@MOLECULE 5-amino-7-[(1R,3R,4S)-3-(1-aminocyclopropyl)-4-fluoro-pyrrolidin-1-yl]-6-fluoro-1-[(1R,2S)-2-fluorocyclopropyl]-8-methyl-4-oxo-2H-quinoline-2,3,4a,5,6,7,8,8a-octaide-3-carboxylic acid 54 58 0 0 0 SMALL USER_CHARGES @ATOM 1 F 4.1079 -1.7007 0.5565 F 1 UNL11111111 -0.2336 2 F -1.0819 -1.8834 2.3485 F 1 UNL11111111 -0.1503 3 F 0.7133 3.1409 1.2920 F 1 UNL11111111 -0.1350 4 O -4.1177 2.0061 0.1601 O.2 1 UNL11111111 -0.5085 5 O -5.7531 1.0510 -1.7091 O.3 1 UNL11111111 -0.4921 6 O -6.0328 -1.1429 -1.4445 O.2 1 UNL11111111 -0.5638 7 N 2.2253 1.0379 0.7919 N.3 1 UNL11111111 -0.4262 8 N 4.2365 -0.6372 -2.2483 N.3 1 UNL11111111 -0.6378 9 N -1.9668 -1.3756 -0.3467 N.4 1 UNL11111111 -0.3170 10 N -1.9870 3.3174 0.8645 N.3 1 UNL11111111 -0.5583 11 C 5.1321 -0.0001 -1.3030 C.3 1 UNL11111111 0.1758 12 C 4.4402 0.5862 -0.0868 C.3 1 UNL11111111 -0.1752 13 C 6.3223 0.7559 -1.8796 C.3 1 UNL11111111 -0.3417 14 C 6.5588 -0.5234 -1.1171 C.3 1 UNL11111111 -0.3867 15 C 4.1554 -0.4375 1.0434 C.3 1 UNL11111111 0.0782 16 C 3.0811 1.2497 -0.4038 C.3 1 UNL11111111 -0.0930 17 C 2.7761 -0.0556 1.6256 C.3 1 UNL11111111 -0.1435 18 C -1.4743 -2.6736 0.0647 C.3 1 UNL11111111 -0.0292 19 C 0.8250 0.9362 0.5023 C.3 1 UNL11111111 0.2224 20 C -1.0010 -2.9162 1.5050 C.3 1 UNL11111111 0.0450 21 C -2.3075 -3.5005 1.0398 C.3 1 UNL11111111 -0.3808 22 C 0.1590 -0.1997 -0.0133 C.3 1 UNL11111111 -0.2033 23 C -1.2429 -0.1913 -0.0450 C.3 1 UNL11111111 0.2757 24 C 0.0914 2.0768 0.8048 C.3 1 UNL11111111 -0.0503 25 C -1.9860 0.9955 0.1592 C.3 1 UNL11111111 -0.3749 26 C -1.3156 2.1629 0.6120 C.3 1 UNL11111111 0.3134 27 C -3.2820 -1.3227 -0.7319 C.3 1 UNL11111111 0.1892 28 C 0.9498 -1.3164 -0.6011 C.3 1 UNL11111111 -0.4271 29 C -3.4280 1.0434 -0.1222 C.2 1 UNL11111111 0.5569 30 C -3.9879 -0.1537 -0.7372 C.3 1 UNL11111111 -0.4132 31 C -5.3328 -0.1649 -1.2945 C.2 1 UNL11111111 0.6853 32 H 5.1095 1.3730 0.3503 H 1 UNL11111111 0.1610 33 H 6.6194 1.7076 -1.4491 H 1 UNL11111111 0.1638 34 H 6.4778 0.7836 -2.9543 H 1 UNL11111111 0.1624 35 H 6.8783 -1.4167 -1.6421 H 1 UNL11111111 0.1612 36 H 7.0228 -0.4929 -0.1373 H 1 UNL11111111 0.1634 37 H 4.9590 -0.4154 1.8221 H 1 UNL11111111 0.1362 38 H 3.1879 2.3482 -0.5368 H 1 UNL11111111 0.1541 39 H 2.6347 0.8579 -1.3435 H 1 UNL11111111 0.1661 40 H 2.0974 -0.9253 1.7249 H 1 UNL11111111 0.1540 41 H 2.8880 0.3694 2.6508 H 1 UNL11111111 0.1613 42 H 3.8751 -1.5162 -1.9131 H 1 UNL11111111 0.2647 43 H 4.6574 -0.7759 -3.1539 H 1 UNL11111111 0.2610 44 H -0.9519 -3.1946 -0.7546 H 1 UNL11111111 0.1812 45 H -0.1185 -3.5404 1.7067 H 1 UNL11111111 0.1681 46 H -3.2495 -3.1058 1.4278 H 1 UNL11111111 0.1958 47 H -2.4075 -4.5723 0.8873 H 1 UNL11111111 0.1767 48 H -3.7419 -2.2755 -1.0530 H 1 UNL11111111 0.1885 49 H 0.4581 -1.7426 -1.4874 H 1 UNL11111111 0.1541 50 H 1.9303 -0.9678 -0.9681 H 1 UNL11111111 0.1748 51 H 1.1539 -2.1229 0.1132 H 1 UNL11111111 0.1466 52 H -2.9931 3.3431 0.7185 H 1 UNL11111111 0.3525 53 H -1.5268 4.1498 1.1552 H 1 UNL11111111 0.3106 54 H -6.6840 1.0314 -2.0513 H 1 UNL11111111 0.3414 @BOND 1 43 8 1 2 34 13 1 3 8 42 1 4 8 11 1 5 54 5 1 6 13 33 1 7 13 11 1 8 13 14 1 9 5 31 1 10 35 14 1 11 49 28 1 12 6 31 2 13 39 16 1 14 11 14 1 15 11 12 1 16 31 30 1 17 14 36 1 18 48 27 1 19 50 28 1 20 44 18 1 21 30 27 1 22 30 29 1 23 27 9 1 24 28 22 1 25 28 51 1 26 38 16 1 27 16 12 1 28 16 7 1 29 9 23 1 30 9 18 1 31 29 25 1 32 29 4 2 33 12 32 1 34 12 15 1 35 23 22 1 36 23 25 1 37 22 19 1 38 18 21 1 39 18 20 1 40 25 26 1 41 19 7 1 42 19 24 1 43 1 15 1 44 26 24 1 45 26 10 1 46 52 10 1 47 7 17 1 48 24 3 1 49 10 53 1 50 47 21 1 51 21 46 1 52 21 20 1 53 15 17 1 54 15 37 1 55 20 45 1 56 20 2 1 57 17 40 1 58 17 41 1