@MOLECULE 6-fluoro-1-methyl-7-(4-methyl-4-oxido-piperazin-4-ium-1-yl)-4-oxo-quinolin-1-ium-3-ide-3-carboxylic acid 42 44 0 0 0 SMALL USER_CHARGES @ATOM 1 F -1.2481 -2.6980 -0.1934 F 1 UNL1111111 0.0314 2 O -5.2362 1.3355 0.9519 O.3 1 UNL1111111 -0.4686 3 O 3.6579 -2.0327 -0.1276 O.2 1 UNL1111111 -0.1489 4 O 5.9934 -0.9340 0.1831 O.3 1 UNL1111111 -0.3333 5 O 6.1596 1.2794 0.0291 O.2 1 UNL1111111 -0.4160 6 N -5.2691 0.3827 0.0654 N.4 1 UNL1111111 0.2818 7 N -2.4712 -0.2473 -0.1930 N.3 1 UNL1111111 -0.2946 8 N 2.0408 1.7100 0.0223 N.4 1 UNL1111111 0.1973 9 C -4.4533 0.7817 -1.1584 C.3 1 UNL1111111 -0.4960 10 C -4.6739 -0.8948 0.6453 C.3 1 UNL1111111 -0.4808 11 C -2.9946 1.0312 -0.7270 C.3 1 UNL1111111 -0.3985 12 C -3.2089 -0.6312 1.0373 C.3 1 UNL1111111 -0.3551 13 C -6.6963 0.1188 -0.3556 C.3 1 UNL1111111 -1.0493 14 C -1.0636 -0.3413 -0.0815 C.3 1 UNL1111111 0.3062 15 C -0.2173 0.7667 -0.0294 C.3 1 UNL1111111 -0.3702 16 C -0.4711 -1.6290 -0.1197 C.3 1 UNL1111111 -0.1566 17 C 1.1800 0.5976 -0.0255 C.3 1 UNL1111111 -0.0652 18 C 1.7389 -0.6897 -0.0613 C.3 1 UNL1111111 0.0859 19 C 0.8990 -1.8081 -0.1087 C.3 1 UNL1111111 -0.1862 20 C 3.2077 -0.9138 -0.0574 C.2 1 UNL1111111 -0.0488 21 C 3.3942 1.5442 0.0534 C.3 1 UNL1111111 -0.3565 22 C 3.9938 0.3091 0.0254 C.3 1 UNL1111111 0.1804 23 C 1.4867 3.0671 0.0494 C.3 1 UNL1111111 -0.6618 24 C 5.4486 0.2953 0.0707 C.2 1 UNL1111111 0.1524 25 H -4.5075 -0.0167 -1.9233 H 1 UNL1111111 0.2987 26 H -5.2559 -1.1745 1.5482 H 1 UNL1111111 0.2875 27 H -4.7435 -1.7146 -0.0956 H 1 UNL1111111 0.3023 28 H -4.8813 1.7141 -1.5793 H 1 UNL1111111 0.2528 29 H -3.1734 0.1799 1.8071 H 1 UNL1111111 0.2593 30 H -2.7662 -1.5414 1.4909 H 1 UNL1111111 0.2627 31 H -2.3921 1.3422 -1.6064 H 1 UNL1111111 0.2296 32 H -2.9740 1.8552 0.0272 H 1 UNL1111111 0.2753 33 H -7.1352 1.0450 -0.7617 H 1 UNL1111111 0.3337 34 H -6.7625 -0.6833 -1.0976 H 1 UNL1111111 0.3451 35 H -7.2961 -0.1389 0.5333 H 1 UNL1111111 0.3597 36 H -0.6499 1.7613 0.0278 H 1 UNL1111111 0.2045 37 H 1.3497 -2.8104 -0.1462 H 1 UNL1111111 0.2495 38 H 4.0117 2.4626 0.1027 H 1 UNL1111111 0.3136 39 H 0.8586 3.2170 0.9489 H 1 UNL1111111 0.2649 40 H 0.8740 3.2577 -0.8524 H 1 UNL1111111 0.2265 41 H 2.2861 3.8295 0.0729 H 1 UNL1111111 0.2420 42 H 6.9868 -0.9004 0.2046 H 1 UNL1111111 0.3428 @BOND 1 25 9 1 2 31 11 1 3 28 9 1 4 9 11 1 5 9 6 1 6 34 13 1 7 40 23 1 8 33 13 1 9 11 7 1 10 11 32 1 11 13 6 1 12 13 35 1 13 1 16 1 14 7 14 1 15 7 12 1 16 37 19 1 17 3 20 2 18 16 19 1 19 16 14 1 20 19 18 1 21 27 10 1 22 14 15 1 23 18 20 1 24 18 17 1 25 20 22 1 26 15 17 1 27 15 36 1 28 17 8 1 29 8 23 1 30 8 21 1 31 22 21 1 32 22 24 1 33 5 24 2 34 23 41 1 35 23 39 1 36 21 38 1 37 6 10 1 38 6 2 1 39 24 4 1 40 4 42 1 41 10 12 1 42 10 26 1 43 12 30 1 44 12 29 1