@MOLECULE 7-[(4aR,6R,7aS)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]-8-chloro-1-cyclopropyl-6-fluoro-4-oxo-2,5-dihydroquinoline-2,3,4a,5,6,7,8,8a-octaide-3-carboxylic acid 49 53 0 0 0 SMALL USER_CHARGES @ATOM 1 CL 0.2016 2.3528 0.7702 Cl 1 UNL1111111111 -0.0156 2 F 1.6905 -2.1966 -0.6523 F 1 UNL1111111111 -0.1476 3 O -3.2292 -2.7368 -0.6616 O.2 1 UNL1111111111 -0.4180 4 O -5.5142 -2.4788 0.7340 O.3 1 UNL1111111111 -0.4947 5 O -6.4583 -0.4925 0.3701 O.2 1 UNL1111111111 -0.5565 6 N 2.2386 0.5783 -0.0018 N.3 1 UNL1111111111 -0.4250 7 N 5.3913 -0.6251 1.5731 N.3 1 UNL1111111111 -0.5292 8 N -2.5936 1.1805 0.2087 N.4 1 UNL1111111111 -0.3046 9 C 4.3683 -0.3312 -0.6888 C.3 1 UNL1111111111 -0.1990 10 C 4.4639 0.1873 0.7789 C.3 1 UNL1111111111 0.0246 11 C 3.1177 0.3956 -1.1989 C.3 1 UNL1111111111 -0.1079 12 C 2.9883 0.1873 1.2333 C.3 1 UNL1111111111 -0.1223 13 C 5.7104 -0.0763 -1.3612 C.3 1 UNL1111111111 -0.2687 14 C -2.5190 2.6219 0.0300 C.3 1 UNL1111111111 0.0040 15 C 6.7768 -0.8572 -0.5670 C.3 1 UNL1111111111 -0.3138 16 C -1.8899 3.1864 -1.2325 C.3 1 UNL1111111111 -0.3007 17 C -3.3809 3.2566 -1.0544 C.3 1 UNL1111111111 -0.3322 18 C 6.7359 -0.5401 0.9483 C.3 1 UNL1111111111 -0.1056 19 C 0.9512 -0.0292 -0.0894 C.3 1 UNL1111111111 0.1371 20 C -1.4710 0.3461 0.0404 C.3 1 UNL1111111111 0.1702 21 C -0.1442 0.7964 0.1820 C.3 1 UNL1111111111 -0.0859 22 C -1.6831 -1.0189 -0.2389 C.3 1 UNL1111111111 -0.1920 23 C 0.6822 -1.3725 -0.4189 C.3 1 UNL1111111111 0.0747 24 C -3.8485 0.6392 0.3173 C.3 1 UNL1111111111 0.1896 25 C -0.6073 -1.8751 -0.4750 C.3 1 UNL1111111111 -0.0984 26 C -4.0951 -0.6988 0.1725 C.3 1 UNL1111111111 -0.4175 27 C -3.0506 -1.6093 -0.2695 C.2 1 UNL1111111111 0.5091 28 C -5.4539 -1.1687 0.4073 C.2 1 UNL1111111111 0.6816 29 H 4.1792 -1.4302 -0.6923 H 1 UNL1111111111 0.1511 30 H 4.8429 1.2430 0.7932 H 1 UNL1111111111 0.1569 31 H 3.3554 1.4217 -1.5590 H 1 UNL1111111111 0.1544 32 H 2.6184 -0.1296 -2.0305 H 1 UNL1111111111 0.1425 33 H 2.6795 -0.7865 1.6543 H 1 UNL1111111111 0.1386 34 H 2.7899 0.9631 2.0019 H 1 UNL1111111111 0.1640 35 H 5.9512 1.0018 -1.3820 H 1 UNL1111111111 0.1430 36 H 5.6983 -0.4060 -2.4153 H 1 UNL1111111111 0.1417 37 H -2.3937 3.1447 0.9924 H 1 UNL1111111111 0.1839 38 H 6.6317 -1.9420 -0.7234 H 1 UNL1111111111 0.1422 39 H 7.7827 -0.6263 -0.9606 H 1 UNL1111111111 0.1433 40 H 5.0784 -1.5922 1.6421 H 1 UNL1111111111 0.2544 41 H -1.4625 2.5133 -1.9754 H 1 UNL1111111111 0.1767 42 H -1.2828 4.0884 -1.1683 H 1 UNL1111111111 0.1729 43 H -3.8665 4.2094 -0.8549 H 1 UNL1111111111 0.1689 44 H -4.0268 2.6404 -1.6789 H 1 UNL1111111111 0.1767 45 H 7.4124 -1.2275 1.4987 H 1 UNL1111111111 0.1388 46 H 7.1195 0.4893 1.1254 H 1 UNL1111111111 0.1441 47 H -4.6696 1.3488 0.5385 H 1 UNL1111111111 0.1942 48 H -0.8028 -2.9343 -0.6994 H 1 UNL1111111111 0.2115 49 H -6.4460 -2.7956 0.8614 H 1 UNL1111111111 0.3440 @BOND 1 36 13 1 2 32 11 1 3 41 16 1 4 44 17 1 5 31 11 1 6 35 13 1 7 13 9 1 8 13 15 1 9 16 42 1 10 16 17 1 11 16 14 1 12 11 9 1 13 11 6 1 14 17 43 1 15 17 14 1 16 39 15 1 17 38 15 1 18 48 25 1 19 29 9 1 20 9 10 1 21 3 27 2 22 2 23 1 23 15 18 1 24 25 23 1 25 25 22 1 26 23 19 1 27 27 22 1 28 27 26 1 29 22 20 1 30 19 6 1 31 19 21 1 32 6 12 1 33 14 8 1 34 14 37 1 35 20 21 1 36 20 8 1 37 26 24 1 38 26 28 1 39 21 1 1 40 8 24 1 41 24 47 1 42 5 28 2 43 28 4 1 44 4 49 1 45 10 30 1 46 10 12 1 47 10 7 1 48 18 46 1 49 18 45 1 50 18 7 1 51 12 33 1 52 12 34 1 53 7 40 1