@MOLECULE 1-(2,4-difluorophenyl)-6-fluoro-7-[(3r)-3-methyl-1-piperazinyl]-4-oxo-1,4-dihydro-3-quinolinecarboxylic acid 48 51 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 F -1.6410 3.8483 -1.0350 F 1 UNL1 -0.1417 2 F 1.4516 -2.2210 -2.0825 F 1 UNL1 -0.1243 3 F -0.9535 -5.5428 0.1429 F 1 UNL1 -0.1506 4 O 3.1541 3.1162 0.0359 O.2 1 UNL1 -0.4238 5 O 5.3935 1.9922 0.6444 O.3 1 UNL1 -0.4774 6 O 5.4737 -0.2155 0.9071 O.2 1 UNL1 -0.5698 7 N -2.9479 1.4243 -0.9392 N.pl3 1 UNL1 -0.3931 8 N -4.6936 -0.1771 0.8316 N.3 1 UNL1 -0.5344 9 N 1.4135 -0.5642 0.1456 N.ar 1 UNL1 -0.3013 10 C -4.1125 1.1110 1.2683 C.3 1 UNL1 0.0317 11 C -3.8326 2.0562 0.0617 C.3 1 UNL1 -0.1501 12 C -3.4622 0.1048 -1.3541 C.3 1 UNL1 -0.1492 13 C -3.8350 -0.8283 -0.1744 C.3 1 UNL1 -0.1494 14 C -1.5681 1.5117 -0.6443 C.ar 1 UNL1 0.2080 15 C -5.0679 1.7955 2.2471 C.3 1 UNL1 -0.4672 16 C -0.7628 0.4042 -0.3777 C.ar 1 UNL1 -0.3473 17 C 0.6144 0.5594 -0.1508 C.ar 1 UNL1 0.2368 18 C -0.9292 2.7793 -0.7145 C.ar 1 UNL1 0.0625 19 C 1.2140 1.8244 -0.1888 C.ar 1 UNL1 -0.2297 20 C 0.4244 2.9417 -0.4873 C.ar 1 UNL1 -0.0722 21 C 2.6628 2.0137 0.0707 C.ar 1 UNL1 0.5094 22 C 2.7583 -0.4381 0.3747 C.ar 1 UNL1 0.1996 23 C 3.3876 0.7792 0.3631 C.ar 1 UNL1 -0.4084 24 C 0.8221 -1.8642 0.1514 C.ar 1 UNL1 0.0048 25 C 0.8487 -2.6703 -0.9994 C.ar 1 UNL1 0.2194 26 C 0.1824 -2.3356 1.3053 C.ar 1 UNL1 -0.0710 27 C 4.8150 0.7732 0.6574 C.2 1 UNL1 0.6730 28 C 0.2542 -3.9283 -1.0288 C.ar 1 UNL1 -0.2879 29 C -0.4232 -3.5863 1.3057 C.ar 1 UNL1 -0.2425 30 C -0.3745 -4.3554 0.1403 C.ar 1 UNL1 0.2517 31 H -3.1441 0.8785 1.7845 H 1 UNL1 0.1485 32 H -4.7798 2.3226 -0.4574 H 1 UNL1 0.1550 33 H -3.4039 3.0096 0.4286 H 1 UNL1 0.1620 34 H -2.7311 -0.3872 -2.0300 H 1 UNL1 0.1541 35 H -4.3661 0.3071 -1.9764 H 1 UNL1 0.1572 36 H -4.3530 -1.7348 -0.5532 H 1 UNL1 0.1472 37 H -2.9221 -1.1904 0.3476 H 1 UNL1 0.1447 38 H -5.6416 -0.0517 0.4805 H 1 UNL1 0.2566 39 H -4.6085 2.6845 2.6940 H 1 UNL1 0.1555 40 H -6.0036 2.1045 1.7693 H 1 UNL1 0.1491 41 H -5.3327 1.1134 3.0680 H 1 UNL1 0.1670 42 H -1.2061 -0.5872 -0.3335 H 1 UNL1 0.1770 43 H 0.9020 3.9301 -0.5441 H 1 UNL1 0.2037 44 H 3.3149 -1.3722 0.5836 H 1 UNL1 0.1964 45 H 0.1566 -1.7102 2.2036 H 1 UNL1 0.1854 46 H 0.2790 -4.5496 -1.9262 H 1 UNL1 0.2037 47 H -0.9281 -3.9564 2.1998 H 1 UNL1 0.1908 48 H 6.3655 1.9458 0.8483 H 1 UNL1 0.3403 @BOND 1 2 25 1 2 34 12 1 3 35 12 1 4 46 28 1 5 12 7 1 6 12 13 1 7 1 18 1 8 28 25 ar 9 28 30 ar 10 25 24 ar 11 7 14 1 12 7 11 1 13 18 14 ar 14 18 20 ar 15 14 16 ar 16 36 13 1 17 43 20 1 18 20 19 ar 19 32 11 1 20 16 42 1 21 16 17 ar 22 19 17 ar 23 19 21 ar 24 13 37 1 25 13 8 1 26 17 9 ar 27 4 21 2 28 11 33 1 29 11 10 1 30 21 23 ar 31 30 3 1 32 30 29 ar 33 9 24 1 34 9 22 ar 35 24 26 ar 36 23 22 ar 37 23 27 1 38 22 44 1 39 38 8 1 40 5 27 1 41 5 48 1 42 27 6 2 43 8 10 1 44 10 31 1 45 10 15 1 46 26 29 ar 47 26 45 1 48 29 47 1 49 40 15 1 50 15 39 1 51 15 41 1