@MOLECULE 7-[(1S,3S,5S)-3-amino-5-methyl-1-piperidyl]-1-cyclopropyl-8-methoxy-4-oxo-5,6-dihydro-2H-quinoline-2,3,4a,5,6,7,8,8a-octaide-3-carboxylic acid 52 55 0 0 0 SMALL USER_CHARGES @ATOM 1 O -0.8510 1.5402 -0.4424 O.3 1 UNL11111111 -0.3324 2 O 3.3460 -2.5776 0.6460 O.2 1 UNL11111111 -0.4408 3 O 5.5720 -1.8171 -0.5931 O.3 1 UNL11111111 -0.4921 4 O 6.0348 0.3434 -0.3215 O.2 1 UNL11111111 -0.5687 5 N 1.9184 1.1406 -0.1847 N.4 1 UNL11111111 -0.2977 6 N -2.6800 -0.4723 0.0889 N.3 1 UNL11111111 -0.4211 7 N -4.4718 1.9404 -0.5344 N.3 1 UNL11111111 -0.6408 8 C 1.4826 2.5261 -0.1508 C.3 1 UNL11111111 0.0226 9 C 2.2089 3.4980 0.7654 C.3 1 UNL11111111 -0.3351 10 C 0.8117 3.0540 1.1067 C.3 1 UNL11111111 -0.2974 11 C -4.9420 -1.1626 -0.5459 C.3 1 UNL11111111 -0.0864 12 C -4.5627 1.0515 0.6465 C.3 1 UNL11111111 0.0545 13 C -5.5397 -0.1128 0.4025 C.3 1 UNL11111111 -0.3185 14 C -3.5731 -1.6470 -0.0118 C.3 1 UNL11111111 -0.1179 15 C -3.1764 0.5033 1.0868 C.3 1 UNL11111111 -0.1493 16 C 1.0000 0.0940 0.0111 C.3 1 UNL11111111 0.1902 17 C -1.2962 -0.7442 0.2096 C.3 1 UNL11111111 0.1919 18 C -0.3925 0.2926 -0.0883 C.3 1 UNL11111111 0.0119 19 C 3.2571 0.8796 -0.2768 C.3 1 UNL11111111 0.1857 20 C 1.4838 -1.1975 0.2824 C.3 1 UNL11111111 -0.2478 21 C -5.8839 -2.3588 -0.6882 C.3 1 UNL11111111 -0.4608 22 C -0.7830 -2.0183 0.5222 C.3 1 UNL11111111 -0.2912 23 C 3.7769 -0.3788 -0.1162 C.3 1 UNL11111111 -0.4235 24 C 0.5834 -2.2370 0.5322 C.3 1 UNL11111111 -0.0084 25 C 2.9359 -1.4958 0.2956 C.2 1 UNL11111111 0.5163 26 C 5.2070 -0.5429 -0.3268 C.2 1 UNL11111111 0.6838 27 C -1.2482 1.5791 -1.8171 C.3 1 UNL11111111 -0.2096 28 H 1.1239 2.8626 -1.1356 H 1 UNL11111111 0.1772 29 H 2.3938 4.5125 0.4207 H 1 UNL11111111 0.1660 30 H 3.0413 3.1618 1.3820 H 1 UNL11111111 0.1756 31 H 0.6454 2.3866 1.9506 H 1 UNL11111111 0.1730 32 H -0.0291 3.7367 1.0095 H 1 UNL11111111 0.1677 33 H -4.7834 -0.7014 -1.5508 H 1 UNL11111111 0.1412 34 H -4.9582 1.6960 1.4792 H 1 UNL11111111 0.1444 35 H -6.4877 0.2816 -0.0135 H 1 UNL11111111 0.1571 36 H -5.8077 -0.5793 1.3683 H 1 UNL11111111 0.1456 37 H -3.7023 -2.1694 0.9595 H 1 UNL11111111 0.1280 38 H -3.1334 -2.3736 -0.7304 H 1 UNL11111111 0.1489 39 H -2.4529 1.3455 1.1729 H 1 UNL11111111 0.1636 40 H -3.2586 0.0479 2.0972 H 1 UNL11111111 0.1302 41 H 3.9144 1.7423 -0.4995 H 1 UNL11111111 0.1936 42 H -5.4855 -3.1030 -1.3878 H 1 UNL11111111 0.1496 43 H -6.0532 -2.8624 0.2701 H 1 UNL11111111 0.1481 44 H -6.8635 -2.0474 -1.0704 H 1 UNL11111111 0.1509 45 H -1.4569 -2.8362 0.7646 H 1 UNL11111111 0.1697 46 H 0.9851 -3.2354 0.7514 H 1 UNL11111111 0.1856 47 H -4.6266 1.4343 -1.3933 H 1 UNL11111111 0.2456 48 H -3.5513 2.3567 -0.5939 H 1 UNL11111111 0.2538 49 H -2.0867 0.8950 -1.9933 H 1 UNL11111111 0.1494 50 H -0.4061 1.3245 -2.4676 H 1 UNL11111111 0.1351 51 H -1.5526 2.6220 -1.9527 H 1 UNL11111111 0.1419 52 H 6.5526 -1.9110 -0.7082 H 1 UNL11111111 0.3405 @BOND 1 50 27 1 2 49 27 1 3 51 27 1 4 27 1 1 5 33 11 1 6 47 7 1 7 42 21 1 8 28 8 1 9 44 21 1 10 38 14 1 11 52 3 1 12 21 11 1 13 21 43 1 14 48 7 1 15 3 26 1 16 11 14 1 17 11 13 1 18 7 12 1 19 41 19 1 20 1 18 1 21 26 4 2 22 26 23 1 23 19 5 1 24 19 23 1 25 5 8 1 26 5 16 1 27 8 9 1 28 8 10 1 29 23 25 1 30 18 16 1 31 18 17 1 32 35 13 1 33 14 6 1 34 14 37 1 35 16 20 1 36 6 17 1 37 6 15 1 38 17 22 1 39 20 25 1 40 20 24 1 41 25 2 2 42 13 12 1 43 13 36 1 44 29 9 1 45 22 24 1 46 22 45 1 47 24 46 1 48 12 15 1 49 12 34 1 50 9 10 1 51 9 30 1 52 32 10 1 53 15 39 1 54 15 40 1 55 10 31 1