@MOLECULE 1-(2-carboxyphenyl)-7-chloro-6-[(2-chloro-4,6-difluorophenyl)amino]-4-oxo-1,4-dihydro-3-quinolinecarboxylic acid 46 49 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 CL 0.7632 -3.5375 0.8154 Cl 1 UNL1 -0.0532 2 CL 1.9942 -0.4224 -1.7301 Cl 1 UNL1 -0.0285 3 F 5.2767 -0.9195 2.0663 F 1 UNL1 -0.1331 4 F 6.6461 1.3580 -1.7659 F 1 UNL1 -0.1472 5 O 0.2609 3.0940 0.9704 O.2 1 UNL1 -0.5119 6 O -1.5942 4.9604 0.6971 O.3 1 UNL1 -0.5297 7 O -3.6666 4.2567 0.4973 O.2 1 UNL1 -0.4992 8 O -3.4553 -1.1323 -3.1868 O.3 1 UNL1 -0.5407 9 O -3.0601 0.7874 -2.1157 O.2 1 UNL1 -0.4711 10 N -2.6308 0.2551 0.5962 N.ar 1 UNL1 -0.3256 11 N 2.7547 -1.2885 1.1331 N.pl3 1 UNL1 -0.4714 12 C -1.2925 -0.1602 0.7402 C.ar 1 UNL1 0.1897 13 C -0.2851 0.8143 0.8720 C.ar 1 UNL1 -0.1689 14 C -3.6484 -0.7334 0.3695 C.ar 1 UNL1 0.1713 15 C 1.0455 0.4294 1.0084 C.ar 1 UNL1 -0.0855 16 C -2.9525 1.5853 0.4900 C.ar 1 UNL1 0.2507 17 C -0.9551 -1.5243 0.7508 C.ar 1 UNL1 -0.2376 18 C -0.6167 2.2558 0.8436 C.ar 1 UNL1 0.5299 19 C 1.4025 -0.9258 0.9810 C.ar 1 UNL1 0.1257 20 C -2.0156 2.5728 0.6529 C.ar 1 UNL1 -0.4617 21 C 0.3747 -1.8779 0.8611 C.ar 1 UNL1 -0.0009 22 C -4.0583 -1.0525 -0.9340 C.ar 1 UNL1 -0.1621 23 C -4.2109 -1.3789 1.4717 C.ar 1 UNL1 -0.1793 24 C 3.7189 -0.6466 0.3252 C.ar 1 UNL1 0.0652 25 C -5.0284 -2.0348 -1.1261 C.ar 1 UNL1 -0.0612 26 C -2.4986 3.9662 0.6048 C.2 1 UNL1 0.6821 27 C -5.1864 -2.3532 1.2651 C.ar 1 UNL1 -0.0907 28 C -5.5910 -2.6827 -0.0268 C.ar 1 UNL1 -0.1598 29 C -3.4752 -0.3419 -2.0872 C.2 1 UNL1 0.6357 30 C 3.4941 -0.1590 -0.9700 C.ar 1 UNL1 -0.0006 31 C 5.0113 -0.4461 0.8623 C.ar 1 UNL1 0.1865 32 C 4.4624 0.5312 -1.6887 C.ar 1 UNL1 -0.2296 33 C 6.0185 0.2203 0.1755 C.ar 1 UNL1 -0.2628 34 C 5.7106 0.7080 -1.0956 C.ar 1 UNL1 0.2185 35 H 1.8183 1.2026 1.1260 H 1 UNL1 0.2062 36 H -4.0169 1.8256 0.2959 H 1 UNL1 0.2021 37 H -1.7253 -2.2913 0.6542 H 1 UNL1 0.1868 38 H -3.8892 -1.1222 2.4829 H 1 UNL1 0.1835 39 H 2.9613 -2.2523 1.3834 H 1 UNL1 0.3224 40 H -5.3434 -2.2973 -2.1414 H 1 UNL1 0.1809 41 H -5.6329 -2.8603 2.1227 H 1 UNL1 0.1638 42 H -6.3506 -3.4499 -0.1810 H 1 UNL1 0.1654 43 H 4.2542 0.9198 -2.6894 H 1 UNL1 0.2012 44 H 7.0068 0.3648 0.6171 H 1 UNL1 0.2014 45 H -0.6521 4.6243 0.8082 H 1 UNL1 0.3781 46 H -3.0543 -0.6853 -3.9796 H 1 UNL1 0.3652 @BOND 1 46 8 1 2 8 29 1 3 43 32 1 4 40 25 1 5 9 29 2 6 29 22 1 7 4 34 1 8 2 30 1 9 32 34 ar 10 32 30 ar 11 25 22 ar 12 25 28 ar 13 34 33 ar 14 30 24 ar 15 22 14 ar 16 42 28 1 17 28 27 ar 18 33 44 1 19 33 31 ar 20 36 16 1 21 24 31 ar 22 24 11 1 23 14 10 1 24 14 23 ar 25 16 10 ar 26 16 20 ar 27 7 26 2 28 10 12 ar 29 26 20 1 30 26 6 1 31 20 18 ar 32 37 17 1 33 6 45 1 34 12 17 ar 35 12 13 ar 36 17 21 ar 37 1 21 1 38 18 13 ar 39 18 5 2 40 21 19 ar 41 31 3 1 42 13 15 ar 43 19 15 ar 44 19 11 1 45 15 35 1 46 11 39 1 47 27 23 ar 48 27 41 1 49 23 38 1