@MOLECULE 1-ethyl-7-[(1S,3R)-3-(ethylaminomethyl)pyrrolidin-1-yl]-6,8-difluoro-4-oxo-quinolin-1-ium-3-ide-3-carboxylic acid 50 52 0 0 0 SMALL USER_CHARGES @ATOM 1 F 0.3582 -1.8306 -0.6755 F 1 UNL1111111 -0.1273 2 F 1.0196 2.7551 -0.1264 F 1 UNL1111111 -0.1443 3 O -3.7882 2.2131 0.7004 O.2 1 UNL1111111 -0.4216 4 O -6.2140 1.2621 0.5861 O.3 1 UNL1111111 -0.4824 5 O -6.4803 -0.9461 0.6553 O.2 1 UNL1111111 -0.5754 6 N 2.0879 0.1337 -0.8003 N.3 1 UNL1111111 -0.4086 7 N 5.9061 -0.2977 0.9696 N.3 1 UNL1111111 -0.5548 8 N -2.4276 -1.5775 0.0220 N.4 1 UNL1111111 -0.2947 9 C 4.2212 1.1387 -0.0985 C.3 1 UNL1111111 -0.1225 10 C 3.7742 1.7997 -1.4166 C.3 1 UNL1111111 -0.3127 11 C 3.0432 0.2326 0.3368 C.3 1 UNL1111111 -0.0986 12 C 2.6161 0.9288 -1.9381 C.3 1 UNL1111111 -0.0895 13 C 5.5014 0.3067 -0.3197 C.3 1 UNL1111111 -0.1297 14 C 0.7415 0.4372 -0.4347 C.3 1 UNL1111111 0.0904 15 C -0.1469 -0.6454 -0.3870 C.3 1 UNL1111111 0.0875 16 C 0.2123 1.7077 -0.1361 C.3 1 UNL1111111 0.0904 17 C -1.5190 -0.5054 -0.0689 C.3 1 UNL1111111 0.1253 18 C 7.0353 -1.2425 0.7983 C.3 1 UNL1111111 -0.0852 19 C -1.9914 0.8015 0.1687 C.3 1 UNL1111111 -0.1720 20 C -1.1287 1.8992 0.1466 C.3 1 UNL1111111 -0.1278 21 C -3.4302 1.0879 0.4478 C.2 1 UNL1111111 0.5064 22 C -2.0388 -2.9935 -0.1502 C.3 1 UNL1111111 -0.0591 23 C -3.7591 -1.3335 0.1948 C.3 1 UNL1111111 0.1859 24 C 7.5112 -1.7157 2.1753 C.3 1 UNL1111111 -0.4535 25 C -4.2860 -0.0811 0.3900 C.3 1 UNL1111111 -0.4278 26 C -1.9934 -3.3829 -1.6262 C.3 1 UNL1111111 -0.4650 27 C -5.7284 0.0025 0.5597 C.2 1 UNL1111111 0.6779 28 H 4.4122 1.9097 0.6781 H 1 UNL1111111 0.1395 29 H 4.5911 1.8633 -2.1514 H 1 UNL1111111 0.1444 30 H 3.4503 2.8397 -1.2431 H 1 UNL1111111 0.1505 31 H 3.3927 -0.8051 0.5513 H 1 UNL1111111 0.1763 32 H 2.5699 0.6065 1.2630 H 1 UNL1111111 0.1327 33 H 1.8362 1.5225 -2.4472 H 1 UNL1111111 0.1362 34 H 2.9867 0.1815 -2.6773 H 1 UNL1111111 0.1476 35 H 6.2965 0.9398 -0.7668 H 1 UNL1111111 0.1111 36 H 5.2907 -0.5127 -1.0435 H 1 UNL1111111 0.1508 37 H 6.1332 0.4213 1.6540 H 1 UNL1111111 0.2541 38 H 6.6601 -2.1090 0.2079 H 1 UNL1111111 0.1403 39 H 7.8825 -0.8027 0.2293 H 1 UNL1111111 0.1068 40 H -1.5326 2.9002 0.3584 H 1 UNL1111111 0.2123 41 H -1.0834 -3.2018 0.3782 H 1 UNL1111111 0.1657 42 H -2.7821 -3.6344 0.3873 H 1 UNL1111111 0.1495 43 H -4.4311 -2.2162 0.1889 H 1 UNL1111111 0.1926 44 H 7.9667 -0.9050 2.7525 H 1 UNL1111111 0.1421 45 H 6.6699 -2.1063 2.7643 H 1 UNL1111111 0.1623 46 H 8.2513 -2.5168 2.0816 H 1 UNL1111111 0.1448 47 H -2.9985 -3.5055 -2.0483 H 1 UNL1111111 0.1562 48 H -1.4833 -2.6343 -2.2475 H 1 UNL1111111 0.1720 49 H -1.4559 -4.3292 -1.7673 H 1 UNL1111111 0.1600 50 H -7.1994 1.2798 0.7122 H 1 UNL1111111 0.3408 @BOND 1 34 12 1 2 33 12 1 3 48 26 1 4 29 10 1 5 47 26 1 6 12 10 1 7 12 6 1 8 49 26 1 9 26 22 1 10 10 30 1 11 10 9 1 12 36 13 1 13 6 14 1 14 6 11 1 15 35 13 1 16 1 15 1 17 14 15 1 18 14 16 1 19 15 17 1 20 13 9 1 21 13 7 1 22 22 8 1 23 22 41 1 24 22 42 1 25 16 2 1 26 16 20 1 27 9 11 1 28 9 28 1 29 17 8 1 30 17 19 1 31 8 23 1 32 20 19 1 33 20 40 1 34 19 21 1 35 43 23 1 36 23 25 1 37 38 18 1 38 39 18 1 39 11 31 1 40 11 32 1 41 25 21 1 42 25 27 1 43 21 3 2 44 27 4 1 45 27 5 2 46 4 50 1 47 18 7 1 48 18 24 1 49 7 37 1 50 46 24 1 51 24 44 1 52 24 45 1