@MOLECULE (1R)-6,8-difluoro-1-(2-fluoroethyl)-7-(4-methylpiperazin-1-yl)-1-oxido-4-oxo-quinolin-1-ium-3-carboxylic acid 45 47 0 0 0 SMALL USER_CHARGES @ATOM 1 F -1.0671 -1.5004 0.5587 F 1 UNL11111111 -0.0867 2 F -1.9294 2.9485 -0.7180 F 1 UNL11111111 -0.1435 3 F 2.4918 -4.1421 -1.6560 F 1 UNL11111111 -0.2080 4 O 1.2406 -1.9055 1.3397 O.3 1 UNL11111111 -0.6818 5 O 3.0720 2.2893 -1.2405 O.2 1 UNL11111111 -0.3602 6 O 4.7804 2.3067 1.0484 O.3 1 UNL11111111 -0.5163 7 O 5.8195 0.3557 0.7011 O.2 1 UNL11111111 -0.4828 8 N -2.9661 0.3312 0.0040 N.pl3 1 UNL11111111 -0.4036 9 N 1.6721 -1.1767 0.3524 N.4 1 UNL11111111 0.3612 10 N -5.7513 -0.1159 0.3698 N.3 1 UNL11111111 -0.4001 11 C -3.9434 1.0418 -0.8447 C.3 1 UNL11111111 -0.0978 12 C -3.5111 0.1175 1.3658 C.3 1 UNL11111111 -0.0890 13 C -5.1794 0.1133 -0.9800 C.3 1 UNL11111111 -0.1262 14 C -4.7535 -0.7955 1.2338 C.3 1 UNL11111111 -0.1236 15 C -1.6178 0.7029 -0.0664 C.ar 1 UNL11111111 0.1066 16 C 0.7160 -0.0740 0.0570 C.ar 1 UNL11111111 -0.0359 17 C -0.6485 -0.3042 0.2019 C.ar 1 UNL11111111 0.1568 18 C 1.1699 1.1773 -0.3811 C.ar 1 UNL11111111 -0.1656 19 C 1.8300 -2.0205 -0.9195 C.3 1 UNL11111111 -0.2477 20 C -1.1023 1.9420 -0.4878 C.ar 1 UNL11111111 0.0926 21 C 3.0230 -0.6557 0.7155 C.2 1 UNL11111111 0.0536 22 C 0.2599 2.1852 -0.6659 C.ar 1 UNL11111111 -0.1176 23 C -6.9901 -0.9170 0.2794 C.3 1 UNL11111111 -0.2829 24 C 2.6210 1.4420 -0.5174 C.2 1 UNL11111111 0.4803 25 C 3.4604 0.5411 0.3093 C.2 1 UNL11111111 -0.2840 26 C 2.2706 -3.4399 -0.5150 C.3 1 UNL11111111 -0.0480 27 C 4.8080 1.0067 0.6815 C.2 1 UNL11111111 0.6548 28 H -4.2667 2.0134 -0.4094 H 1 UNL11111111 0.1476 29 H -3.5130 1.2267 -1.8504 H 1 UNL11111111 0.1440 30 H -3.8012 1.0849 1.8366 H 1 UNL11111111 0.1434 31 H -2.7587 -0.3576 2.0274 H 1 UNL11111111 0.1535 32 H -5.9441 0.6180 -1.6077 H 1 UNL11111111 0.1414 33 H -4.8877 -0.8277 -1.4933 H 1 UNL11111111 0.1311 34 H -4.4484 -1.7915 0.8465 H 1 UNL11111111 0.1347 35 H -5.2037 -0.9481 2.2381 H 1 UNL11111111 0.1440 36 H 0.8508 -2.0668 -1.4460 H 1 UNL11111111 0.1814 37 H 2.5497 -1.5369 -1.6094 H 1 UNL11111111 0.1652 38 H 3.5782 -1.3561 1.3567 H 1 UNL11111111 0.2103 39 H 0.6164 3.1635 -1.0119 H 1 UNL11111111 0.2013 40 H -7.7319 -0.3652 -0.3221 H 1 UNL11111111 0.1477 41 H -7.4171 -1.0315 1.2900 H 1 UNL11111111 0.1489 42 H -6.8583 -1.9170 -0.1599 H 1 UNL11111111 0.1225 43 H 3.2028 -3.4321 0.0942 H 1 UNL11111111 0.1445 44 H 1.4731 -3.9455 0.0876 H 1 UNL11111111 0.1758 45 H 5.6777 2.6700 1.2724 H 1 UNL11111111 0.3582 @BOND 1 29 11 1 2 3 26 1 3 37 19 1 4 32 13 1 5 33 13 1 6 36 19 1 7 5 24 2 8 39 22 1 9 13 11 1 10 13 10 1 11 19 26 1 12 19 9 1 13 11 28 1 14 11 8 1 15 2 20 1 16 22 20 ar 17 22 18 ar 18 24 18 1 19 24 25 1 20 26 44 1 21 26 43 1 22 20 15 ar 23 18 16 ar 24 40 23 1 25 42 23 1 26 15 8 1 27 15 17 ar 28 8 12 1 29 16 17 ar 30 16 9 1 31 17 1 1 32 23 10 1 33 23 41 1 34 25 27 1 35 25 21 2 36 9 21 1 37 9 4 1 38 10 14 1 39 27 7 2 40 27 6 1 41 21 38 1 42 34 14 1 43 6 45 1 44 14 12 1 45 14 35 1 46 12 30 1 47 12 31 1