@MOLECULE 6-fluoro-1-(4-fluorocyclohexyl)-4-oxo-7-piperazin-1-yl-5,8-dihydro-2H-quinoline-2,3,4a,5,6,7,8,8a-octaide-3-carboxylic acid 45 48 0 0 0 SMALL USER_CHARGES @ATOM 1 F -2.1020 -3.5510 -0.2510 F 1 UNL11111111 -0.1448 2 F -0.2527 5.8107 0.0810 F 1 UNL11111111 -0.1602 3 O 2.8565 -3.2181 -0.3317 O.2 1 UNL11111111 -0.4327 4 O 5.1592 -2.2924 0.5960 O.3 1 UNL11111111 -0.4908 5 O 5.6175 -0.2445 -0.1495 O.2 1 UNL11111111 -0.5577 6 N -3.1429 -0.9957 -0.1297 N.3 1 UNL11111111 -0.4065 7 N -5.8640 -0.2153 0.2181 N.3 1 UNL11111111 -0.5371 8 N 1.4951 0.6003 0.0022 N.4 1 UNL11111111 -0.3227 9 C -3.5809 0.3653 -0.5132 C.3 1 UNL11111111 -0.1054 10 C -3.9228 -1.4831 1.0341 C.3 1 UNL11111111 -0.0879 11 C -5.0715 0.2819 -0.9295 C.3 1 UNL11111111 -0.1132 12 C -5.4089 -1.5686 0.6119 C.3 1 UNL11111111 -0.1186 13 C -1.7545 -1.2124 -0.0614 C.3 1 UNL11111111 0.2149 14 C 0.5567 -0.4503 -0.0499 C.3 1 UNL11111111 0.2444 15 C -0.8209 -0.1739 -0.0195 C.3 1 UNL11111111 -0.3570 16 C 1.0237 -1.7701 -0.1201 C.3 1 UNL11111111 -0.2403 17 C -1.2528 -2.5401 -0.1511 C.3 1 UNL11111111 0.0555 18 C 0.0990 -2.8207 -0.1774 C.3 1 UNL11111111 -0.0689 19 C 2.4696 -2.0876 -0.1535 C.2 1 UNL11111111 0.5134 20 C 2.8419 0.3455 0.0452 C.3 1 UNL11111111 0.1901 21 C 3.3418 -0.9275 0.0096 C.3 1 UNL11111111 -0.4070 22 C 1.0464 1.9637 0.0268 C.3 1 UNL11111111 0.0854 23 C 0.5722 2.5076 1.2267 C.3 1 UNL11111111 -0.1185 24 C 1.0890 2.7148 -1.1533 C.3 1 UNL11111111 -0.1139 25 C 4.7872 -1.0875 0.1113 C.2 1 UNL11111111 0.6772 26 C 0.1256 3.8238 1.2498 C.3 1 UNL11111111 -0.2097 27 C 0.6485 4.0338 -1.1386 C.3 1 UNL11111111 -0.2097 28 C 0.1732 4.5585 0.0638 C.3 1 UNL11111111 0.2097 29 H -3.4662 1.0980 0.3158 H 1 UNL11111111 0.1363 30 H -2.9772 0.7181 -1.3765 H 1 UNL11111111 0.1429 31 H -3.5668 -2.4784 1.3639 H 1 UNL11111111 0.1507 32 H -3.8198 -0.7922 1.9020 H 1 UNL11111111 0.1382 33 H -5.4376 1.2973 -1.1915 H 1 UNL11111111 0.1392 34 H -5.1677 -0.3587 -1.8330 H 1 UNL11111111 0.1301 35 H -5.5227 -2.3194 -0.2001 H 1 UNL11111111 0.1329 36 H -6.0214 -1.9055 1.4753 H 1 UNL11111111 0.1416 37 H -6.8586 -0.2175 -0.0028 H 1 UNL11111111 0.2566 38 H -1.1619 0.8557 0.0521 H 1 UNL11111111 0.1782 39 H 0.4706 -3.8523 -0.2558 H 1 UNL11111111 0.2028 40 H 3.5083 1.2254 0.1160 H 1 UNL11111111 0.1920 41 H 0.5510 1.9004 2.1346 H 1 UNL11111111 0.1799 42 H 1.4616 2.2678 -2.0779 H 1 UNL11111111 0.1810 43 H -0.2497 4.2680 2.1723 H 1 UNL11111111 0.1837 44 H 0.6748 4.6388 -2.0456 H 1 UNL11111111 0.1834 45 H 6.1454 -2.3993 0.6283 H 1 UNL11111111 0.3428 @BOND 1 42 24 1 2 44 27 1 3 34 11 1 4 30 9 1 5 33 11 1 6 24 27 1 7 24 22 1 8 27 28 1 9 11 9 1 10 11 7 1 11 9 6 1 12 9 29 1 13 3 19 2 14 39 18 1 15 1 17 1 16 35 12 1 17 18 17 1 18 18 16 1 19 19 16 1 20 19 21 1 21 17 13 1 22 5 25 2 23 6 13 1 24 6 10 1 25 16 14 1 26 13 15 1 27 14 15 1 28 14 8 1 29 15 38 1 30 37 7 1 31 8 22 1 32 8 20 1 33 21 20 1 34 21 25 1 35 22 23 1 36 20 40 1 37 28 2 1 38 28 26 1 39 25 4 1 40 7 12 1 41 4 45 1 42 12 10 1 43 12 36 1 44 10 31 1 45 10 32 1 46 23 26 1 47 23 41 1 48 26 43 1