@MOLECULE 6,8-difluoro-1-(2-fluoroethyl)-4-oxo-7-(1-piperazinyl)-1,4-dihydro-3-quinolinecarboxylic acid 41 43 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 F -1.2723 1.6353 0.4947 F 1 UNL1 -0.1477 2 F -2.1141 -2.8396 -0.5887 F 1 UNL1 -0.1440 3 F 1.9877 3.8567 -0.9741 F 1 UNL1 -0.1995 4 O 2.7602 -2.6916 -0.1338 O.2 1 UNL1 -0.4197 5 O 5.1899 -1.7841 -0.4048 O.3 1 UNL1 -0.4838 6 O 5.6249 0.2357 0.4247 O.2 1 UNL1 -0.5636 7 N -3.1271 -0.2031 0.1064 N.pl3 1 UNL1 -0.4141 8 N -5.9182 0.2864 -0.0398 N.3 1 UNL1 -0.5336 9 N 1.5603 1.1533 0.5226 N.ar 1 UNL1 -0.3037 10 C -4.0781 -1.2330 0.5765 C.3 1 UNL1 -0.0951 11 C -3.6852 0.5304 -1.0548 C.3 1 UNL1 -0.0856 12 C -5.3327 -0.4761 1.0876 C.3 1 UNL1 -0.1185 13 C -4.9490 1.2779 -0.5610 C.3 1 UNL1 -0.1182 14 C -1.7712 -0.5720 -0.0163 C.ar 1 UNL1 0.1329 15 C 0.5822 0.1764 0.2562 C.ar 1 UNL1 0.1551 16 C -0.8082 0.4222 0.2427 C.ar 1 UNL1 0.0373 17 C 1.0041 -1.1431 -0.0064 C.ar 1 UNL1 -0.1981 18 C -1.2731 -1.8635 -0.2882 C.ar 1 UNL1 0.0617 19 C 0.0801 -2.1533 -0.2743 C.ar 1 UNL1 -0.0954 20 C 1.2322 2.5534 0.8364 C.3 1 UNL1 -0.1209 21 C 2.4424 -1.5332 -0.0116 C.ar 1 UNL1 0.5081 22 C 2.8907 0.8444 0.4175 C.ar 1 UNL1 0.1929 23 C 3.3562 -0.4178 0.1592 C.ar 1 UNL1 -0.4169 24 C 0.8525 3.3458 -0.4294 C.3 1 UNL1 -0.0788 25 C 4.8013 -0.5912 0.0942 C.2 1 UNL1 0.6753 26 H -4.3907 -1.9390 -0.2244 H 1 UNL1 0.1481 27 H -3.6242 -1.8122 1.4066 H 1 UNL1 0.1457 28 H -2.9472 1.2526 -1.4544 H 1 UNL1 0.1394 29 H -3.9572 -0.1635 -1.8826 H 1 UNL1 0.1429 30 H -6.0881 -1.2108 1.4392 H 1 UNL1 0.1425 31 H -5.0544 0.1676 1.9490 H 1 UNL1 0.1269 32 H -4.6573 2.0375 0.1958 H 1 UNL1 0.1270 33 H -5.4219 1.8102 -1.4134 H 1 UNL1 0.1400 34 H -6.7831 0.7436 0.2448 H 1 UNL1 0.2557 35 H 0.4468 -3.1713 -0.4807 H 1 UNL1 0.2119 36 H 0.4387 2.6051 1.6156 H 1 UNL1 0.1764 37 H 2.1106 3.0333 1.3422 H 1 UNL1 0.1731 38 H 3.6064 1.6790 0.5681 H 1 UNL1 0.1970 39 H 0.3557 2.7069 -1.1982 H 1 UNL1 0.1584 40 H 0.1644 4.1874 -0.1807 H 1 UNL1 0.1469 41 H 6.1790 -1.8770 -0.4257 H 1 UNL1 0.3422 @BOND 1 29 11 1 2 28 11 1 3 33 13 1 4 39 24 1 5 11 13 1 6 11 7 1 7 3 24 1 8 2 18 1 9 13 8 1 10 13 32 1 11 35 19 1 12 24 40 1 13 24 20 1 14 41 5 1 15 5 25 1 16 18 19 ar 17 18 14 ar 18 19 17 ar 19 26 10 1 20 4 21 2 21 8 34 1 22 8 12 1 23 14 7 1 24 14 16 ar 25 21 17 ar 26 21 23 ar 27 17 15 ar 28 25 23 1 29 25 6 2 30 7 10 1 31 23 22 ar 32 16 15 ar 33 16 1 1 34 15 9 ar 35 22 9 ar 36 22 38 1 37 9 20 1 38 10 12 1 39 10 27 1 40 20 37 1 41 20 36 1 42 12 30 1 43 12 31 1