@MOLECULE 6-fluoro-1-(2-fluoroethyl)-4-oxo-7-(1h-pyrrol-1-yl)-1,4-dihydro-3-quinolinecarboxylic acid 35 37 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 F 2.6161 -2.6331 -0.5892 F 1 UNL1 -0.1302 2 F -1.6693 3.7015 -1.0859 F 1 UNL1 -0.1877 3 O -2.3367 -2.5563 -0.5143 O.2 1 UNL1 -0.4133 4 O -4.7564 -1.8777 0.1281 O.3 1 UNL1 -0.4796 5 O -5.2186 0.2881 0.3614 O.2 1 UNL1 -0.5606 6 N -1.1694 1.2116 0.5386 N.ar 1 UNL1 -0.3188 7 N 3.5062 -0.0652 0.1053 N.ar 1 UNL1 -0.2220 8 C -0.1868 0.2474 0.2500 C.ar 1 UNL1 0.2238 9 C -0.5867 -1.0590 -0.0861 C.ar 1 UNL1 -0.2099 10 C 1.1809 0.5669 0.3118 C.ar 1 UNL1 -0.3061 11 C -0.7946 2.6070 0.8094 C.3 1 UNL1 -0.1226 12 C 2.1445 -0.4073 0.0427 C.ar 1 UNL1 0.1828 13 C -2.4995 0.8910 0.4717 C.ar 1 UNL1 0.1969 14 C -2.0226 -1.4431 -0.1693 C.ar 1 UNL1 0.5037 15 C 0.3723 -2.0357 -0.3614 C.ar 1 UNL1 -0.0647 16 C -2.9445 -0.3715 0.1788 C.ar 1 UNL1 -0.4130 17 C 1.7174 -1.7079 -0.2993 C.ar 1 UNL1 0.0637 18 C -0.4928 3.3725 -0.4948 C.3 1 UNL1 -0.0868 19 C 4.0418 1.1438 -0.3580 C.ar 1 UNL1 -0.0940 20 C 4.5313 -0.8239 0.6786 C.ar 1 UNL1 -0.0552 21 C -4.3864 -0.5835 0.2231 C.2 1 UNL1 0.6725 22 C 5.4017 1.1349 -0.0874 C.ar 1 UNL1 -0.2015 23 C 5.7084 -0.0972 0.5673 C.ar 1 UNL1 -0.2174 24 H 1.5137 1.5652 0.5889 H 1 UNL1 0.1784 25 H -1.6136 3.1107 1.3804 H 1 UNL1 0.1738 26 H 0.0888 2.6370 1.4913 H 1 UNL1 0.1675 27 H -3.2195 1.7068 0.6847 H 1 UNL1 0.1978 28 H 0.0418 -3.0506 -0.6325 H 1 UNL1 0.2116 29 H 0.0768 4.3073 -0.2808 H 1 UNL1 0.1454 30 H 0.1045 2.7554 -1.2089 H 1 UNL1 0.1572 31 H 3.4424 1.8778 -0.8541 H 1 UNL1 0.1616 32 H 4.3566 -1.7826 1.1260 H 1 UNL1 0.1748 33 H 6.1060 1.9034 -0.3244 H 1 UNL1 0.1623 34 H 6.6785 -0.3946 0.9049 H 1 UNL1 0.1668 35 H -5.7444 -1.9869 0.1563 H 1 UNL1 0.3426 @BOND 1 30 18 1 2 2 18 1 3 31 19 1 4 28 15 1 5 1 17 1 6 3 14 2 7 18 29 1 8 18 11 1 9 15 17 ar 10 15 9 ar 11 19 22 ar 12 19 7 ar 13 33 22 1 14 17 12 ar 15 14 9 ar 16 14 16 ar 17 22 23 ar 18 9 8 ar 19 12 7 1 20 12 10 ar 21 7 20 ar 22 4 35 1 23 4 21 1 24 16 21 1 25 16 13 ar 26 21 5 2 27 8 10 ar 28 8 6 ar 29 10 24 1 30 13 6 ar 31 13 27 1 32 6 11 1 33 23 20 ar 34 23 34 1 35 20 32 1 36 11 25 1 37 11 26 1