@MOLECULE 1-cyclopropyl-6-fluoro-4-oxo-7-[(1S)-3-oxopiperazin-1-yl]-5,8-dihydro-2H-quinoline-2,3,4a,5,6,7,8,8a-octaide-3-carboxylic acid 41 44 0 0 0 SMALL USER_CHARGES @ATOM 1 F 1.8596 -2.7089 -0.8365 F 1 UNL11111111 -0.1469 2 O -3.0756 -2.4299 -0.4912 O.2 1 UNL11111111 -0.4278 3 O 5.5763 -0.8176 1.8735 O.2 1 UNL11111111 -0.5128 4 O -5.3472 -1.6704 0.6076 O.3 1 UNL11111111 -0.4825 5 O -5.7946 0.5051 0.4411 O.2 1 UNL11111111 -0.5667 6 N -1.7075 1.3352 0.2477 N.4 1 UNL11111111 -0.3176 7 N 2.9034 -0.1545 -0.4940 N.3 1 UNL11111111 -0.4007 8 N 5.5446 0.7611 0.2743 N.am 1 UNL11111111 -0.5983 9 C -1.2662 2.7058 0.4276 C.3 1 UNL11111111 0.0001 10 C -0.6784 3.4578 -0.7572 C.3 1 UNL11111111 -0.3209 11 C -2.0441 3.8254 -0.2430 C.3 1 UNL11111111 -0.3133 12 C -0.7744 0.3154 -0.0188 C.3 1 UNL11111111 0.2493 13 C -3.0392 1.0466 0.3836 C.3 1 UNL11111111 0.1866 14 C -1.2429 -0.9900 -0.2320 C.3 1 UNL11111111 -0.2496 15 C 0.6032 0.5961 -0.0516 C.3 1 UNL11111111 -0.3645 16 C 1.5326 -0.4134 -0.3222 C.3 1 UNL11111111 0.2233 17 C -3.5421 -0.2149 0.2067 C.3 1 UNL11111111 -0.4117 18 C -2.6856 -1.3266 -0.1914 C.2 1 UNL11111111 0.5133 19 C -0.3246 -2.0118 -0.4992 C.3 1 UNL11111111 -0.0554 20 C 3.3025 1.2641 -0.5474 C.3 1 UNL11111111 -0.1203 21 C 1.0248 -1.7230 -0.5444 C.3 1 UNL11111111 0.0418 22 C 3.8219 -1.0360 0.2571 C.3 1 UNL11111111 -0.1700 23 C 4.8164 1.3395 -0.8520 C.3 1 UNL11111111 -0.0732 24 C 5.0333 -0.3598 0.8903 C.2 1 UNL11111111 0.5594 25 C -4.9747 -0.3884 0.4081 C.2 1 UNL11111111 0.6777 26 H -0.8445 2.8672 1.4335 H 1 UNL11111111 0.1765 27 H -0.5857 2.9590 -1.7220 H 1 UNL11111111 0.1781 28 H 0.1646 4.1260 -0.6032 H 1 UNL11111111 0.1636 29 H -2.1971 4.7602 0.2930 H 1 UNL11111111 0.1694 30 H -2.9218 3.6041 -0.8506 H 1 UNL11111111 0.1786 31 H -3.7045 1.8898 0.6515 H 1 UNL11111111 0.1930 32 H 0.9423 1.6059 0.1557 H 1 UNL11111111 0.1736 33 H 3.0802 1.8084 0.3980 H 1 UNL11111111 0.1394 34 H 2.7304 1.7543 -1.3685 H 1 UNL11111111 0.1570 35 H -0.7009 -3.0298 -0.6792 H 1 UNL11111111 0.2049 36 H 4.2148 -1.7993 -0.4677 H 1 UNL11111111 0.1905 37 H 3.2921 -1.6002 1.0643 H 1 UNL11111111 0.1832 38 H 5.0486 0.7725 -1.7868 H 1 UNL11111111 0.1617 39 H 5.1275 2.3919 -1.0179 H 1 UNL11111111 0.1440 40 H 6.3419 1.2425 0.6548 H 1 UNL11111111 0.3258 41 H -6.3299 -1.7625 0.7210 H 1 UNL11111111 0.3415 @BOND 1 38 23 1 2 27 10 1 3 34 20 1 4 39 23 1 5 23 20 1 6 23 8 1 7 30 11 1 8 1 21 1 9 10 28 1 10 10 11 1 11 10 9 1 12 35 19 1 13 20 7 1 14 20 33 1 15 21 19 1 16 21 16 1 17 19 14 1 18 7 16 1 19 7 22 1 20 2 18 2 21 36 22 1 22 16 15 1 23 11 29 1 24 11 9 1 25 14 18 1 26 14 12 1 27 18 17 1 28 15 12 1 29 15 32 1 30 12 6 1 31 17 13 1 32 17 25 1 33 6 13 1 34 6 9 1 35 22 24 1 36 22 37 1 37 8 40 1 38 8 24 am 39 13 31 1 40 25 5 2 41 25 4 1 42 9 26 1 43 4 41 1 44 24 3 2