@MOLECULE 1-(4-amino-2-fluoro-cyclohexyl)-6-fluoro-7-[4-[2-(4-methoxycyclohexyl)-2-oxo-ethyl]piperazin-1-yl]-4-oxo-5,8-dihydro-2H-quinoline-2,3,4a,5,6,7,8,8a-octaide-3-carboxylic acid 66 70 0 0 0 SMALL USER_CHARGES @ATOM 1 F 1.3346 -4.1526 0.3892 F 1 UNL11111111 -0.1495 2 F 2.5317 2.6505 1.6260 F 1 UNL11111111 -0.1443 3 O -5.5439 -1.2503 -2.6656 O.2 1 UNL11111111 -0.4677 4 O 5.9415 -2.3291 0.7443 O.2 1 UNL11111111 -0.4388 5 O 7.8099 -0.5708 1.3236 O.3 1 UNL11111111 -0.4875 6 O 7.7002 1.3247 0.1632 O.2 1 UNL11111111 -0.5687 7 O -7.6450 2.2163 2.1048 O.3 1 UNL11111111 -0.3144 8 N -0.3594 -2.0964 -0.3520 N.3 1 UNL11111111 -0.4099 9 N -3.2014 -2.1164 -0.5590 N.3 1 UNL11111111 -0.4163 10 N 3.5650 0.8352 -0.2087 N.4 1 UNL11111111 -0.2752 11 N 0.3572 5.1640 -1.7507 N.3 1 UNL11111111 -0.6075 12 C -1.1996 -2.5155 0.7941 C.3 1 UNL11111111 -0.0890 13 C -1.0567 -1.0629 -1.1509 C.3 1 UNL11111111 -0.1053 14 C -2.4900 -3.1553 0.2270 C.3 1 UNL11111111 -0.1220 15 C -2.3586 -1.6907 -1.7041 C.3 1 UNL11111111 -0.1221 16 C 0.9962 -1.8489 -0.0580 C.3 1 UNL11111111 0.2052 17 C -4.5180 -2.6049 -1.0212 C.3 1 UNL11111111 -0.2297 18 C 1.5854 -0.5915 -0.2002 C.3 1 UNL11111111 -0.3446 19 C 2.9706 -0.4286 -0.0267 C.3 1 UNL11111111 0.2411 20 C 1.8454 -2.9353 0.2848 C.3 1 UNL11111111 0.0570 21 C 3.7842 -1.5147 0.3254 C.3 1 UNL11111111 -0.2354 22 C -5.3401 -1.3969 -1.4830 C.2 1 UNL11111111 0.4882 23 C 3.2039 -2.7793 0.4829 C.3 1 UNL11111111 -0.0721 24 C 5.2472 -1.3666 0.5162 C.2 1 UNL11111111 0.5157 25 C -5.9018 -0.4762 -0.4808 C.3 1 UNL11111111 -0.2423 26 C 4.9027 1.0263 0.0047 C.3 1 UNL11111111 0.2008 27 C 5.7357 0.0000 0.3695 C.3 1 UNL11111111 -0.4184 28 C 2.7605 1.9464 -0.5979 C.3 1 UNL11111111 -0.0936 29 C -7.0355 0.2714 -0.8366 C.3 1 UNL11111111 -0.0103 30 C -5.3231 -0.3090 0.7771 C.3 1 UNL11111111 -0.0082 31 C 2.2453 2.8433 0.3518 C.3 1 UNL11111111 0.2840 32 C 2.4527 2.1520 -1.9519 C.3 1 UNL11111111 -0.0117 33 C 7.1389 0.3305 0.5734 C.2 1 UNL11111111 0.6791 34 C -7.5991 1.1619 0.0610 C.3 1 UNL11111111 -0.2903 35 C -5.8673 0.5868 1.6935 C.3 1 UNL11111111 -0.3367 36 C 1.4509 3.9224 0.0018 C.3 1 UNL11111111 -0.3918 37 C 1.6590 3.2146 -2.3367 C.3 1 UNL11111111 -0.3365 38 C 1.1498 4.1131 -1.3650 