@MOLECULE 1-cyclopropyl-6-fluoro-8-methoxy-7-{3-methyl-4-[(5-nitro-2,6-dioxohexahydro-4-pyrimidinyl)carbonyl]-1-piperazinyl}-4-oxo-1,4-dihydro-3-quinolinecarboxylic acid 40 46 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 F 1.7159 3.3144 0.2164 F 1 UNL1 -0.0389 2 O 1.7966 -1.4682 -0.2487 O.2 1 UNL1 -0.2134 3 O 6.5528 2.2118 0.2041 O.2 1 UNL1 -0.3443 4 O -4.0923 2.0228 0.4072 O.3 1 UNL1 -0.2262 5 O 8.7865 0.9761 0.0528 O.co2 1 UNL1 -0.0375 6 O 8.8492 -1.2324 -0.1066 O.co2 1 UNL1 -0.4430 7 O -8.4575 -0.8545 0.2568 O.2 1 UNL1 0.0485 8 O -5.9945 2.0031 -1.1449 O.2 1 UNL1 -0.4829 9 O -7.9776 1.5272 -0.4327 O.2 1 UNL1 -0.3924 10 O -4.9131 -3.7160 0.4062 O.2 1 UNL1 -0.3775 11 N 4.6390 -1.4244 -0.1091 N.ar 1 UNL1 -0.1899 12 N 0.2681 0.8457 0.0126 N.ar 1 UNL1 -0.0573 13 N -2.5097 0.5771 -0.0346 N.pl3 1 UNL1 -0.3055 14 N -4.4577 -1.4809 0.2571 N.2 1 UNL1 -0.5411 15 N -6.7963 1.2621 -0.5783 N.pl3 1 UNL1 0.7078 16 N -6.7468 -2.3245 0.4120 N.am 1 UNL1 -0.5791 17 C 3.8452 -0.2501 -0.0421 C.ar 1 UNL1 0.1194 18 C 4.5285 0.9973 0.0739 C.ar 1 UNL1 -0.1769 19 C 2.4390 -0.2545 -0.0879 C.ar 1 UNL1 0.0132 20 C 1.6622 0.9293 0.0176 C.ar 1 UNL1 0.0420 21 C 6.0186 1.1409 0.1016 C.ar 1 UNL1 0.5049 22 C 4.1393 -2.6850 -0.1583 C.3 1 UNL1 -0.2049 23 C 2.3495 2.1713 0.1337 C.ar 1 UNL1 0.1375 24 C 6.7359 -0.1394 -0.0086 C.ar 1 UNL1 -0.4387 25 C 3.7117 2.0824 0.1486 C.ar 1 UNL1 0.0931 26 C 5.9752 -1.2299 -0.0952 C.ar 1 UNL1 0.3710 27 C 3.1509 -3.5808 -0.1631 C.3 1 UNL1 0.0078 28 C 4.4218 -4.1749 -0.2406 C.3 1 UNL1 0.2927 29 C -0.4934 1.9788 0.2423 C.2 1 UNL1 0.0990 30 C -1.8534 1.8716 0.2397 C.2 1 UNL1 -0.3952 31 C -3.8890 0.7621 0.0860 C.3 1 UNL1 0.5455 32 C -4.9336 -0.2839 0.0407 C.3 1 UNL1 0.2429 33 C -0.3208 -0.4245 -0.1753 C.ar 1 UNL1 -0.3625 34 C 8.2041 -0.2094 -0.0270 C.2 1 UNL1 0.5317 35 C -6.3052 0.0288 -0.1036 C.3 1 UNL1 -0.4408 36 C -1.6848 -0.4545 -0.2194 C.3 1 UNL1 0.4612 37 C -7.1803 -1.0875 0.1986 C.2 1 UNL1 0.4110 38 C -5.3771 -2.6112 0.3563 C.1 1 UNL1 0.6898 39 C 0.5261 -1.6271 -0.3122 C.ar 1 UNL1 0.4126 40 C -2.9292 2.8172 0.5061 C.3 1 UNL1 0.5164 @BOND 1 8 15 2 2 15 9 2 3 15 35 1 4 39 2 ar 5 39 33 ar 6 2 19 ar 7 28 27 1 8 28 22 1 9 36 33 1 10 36 13 1 11 33 12 ar 12 27 22 1 13 22 11 1 14 11 26 ar 15 11 17 ar 16 6 34 ar 17 35 32 1 18 35 37 1 19 26 24 ar 20 19 17 ar 21 19 20 ar 22 17 18 ar 23 13 31 1 24 13 30 1 25 34 24 1 26 34 5 ar 27 24 21 ar 28 12 20 ar 29 12 29 1 30 20 23 ar 31 32 31 1 32 32 14 1 33 18 21 ar 34 18 25 ar 35 31 4 1 36 21 3 2 37 23 25 ar 38 23 1 1 39 37 7 2 40 37 16 am 41 30 29 2 42 30 40 1 43 14 38 2 44 38 10 2 45 38 16 am 46 4 40 1