@MOLECULE 1-cyclopropyl-7-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-5,6,8-trifluoro-4-oxo-2H-quinoline-2,3,4a,5,6,7,8,8a-octaide-3-carboxylic acid 48 51 0 0 0 SMALL USER_CHARGES @ATOM 1 F 0.8913 -1.7219 0.6027 F 1 UNL11111111 -0.1331 2 F 1.5360 2.7776 -0.6113 F 1 UNL11111111 -0.1172 3 F -1.0750 3.1385 -0.6294 F 1 UNL11111111 -0.0897 4 O -3.3907 2.2070 -0.6489 O.2 1 UNL11111111 -0.3940 5 O -5.6737 1.4228 0.4044 O.3 1 UNL11111111 -0.4850 6 O -6.0335 -0.7746 0.3361 O.2 1 UNL11111111 -0.5645 7 N -1.9063 -1.4495 0.3537 N.4 1 UNL11111111 -0.3001 8 N 2.6770 0.1889 0.1140 N.3 1 UNL11111111 -0.4129 9 N 5.4584 -0.2880 0.0721 N.3 1 UNL11111111 -0.5846 10 C -1.4562 -2.8208 0.5224 C.3 1 UNL11111111 0.0096 11 C -2.1864 -3.9266 -0.2245 C.3 1 UNL11111111 -0.3327 12 C -0.7966 -3.5347 -0.6460 C.3 1 UNL11111111 -0.3019 13 C -1.0030 -0.3980 0.1351 C.3 1 UNL11111111 0.2043 14 C 4.5138 -1.3589 -0.3308 C.3 1 UNL11111111 0.0649 15 C 4.8599 0.5852 1.1127 C.3 1 UNL11111111 0.0647 16 C 3.2624 -0.6686 -0.9429 C.3 1 UNL11111111 -0.0945 17 C 3.6032 1.2726 0.4958 C.3 1 UNL11111111 -0.1053 18 C 1.3151 0.4819 -0.0352 C.3 1 UNL11111111 0.1905 19 C -3.2550 -1.2081 0.4096 C.3 1 UNL11111111 0.1863 20 C 0.3938 -0.5569 0.2214 C.3 1 UNL11111111 -0.0107 21 C -1.5145 0.8845 -0.1541 C.3 1 UNL11111111 -0.2902 22 C -3.8001 0.0223 0.1666 C.3 1 UNL11111111 -0.4085 23 C 5.1807 -2.2446 -1.3875 C.3 1 UNL11111111 -0.4734 24 C 5.8820 1.6524 1.5141 C.3 1 UNL11111111 -0.4711 25 C 0.7622 1.7436 -0.3326 C.3 1 UNL11111111 -0.0377 26 C -2.9728 1.1522 -0.2432 C.2 1 UNL11111111 0.5167 27 C -0.6175 1.9333 -0.3668 C.3 1 UNL11111111 0.2433 28 C -5.2466 0.1473 0.2937 C.2 1 UNL11111111 0.6767 29 H -1.1068 -3.0111 1.5513 H 1 UNL11111111 0.1813 30 H -3.0284 -3.6979 -0.8766 H 1 UNL11111111 0.1771 31 H -2.3613 -4.8764 0.2768 H 1 UNL11111111 0.1699 32 H 0.0436 -4.2004 -0.4581 H 1 UNL11111111 0.1691 33 H -0.6475 -3.0098 -1.5890 H 1 UNL11111111 0.1754 34 H 4.1889 -1.9809 0.5433 H 1 UNL11111111 0.1261 35 H 4.5405 0.0002 2.0136 H 1 UNL11111111 0.1239 36 H 3.5618 -0.0638 -1.8293 H 1 UNL11111111 0.1465 37 H 2.5378 -1.4287 -1.2903 H 1 UNL11111111 0.1433 38 H 3.1305 1.9253 1.2581 H 1 UNL11111111 0.1503 39 H 3.9180 1.8972 -0.3682 H 1 UNL11111111 0.1502 40 H 6.3512 -0.6697 0.3722 H 1 UNL11111111 0.2638 41 H -3.8983 -2.0722 0.6684 H 1 UNL11111111 0.1943 42 H 4.4746 -2.9709 -1.8031 H 1 UNL11111111 0.1510 43 H 5.5737 -1.6411 -2.2176 H 1 UNL11111111 0.1660 44 H 6.0243 -2.8046 -0.9696 H 1 UNL11111111 0.1494 45 H 6.2706 2.1796 0.6314 H 1 UNL11111111 0.1663 46 H 5.4401 2.3989 2.1830 H 1 UNL11111111 0.1541 47 H 6.7409 1.2124 2.0322 H 1 UNL11111111 0.1486 48 H -6.6631 1.4867 0.4649 H 1 UNL11111111 0.3431 @BOND 1 43 23 1 2 36 16 1 3 42 23 1 4 33 12 1 5 23 44 1 6 23 14 1 7 37 16 1 8 16 14 1 9 16 8 1 10 30 11 1 11 4 26 2 12 12 32 1 13 12 11 1 14 12 10 1 15 3 27 1 16 2 25 1 17 39 17 1 18 27 25 1 19 27 21 1 20 25 18 1 21 14 9 1 22 14 34 1 23 26 21 1 24 26 22 1 25 11 31 1 26 11 10 1 27 21 13 1 28 18 8 1 29 18 20 1 30 9 40 1 31 9 15 1 32 8 17 1 33 13 20 1 34 13 7 1 35 22 28 1 36 22 19 1 37 20 1 1 38 28 6 2 39 28 5 1 40 7 19 1 41 7 10 1 42 5 48 1 43 19 41 1 44 17 15 1 45 17 38 1 46 10 29 1 47 45 24 1 48 15 24 1 49 15 35 1 50 24 47 1 51 24 46 1