C.3 1 UNL11111111 0.3395 39 C -7.0022 1.3121 1.3259 C.3 1 UNL11111111 0.2921 40 C -7.1048 2.4724 3.3947 C.3 1 UNL11111111 -0.2035 41 H -1.4610 -1.6477 1.4419 H 1 UNL11111111 0.1370 42 H -0.6679 -3.2478 1.4325 H 1 UNL11111111 0.1509 43 H -0.4100 -0.7566 -2.0017 H 1 UNL11111111 0.1461 44 H -1.2996 -0.1551 -0.5561 H 1 UNL11111111 0.1363 45 H -2.2315 -4.0543 -0.3734 H 1 UNL11111111 0.1390 46 H -3.1381 -3.4836 1.0660 H 1 UNL11111111 0.1392 47 H -2.1107 -2.5285 -2.3916 H 1 UNL11111111 0.1380 48 H -2.9142 -0.9302 -2.2961 H 1 UNL11111111 0.1532 49 H -5.0473 -3.1089 -0.1833 H 1 UNL11111111 0.1602 50 H -4.4522 -3.3441 -1.8510 H 1 UNL11111111 0.1521 51 H 0.9694 0.2748 -0.4303 H 1 UNL11111111 0.1795 52 H 3.8478 -3.6299 0.7465 H 1 UNL11111111 0.2019 53 H 5.2850 2.0549 -0.1385 H 1 UNL11111111 0.1936 54 H -7.4674 0.1458 -1.8349 H 1 UNL11111111 0.1711 55 H -4.4225 -0.8728 1.0456 H 1 UNL11111111 0.1792 56 H 2.8460 1.4565 -2.7005 H 1 UNL11111111 0.1751 57 H 1.0672 4.6043 0.7553 H 1 UNL11111111 0.1869 58 H 1.4232 3.3666 -3.3863 H 1 UNL11111111 0.1720 59 H -8.4803 1.7452 -0.1918 H 1 UNL11111111 0.1763 60 H -5.4069 0.7088 2.6669 H 1 UNL11111111 0.1654 61 H 8.7681 -0.3340 1.4267 H 1 UNL11111111 0.3399 62 H 0.1461 5.3278 -2.7103 H 1 UNL11111111 0.3092 63 H 0.0026 5.8167 -1.0867 H 1 UNL11111111 0.3094 64 H -7.1377 1.5727 4.0173 H 1 UNL11111111 0.1367 65 H -6.0896 2.8738 3.3202 H 1 UNL11111111 0.1353 66 H -7.7922 3.2357 3.7859 H 1 UNL11111111 0.1567 @BOND 1 58 37 1 2 62 11 1 3 56 32 1 4 3 22 2 5 47 15 1 6 37 32 1 7 37 38 1 8 48 15 1 9 43 13 1 10 32 28 1 11 50 17 1 12 54 29 1 13 11 38 1 14 11 63 1 15 15 13 1 16 15 9 1 17 22 17 1 18 22 25 1 19 38 36 1 20 13 44 1 21 13 8 1 22 17 9 1 23 17 49 1 24 29 25 1 25 29 34 1 26 28 10 1 27 28 31 1 28 9 14 1 29 25 30 1 30 51 18 1 31 45 14 1 32 8 16 1 33 8 12 1 34 10 19 1 35 10 26 1 36 18 16 1 37 18 19 1 38 59 34 1 39 53 26 1 40 16 20 1 41 19 21 1 42 36 31 1 43 36 57 1 44 26 27 1 45 34 39 1 46 6 33 2 47 14 12 1 48 14 46 1 49 20 1 1 50 20 23 1 51 21 23 1 52 21 24 1 53 31 2 1 54 27 24 1 55 27 33 1 56 23 52 1 57 24 4 2 58 33 5 1 59 30 55 1 60 30 35 1 61 12 42 1 62 12 41 1 63 5 61 1 64 39 35 1 65 39 7 1 66 35 60 1 67 7 40 1 68 65 40 1 69 40 66 1 70 40 64 1