@MOLECULE 1-cyclopropyl-7-[(1S,3S)-3-(ethylaminomethyl)pyrrolidin-1-yl]-6,8-difluoro-4-oxo-2,5-dihydroquinoline-2,3,4a,5,6,7,8,8a-octaide-3-carboxylic acid 51 54 0 0 0 SMALL USER_CHARGES @ATOM 1 F -0.4443 -1.3879 0.2951 F 1 UNL11111111 -0.1616 2 F -0.5421 3.2899 -0.4392 F 1 UNL11111111 -0.1571 3 O 4.2458 2.1557 -0.4621 O.2 1 UNL11111111 -0.4435 4 O 6.3299 1.0482 0.8039 O.3 1 UNL11111111 -0.4907 5 O 6.5258 -1.1246 0.3586 O.2 1 UNL11111111 -0.5668 6 N 2.3352 -1.3821 0.1524 N.4 1 UNL11111111 -0.3042 7 N -2.0058 0.9481 0.1355 N.3 1 UNL11111111 -0.3898 8 N -6.6360 -0.2962 0.3375 N.3 1 UNL11111111 -0.5473 9 C 1.7580 -2.7124 0.0648 C.3 1 UNL11111111 0.0121 10 C 2.4179 -3.7288 -0.8565 C.3 1 UNL11111111 -0.3313 11 C 1.0823 -3.1444 -1.2262 C.3 1 UNL11111111 -0.3039 12 C -4.2637 0.2607 0.5868 C.3 1 UNL11111111 -0.1275 13 C -2.8051 -0.2458 0.4740 C.3 1 UNL11111111 -0.0803 14 C -4.3152 1.4639 -0.3686 C.3 1 UNL11111111 -0.2903 15 C -2.8827 2.0276 -0.3760 C.3 1 UNL11111111 -0.0639 16 C 1.5583 -0.2165 0.0193 C.3 1 UNL11111111 0.2284 17 C -0.6543 0.9373 -0.0435 C.3 1 UNL11111111 0.2306 18 C -5.2658 -0.8400 0.2035 C.3 1 UNL11111111 -0.1293 19 C 0.1512 -0.2232 0.0853 C.3 1 UNL11111111 -0.0894 20 C 3.6973 -1.2951 0.2846 C.3 1 UNL11111111 0.1835 21 C 2.2189 1.0109 -0.1592 C.3 1 UNL11111111 -0.2759 22 C 0.0932 2.1368 -0.2817 C.3 1 UNL11111111 -0.0031 23 C 4.3788 -0.1120 0.1981 C.3 1 UNL11111111 -0.4124 24 C 1.4682 2.1796 -0.3274 C.3 1 UNL11111111 -0.0408 25 C 3.6923 1.1239 -0.1616 C.2 1 UNL11111111 0.5250 26 C -7.6579 -1.2748 -0.1060 C.3 1 UNL11111111 -0.0882 27 C 5.8154 -0.1445 0.4310 C.2 1 UNL11111111 0.6807 28 C -9.0499 -0.7509 0.2590 C.3 1 UNL11111111 -0.4553 29 H 1.3563 -3.0480 1.0346 H 1 UNL11111111 0.1783 30 H 3.2983 -3.4603 -1.4394 H 1 UNL11111111 0.1775 31 H 2.4945 -4.7642 -0.5330 H 1 UNL11111111 0.1674 32 H 0.1826 -3.7535 -1.1810 H 1 UNL11111111 0.1659 33 H 1.0108 -2.4453 -2.0592 H 1 UNL11111111 0.1764 34 H -4.4627 0.6028 1.6283 H 1 UNL11111111 0.1479 35 H -2.7304 -1.0225 -0.3171 H 1 UNL11111111 0.1448 36 H -2.4613 -0.6695 1.4411 H 1 UNL11111111 0.1545 37 H -4.6378 1.1566 -1.3791 H 1 UNL11111111 0.1577 38 H -5.0570 2.2101 -0.0396 H 1 UNL11111111 0.1608 39 H -2.5890 2.3383 -1.3997 H 1 UNL11111111 0.1471 40 H -2.8129 2.9050 0.3058 H 1 UNL11111111 0.1557 41 H -5.1170 -1.1460 -0.8565 H 1 UNL11111111 0.1466 42 H -5.0945 -1.7446 0.8265 H 1 UNL11111111 0.1145 43 H 4.2331 -2.2446 0.4768 H 1 UNL11111111 0.1912 44 H 2.0033 3.1289 -0.4892 H 1 UNL11111111 0.2057 45 H -6.8144 0.0092 1.2924 H 1 UNL11111111 0.2549 46 H -7.5036 -2.2867 0.3262 H 1 UNL11111111 0.1093 47 H -7.5661 -1.3745 -1.2115 H 1 UNL11111111 0.1407 48 H -9.8334 -1.3661 -0.1964 H 1 UNL11111111 0.1487 49 H -9.1868 0.2784 -0.1011 H 1 UNL11111111 0.1626 50 H -9.2154 -0.7460 1.3411 H 1 UNL11111111 0.1433 51 H 7.3132 1.0110 0.9311 H 1 UNL11111111 0.3411 @BOND 1 33 11 1 2 30 10 1 3 39 15 1 4 37 14 1 5 11 32 1 6 11 10 1 7 11 9 1 8 47 26 1 9 41 18 1 10 10 31 1 11 10 9 1 12 44 24 1 13 3 25 2 14 2 22 1 15 15 14 1 16 15 7 1 17 15 40 1 18 14 38 1 19 14 12 1 20 24 22 1 21 24 21 1 22 35 13 1 23 22 17 1 24 48 28 1 25 25 21 1 26 25 23 1 27 21 16 1 28 26 28 1 29 26 46 1 30 26 8 1 31 49 28 1 32 17 19 1 33 17 7 1 34 16 19 1 35 16 6 1 36 9 6 1 37 9 29 1 38 19 1 1 39 7 13 1 40 6 20 1 41 23 20 1 42 23 27 1 43 18 8 1 44 18 12 1 45 18 42 1 46 28 50 1 47 20 43 1 48 8 45 1 49 5 27 2 50 27 4 1 51 13 12 1 52 13 36 1 53 12 34 1 54 4 51 1