 1 UNL1 0.2222 13 C -4.2299 -0.3854 1.0348 C.3 1 UNL1 -0.0884 14 C -3.7732 1.2110 -0.7494 C.3 1 UNL1 -0.1056 15 C 0.6798 -1.1629 0.0127 C.ar 1 UNL1 -0.2592 16 C -1.0583 0.5679 -0.1184 C.ar 1 UNL1 -0.3669 17 C -5.7251 -0.4035 0.6384 C.3 1 UNL1 -0.1186 18 C -5.2728 1.1888 -1.1411 C.3 1 UNL1 -0.1140 19 C 3.0967 -0.5017 -0.0250 C.ar 1 UNL1 -0.4009 20 C 2.1018 -1.5845 0.0824 C.ar 1 UNL1 0.5177 21 C -1.6472 -1.7668 -0.0043 C.ar 1 UNL1 0.0454 22 C 0.7478 3.2653 1.0938 C.3 1 UNL1 -0.4825 23 C -0.3175 -2.1442 0.0401 C.ar 1 UNL1 -0.0540 24 C 4.5248 -0.7832 -0.0447 C.2 1 UNL1 0.6788 25 H 0.9269 3.0194 -1.0759 H 1 UNL1 0.1632 26 H -4.0559 0.3956 1.8095 H 1 UNL1 0.1370 27 H -3.9481 -1.3599 1.4816 H 1 UNL1 0.1521 28 H -3.1588 1.3932 -1.6570 H 1 UNL1 0.1427 29 H -3.5900 2.0378 -0.0294 H 1 UNL1 0.1331 30 H -1.3160 1.6194 -0.1765 H 1 UNL1 0.1700 31 H -5.9126 -1.2438 -0.0653 H 1 UNL1 0.1330 32 H -6.3466 -0.5725 1.5436 H 1 UNL1 0.1416 33 H -5.5664 2.1823 -1.5402 H 1 UNL1 0.1375 34 H -5.4335 0.4381 -1.9456 H 1 UNL1 0.1307 35 H -7.0753 0.9669 -0.1395 H 1 UNL1 0.2564 36 H -0.3506 3.1887 1.1115 H 1 UNL1 0.1684 37 H 1.0997 2.8185 2.0385 H 1 UNL1 0.1827 38 H 0.9921 4.3371 1.1371 H 1 UNL1 0.1711 39 H -0.0228 -3.2023 0.0894 H 1 UNL1 0.2035 40 H 5.7867 -2.1934 -0.5476 H 1 UNL1 0.3430 @BOND 1 34 18 1 2 28 14 1 3 33 18 1 4 18 14 1 5 18 8 1 6 25 9 1 7 14 7 1 8 14 29 1 9 4 40 1 10 4 24 1 11 7 12 1 12 7 13 1 13 30 16 1 14 35 8 1 15 1 9 1 16 1 11 1 17 9 6 1 18 9 22 1 19 16 10 ar 20 16 12 ar 21 6 11 ar 22 6 10 ar 23 11 19 ar 24 10 15 ar 25 12 21 ar 26 31 17 1 27 24 19 1 28 24 5 2 29 19 20 ar 30 2 21 1 31 21 23 ar 32 15 23 ar 33 15 20 ar 34 23 39 1 35 8 17 1 36 20 3 2 37 17 13 1 38 17 32 1 39 13 27 1 40 13 26 1 41 22 36 1 42 22 38 1 43 22 37 1