@MOLECULE 1-cyclopropyl-7-(4-ethylpiperazin-1-yl)-6-fluoro-4-oxo-5,8-dihydro-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 -1.3273 2.9582 0.4481 F 1 UNL11111111 -0.1442 2 O 3.5870 2.3704 0.2106 O.2 1 UNL11111111 -0.4290 3 O 5.9417 1.2984 0.0820 O.3 1 UNL11111111 -0.4760 4 O 6.1183 -0.8970 -0.2309 O.2 1 UNL11111111 -0.5783 5 N 2.0055 -1.3549 -0.3005 N.4 1 UNL11111111 -0.3114 6 N -2.5246 0.5052 0.1057 N.3 1 UNL11111111 -0.4067 7 N -5.2858 -0.1283 -0.2843 N.3 1 UNL11111111 -0.4288 8 C 1.4718 -2.6906 -0.4938 C.3 1 UNL11111111 0.0003 9 C 2.0970 -3.8534 0.2581 C.3 1 UNL11111111 -0.3169 10 C 0.7277 -3.3660 0.6484 C.3 1 UNL11111111 -0.3175 11 C 1.1335 -0.2596 -0.1388 C.3 1 UNL11111111 0.2332 12 C 3.3600 -1.1772 -0.2915 C.3 1 UNL11111111 0.1889 13 C -3.0327 -0.8515 0.4070 C.3 1 UNL11111111 -0.1077 14 C -3.2864 1.1050 -1.0161 C.3 1 UNL11111111 -0.0925 15 C 1.6805 1.0180 0.0510 C.3 1 UNL11111111 -0.2349 16 C -1.1235 0.6389 0.0107 C.3 1 UNL11111111 0.2076 17 C -0.2601 -0.4421 -0.1781 C.3 1 UNL11111111 -0.3479 18 C -4.5148 -0.7161 0.8375 C.3 1 UNL11111111 -0.1194 19 C -4.7653 1.2304 -0.5810 C.3 1 UNL11111111 -0.1259 20 C 3.9462 0.0501 -0.1095 C.3 1 UNL11111111 -0.4196 21 C 3.1452 1.2553 0.0664 C.2 1 UNL11111111 0.5105 22 C -0.5416 1.9167 0.2238 C.3 1 UNL11111111 0.0640 23 C 0.8257 2.1119 0.2354 C.3 1 UNL11111111 -0.0735 24 C -6.7384 -0.0784 0.0215 C.3 1 UNL11111111 -0.0951 25 C -7.3354 -1.4869 -0.0882 C.3 1 UNL11111111 -0.4465 26 C 5.4014 0.0749 -0.0989 C.2 1 UNL11111111 0.6765 27 H 1.1239 -2.8402 -1.5293 H 1 UNL11111111 0.1763 28 H 2.9356 -3.6912 0.9348 H 1 UNL11111111 0.1770 29 H 2.2168 -4.8089 -0.2486 H 1 UNL11111111 0.1686 30 H -0.1517 -3.9680 0.4338 H 1 UNL11111111 0.1655 31 H 0.5952 -2.8386 1.5933 H 1 UNL11111111 0.1788 32 H 3.9820 -2.0814 -0.4432 H 1 UNL11111111 0.1947 33 H -2.4457 -1.2842 1.2451 H 1 UNL11111111 0.1423 34 H -2.9609 -1.5383 -0.4643 H 1 UNL11111111 0.1337 35 H -3.2175 0.4761 -1.9326 H 1 UNL11111111 0.1372 36 H -2.8854 2.1059 -1.2726 H 1 UNL11111111 0.1525 37 H -0.6723 -1.4281 -0.3724 H 1 UNL11111111 0.1759 38 H -4.9215 -1.7244 1.0612 H 1 UNL11111111 0.1396 39 H -4.5797 -0.1125 1.7689 H 1 UNL11111111 0.1316 40 H -4.8436 1.9237 0.2843 H 1 UNL11111111 0.1347 41 H -5.3547 1.6635 -1.4170 H 1 UNL11111111 0.1411 42 H 1.2633 3.1072 0.3986 H 1 UNL11111111 0.2039 43 H -6.9529 0.3569 1.0205 H 1 UNL11111111 0.1151 44 H -7.2287 0.5817 -0.7294 H 1 UNL11111111 0.1369 45 H -6.9868 -1.9818 -1.0054 H 1 UNL11111111 0.1618 46 H -7.0495 -2.1231 0.7547 H 1 UNL11111111 0.1411 47 H -8.4289 -1.4474 -0.1229 H 1 UNL11111111 0.1438 48 H 6.9351 1.2691 0.0869 H 1 UNL11111111 0.3387 @BOND 1 35 14 1 2 27 8 1 3 41 19 1 4 36 14 1 5 14 19 1 6 14 6 1 7 45 25 1 8 44 24 1 9 19 7 1 10 19 40 1 11 8 5 1 12 8 9 1 13 8 10 1 14 34 13 1 15 32 12 1 16 37 17 1 17 5 12 1 18 5 11 1 19 12 20 1 20 7 24 1 21 7 18 1 22 29 9 1 23 4 26 2 24 17 11 1 25 17 16 1 26 11 15 1 27 47 25 1 28 20 26 1 29 20 21 1 30 26 3 1 31 25 24 1 32 25 46 1 33 16 6 1 34 16 22 1 35 24 43 1 36 15 21 1 37 15 23 1 38 21 2 2 39 3 48 1 40 6 13 1 41 22 23 1 42 22 1 1 43 23 42 1 44 9 10 1 45 9 28 1 46 13 18 1 47 13 33 1 48 30 10 1 49 10 31 1 50 18 38 1 51 18 39 1