@MOLECULE methyl 1-cyclohexyl-7-fluoro-3-[[4-(2-hydroxyethylsulfonyl)cyclohexyl]methyl]-4-oxo-6,8-dihydro-5H-quinoline-2,3,4a,5,6,7,8,8a-octaide-2-carboxylate 57 60 0 0 0 SMALL USER_CHARGES @ATOM 1 C 3.3067 4.0693 -0.2959 C.3 1 UNL11111111 -0.3051 2 C 4.0148 3.2780 0.6218 C.3 1 UNL11111111 0.3009 3 C 3.8313 1.9134 0.7605 C.3 1 UNL11111111 -0.3543 4 C 2.8777 1.2918 -0.0749 C.3 1 UNL11111111 0.2901 5 C 2.1490 2.0595 -1.0058 C.3 1 UNL11111111 -0.2790 6 C 2.3749 3.4419 -1.1026 C.3 1 UNL11111111 0.0250 7 C 1.1504 1.4417 -1.8839 C.2 1 UNL11111111 0.4916 8 O 0.5275 2.0819 -2.7050 O.2 1 UNL11111111 -0.4795 9 N 2.6429 -0.0786 0.0189 N.4 1 UNL11111111 -0.3256 10 C 3.4195 -0.8972 0.9107 C.3 1 UNL11111111 0.1063 11 C 4.7333 -1.2268 0.5640 C.3 1 UNL11111111 -0.1549 12 C 5.4724 -2.0319 1.4257 C.3 1 UNL11111111 -0.1391 13 C 4.9044 -2.4975 2.6114 C.3 1 UNL11111111 -0.1333 14 C 3.5939 -2.1594 2.9460 C.3 1 UNL11111111 -0.1345 15 C 2.8394 -1.3536 2.0974 C.3 1 UNL11111111 -0.1420 16 C 0.9532 -0.0056 -1.7036 C.3 1 UNL11111111 -0.1870 17 C -0.0825 -0.6584 -2.5558 C.3 1 UNL11111111 -0.2863 18 C -1.4256 -0.5456 -1.8916 C.3 1 UNL11111111 0.0654 19 C -1.9186 -1.5919 -1.1101 C.3 1 UNL11111111 -0.2034 20 C -3.1581 -1.4704 -0.4858 C.3 1 UNL11111111 -0.0610 21 C -3.9032 -0.3033 -0.6375 C.3 1 UNL11111111 -0.4085 22 C -3.4207 0.7363 -1.4313 C.3 1 UNL11111111 -0.0695 23 C -2.1813 0.6184 -2.0530 C.3 1 UNL11111111 -0.1868 24 S -5.4643 -0.1484 0.1586 S.O2 1 UNL11111111 2.2091 25 F 4.9070 3.8715 1.3970 F 1 UNL11111111 -0.1668 26 C 1.6843 -0.6823 -0.7833 C.3 1 UNL11111111 0.1132 27 C 1.4716 -2.1498 -0.5540 C.2 1 UNL11111111 0.5714 28 C -5.0720 0.6137 1.7374 C.3 1 UNL11111111 -0.6107 29 C -6.3328 1.0080 2.5024 C.3 1 UNL11111111 0.0353 30 O -5.8384 1.6160 3.6918 O.3 1 UNL11111111 -0.5647 31 O 0.7954 -2.6515 0.3022 O.2 1 UNL11111111 -0.4569 32 O 2.1595 -2.8453 -1.4857 O.3 1 UNL11111111 -0.3644 33 C 2.0664 -4.2663 -1.3885 C.3 1 UNL11111111 -0.1785 34 O -6.2692 0.8010 -0.5835 O.2 1 UNL11111111 -0.9133 35 O -5.9676 -1.4782 0.4376 O.2 1 UNL11111111 -0.9136 36 H 3.4857 5.1396 -0.3670 H 1 UNL11111111 0.1836 37 H 4.3967 1.3382 1.4913 H 1 UNL11111111 0.1944 38 H 1.7923 4.0150 -1.8356 H 1 UNL11111111 0.1811 39 H 5.1672 -0.8610 -0.3669 H 1 UNL11111111 0.1741 40 H 6.4978 -2.2986 1.1709 H 1 UNL11111111 0.1598 41 H 5.4890 -3.1283 3.2806 H 1 UNL11111111 0.1566 42 H 3.1542 -2.5272 3.8733 H 1 UNL11111111 0.1627 43 H 1.8078 -1.0943 2.3452 H 1 UNL11111111 0.1833 44 H -0.1077 -0.1625 -3.5595 H 1 UNL11111111 0.1910 45 H 0.1730 -1.7162 -2.7788 H 1 UNL11111111 0.1611 46 H -1.3361 -2.5012 -0.9759 H 1 UNL11111111 0.1586 47 H -3.5355 -2.3070 0.1128 H 1 UNL11111111 0.1689 48 H -4.0093 1.6474 -1.5854 H 1 UNL11111111 0.1693 49 H -1.7908 1.4366 -2.6629 H 1 UNL11111111 0.1791 50 H -4.4637 -0.0687 2.3655 H 1 UNL11111111 0.1885 51 H -4.4375 1.5132 1.6017 H 1 UNL11111111 0.1879 52 H -6.9484 1.7484 1.9547 H 1 UNL11111111 0.1297 53 H -6.9499 0.1346 2.7886 H 1 UNL11111111 0.1250 54 H -6.5750 1.9421 4.2392 H 1 UNL11111111 0.3123 55 H 2.4484 -4.6073 -0.4207 H 1 UNL11111111 0.1421 56 H 1.0291 -4.5886 -1.5285 H 1 UNL11111111 0.1469 57 H 2.7085 -4.6050 -2.2108 H 1 UNL11111111 0.1544 @BOND 1 44 17 1 2 8 7 2 3 49 23 1 4 45 17 1 5 17 18 1 6 17 16 1 7 23 18 1 8 23 22 1 9 38 6 1 10 7 16 1 11 7 5 1 12 57 33 1 13 18 19 1 14 16 26 1 15 48 22 1 16 22 21 1 17 32 33 1 18 32 27 1 19 6 5 1 20 6 1 1 21 56 33 1 22 33 55 1 23 5 4 1 24 19 46 1 25 19 20 1 26 26 27 1 27 26 9 1 28 36 1 1 29 34 24 2 30 21 20 1 31 21 24 1 32 1 2 1 33 27 31 2 34 20 47 1 35 39 11 1 36 4 9 1 37 4 3 1 38 9 10 1 39 24 35 2 40 24 28 1 41 2 3 1 42 2 25 1 43 11 10 1 44 11 12 1 45 3 37 1 46 10 15 1 47 40 12 1 48 51 28 1 49 12 13 1 50 28 50 1 51 28 29 1 52 52 29 1 53 15 43 1 54 15 14 1 55 29 53 1 56 29 30 1 57 13 14 1 58 13 41 1 59 14 42 1 60 30 54 1