@MOLECULE 6-fluoro-4-oxo-7-piperazin-1-yl-1,2,5,8-tetrahydroquinoline-2,3,4a,5,6,7,8,8a-octaide-3-carboxylic acid 35 37 0 0 0 SMALL USER_CHARGES @ATOM 1 F -1.8649 -2.4038 -0.2735 F 1 UNL11111111 -0.1433 2 O 3.0853 -1.8898 0.0677 O.2 1 UNL11111111 -0.4285 3 O 5.3913 -0.7695 -0.5065 O.3 1 UNL11111111 -0.4847 4 O 5.6719 1.2868 0.3005 O.2 1 UNL11111111 -0.5638 5 N -3.0072 0.0940 -0.1225 N.3 1 UNL11111111 -0.4092 6 N -5.7638 0.7701 0.1551 N.3 1 UNL11111111 -0.5364 7 N 1.5356 1.8769 0.1993 N.4 1 UNL11111111 -0.4134 8 C -3.7968 -0.4281 1.0198 C.3 1 UNL11111111 -0.0887 9 C -3.4891 1.4357 -0.5199 C.3 1 UNL11111111 -0.1058 10 C -5.2695 -0.5644 0.5656 C.3 1 UNL11111111 -0.1181 11 C -4.9632 1.2895 -0.9768 C.3 1 UNL11111111 -0.1145 12 C -1.6126 -0.0624 -0.0090 C.3 1 UNL11111111 0.2172 13 C -0.7240 1.0103 0.0999 C.3 1 UNL11111111 -0.3606 14 C 0.6625 0.7783 0.1010 C.3 1 UNL11111111 0.2338 15 C -1.0561 -1.3674 -0.1174 C.3 1 UNL11111111 0.0566 16 C 1.1855 -0.5169 0.0134 C.3 1 UNL11111111 -0.2340 17 C 0.3051 -1.6005 -0.0995 C.3 1 UNL11111111 -0.0692 18 C 2.6463 -0.7651 0.0390 C.2 1 UNL11111111 0.5112 19 C 3.4600 0.4496 0.0597 C.3 1 UNL11111111 -0.4026 20 C 2.8919 1.6906 0.1669 C.3 1 UNL11111111 0.1872 21 C 4.9147 0.3910 -0.0084 C.2 1 UNL11111111 0.6739 22 H -3.7370 0.2588 1.8948 H 1 UNL11111111 0.1385 23 H -3.4122 -1.4138 1.3481 H 1 UNL11111111 0.1514 24 H -2.8766 1.8112 -1.3669 H 1 UNL11111111 0.1420 25 H -3.4292 2.1724 0.3107 H 1 UNL11111111 0.1358 26 H -5.3401 -1.3225 -0.2446 H 1 UNL11111111 0.1327 27 H -5.8882 -0.9182 1.4182 H 1 UNL11111111 0.1426 28 H -5.3630 2.2860 -1.2595 H 1 UNL11111111 0.1390 29 H -5.0079 0.6365 -1.8756 H 1 UNL11111111 0.1310 30 H -6.7524 0.7312 -0.0886 H 1 UNL11111111 0.2571 31 H -1.1009 2.0232 0.2001 H 1 UNL11111111 0.1694 32 H 0.7178 -2.6154 -0.1824 H 1 UNL11111111 0.2028 33 H 1.1439 2.8050 0.2871 H 1 UNL11111111 0.3199 34 H 3.5119 2.6043 0.2291 H 1 UNL11111111 0.1883 35 H 6.3842 -0.7919 -0.5251 H 1 UNL11111111 0.3424 @BOND 1 29 11 1 2 24 9 1 3 28 11 1 4 11 9 1 5 11 6 1 6 35 3 1 7 9 5 1 8 9 25 1 9 3 21 1 10 1 15 1 11 26 10 1 12 32 17 1 13 5 12 1 14 5 8 1 15 15 17 1 16 15 12 1 17 17 16 1 18 30 6 1 19 12 13 1 20 21 19 1 21 21 4 2 22 16 18 1 23 16 14 1 24 18 19 1 25 18 2 2 26 19 20 1 27 13 14 1 28 13 31 1 29 14 7 1 30 6 10 1 31 20 7 1 32 20 34 1 33 7 33 1 34 10 8 1 35 10 27 1 36 8 23 1 37 8 22 1