@MOLECULE 1-cyclopropyl-8-(difluoromethoxy)-6-fluoro-7-[(1S,3S)-3-methylpiperazin-1-yl]-4-oxo-2,5-dihydroquinoline-2,3,4a,5,6,7,8,8a-octaide-3-carboxylic acid 49 52 0 0 0 SMALL USER_CHARGES @ATOM 1 F 1.5277 3.1493 -0.5313 F 1 UNL11111111 -0.1487 2 F 0.6061 -1.8591 2.1582 F 1 UNL11111111 -0.2339 3 F 1.8156 -3.1284 0.9994 F 1 UNL11111111 -0.2076 4 O 0.7871 -1.5438 -0.0346 O.3 1 UNL11111111 -0.3851 5 O -3.3776 2.7209 -0.2576 O.2 1 UNL11111111 -0.4259 6 O -5.6073 1.7770 0.8108 O.3 1 UNL11111111 -0.4918 7 O -6.0739 -0.3237 0.2391 O.2 1 UNL11111111 -0.5631 8 N -1.9690 -1.0940 -0.1201 N.4 1 UNL11111111 -0.2845 9 N 2.6442 0.4677 -0.1835 N.3 1 UNL11111111 -0.4306 10 N 5.4344 0.1091 -0.5849 N.3 1 UNL11111111 -0.5612 11 C -1.5520 -2.4682 -0.3485 C.3 1 UNL11111111 0.0169 12 C -2.2727 -3.2742 -1.4179 C.3 1 UNL11111111 -0.3378 13 C -0.8569 -2.8204 -1.6527 C.3 1 UNL11111111 -0.2946 14 C -1.0470 -0.0365 -0.1451 C.3 1 UNL11111111 0.1718 15 C -3.3027 -0.8458 0.0498 C.3 1 UNL11111111 0.1904 16 C 0.3512 -0.2429 -0.1130 C.3 1 UNL11111111 0.0703 17 C -1.5244 1.2858 -0.1839 C.3 1 UNL11111111 -0.2043 18 C 1.2734 0.8115 -0.2522 C.3 1 UNL11111111 0.1129 19 C 3.6004 1.5139 0.2386 C.3 1 UNL11111111 -0.1133 20 C 4.9228 0.7892 0.6312 C.3 1 UNL11111111 0.0663 21 C 3.1354 -0.2392 -1.3962 C.3 1 UNL11111111 -0.0955 22 C 4.4803 -0.9214 -1.0473 C.3 1 UNL11111111 -0.1145 23 C -3.8184 0.4234 0.1122 C.3 1 UNL11111111 -0.4209 24 C -2.9800 1.5901 -0.1112 C.2 1 UNL11111111 0.5121 25 C -0.6339 2.3542 -0.2897 C.3 1 UNL11111111 -0.0895 26 C 0.7282 2.1094 -0.3542 C.3 1 UNL11111111 0.0648 27 C 5.9529 1.8215 1.0982 C.3 1 UNL11111111 -0.4736 28 C -5.2466 0.5538 0.3638 C.2 1 UNL11111111 0.6807 29 C 1.4955 -1.8388 1.1567 C.3 1 UNL11111111 0.4558 30 H -1.2377 -2.9609 0.5849 H 1 UNL11111111 0.1862 31 H -3.0806 -2.8299 -1.9971 H 1 UNL11111111 0.1757 32 H -2.4883 -4.3242 -1.2318 H 1 UNL11111111 0.1699 33 H -0.0345 -3.5332 -1.6343 H 1 UNL11111111 0.1717 34 H -0.6500 -2.0422 -2.3847 H 1 UNL11111111 0.1717 35 H -3.9624 -1.7317 0.1381 H 1 UNL11111111 0.1972 36 H 3.1986 2.0572 1.1176 H 1 UNL11111111 0.1484 37 H 3.8258 2.2486 -0.5652 H 1 UNL11111111 0.1525 38 H 4.7101 0.0630 1.4572 H 1 UNL11111111 0.1170 39 H 3.2801 0.4653 -2.2451 H 1 UNL11111111 0.1449 40 H 2.3933 -1.0035 -1.7116 H 1 UNL11111111 0.1537 41 H 4.3148 -1.7276 -0.3012 H 1 UNL11111111 0.1214 42 H 4.8979 -1.3965 -1.9618 H 1 UNL11111111 0.1439 43 H 6.3605 -0.2821 -0.4325 H 1 UNL11111111 0.2614 44 H -1.0340 3.3785 -0.3385 H 1 UNL11111111 0.2092 45 H 5.5643 2.4326 1.9201 H 1 UNL11111111 0.1540 46 H 6.8741 1.3436 1.4486 H 1 UNL11111111 0.1489 47 H 6.2324 2.4999 0.2798 H 1 UNL11111111 0.1667 48 H 2.3807 -1.1656 1.3517 H 1 UNL11111111 0.1973 49 H -6.5867 1.8520 0.9534 H 1 UNL11111111 0.3424 @BOND 1 34 13 1 2 39 21 1 3 31 12 1 4 42 22 1 5 40 21 1 6 13 33 1 7 13 12 1 8 13 11 1 9 12 32 1 10 12 11 1 11 21 22 1 12 21 9 1 13 22 10 1 14 22 41 1 15 10 43 1 16 10 20 1 17 37 19 1 18 1 26 1 19 26 25 1 20 26 18 1 21 11 8 1 22 11 30 1 23 44 25 1 24 25 17 1 25 5 24 2 26 18 9 1 27 18 16 1 28 17 14 1 29 17 24 1 30 9 19 1 31 14 8 1 32 14 16 1 33 8 15 1 34 16 4 1 35 24 23 1 36 4 29 1 37 15 23 1 38 15 35 1 39 23 28 1 40 19 20 1 41 19 36 1 42 7 28 2 43 47 27 1 44 28 6 1 45 20 27 1 46 20 38 1 47 6 49 1 48 3 29 1 49 27 46 1 50 27 45 1 51 29 48 1 52 29 2 1