@MOLECULE 1-ethyl-6-fluoro-4-oxo-7-(3-oxo-1-piperazinyl)-1,4-dihydro-3-quinolinecarboxylic acid 40 42 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 F 1.5895 -2.9168 -0.1432 F 1 UNL1 -0.1508 2 O 5.4998 1.4666 -1.4500 O.2 1 UNL1 -0.5044 3 O -3.2910 -2.1976 -0.0024 O.2 1 UNL1 -0.4311 4 O -5.6279 -1.0784 -0.1261 O.3 1 UNL1 -0.4749 5 O -5.7674 1.1387 0.0123 O.2 1 UNL1 -0.5760 6 N 2.8423 -0.4261 -0.1589 N.pl3 1 UNL1 -0.4028 7 N -1.6455 1.5359 -0.1593 N.ar 1 UNL1 -0.3270 8 N 5.5775 0.2502 0.4493 N.am 1 UNL1 -0.5925 9 C 3.6627 -1.2807 0.7218 C.3 1 UNL1 -0.1033 10 C 1.4524 -0.5433 -0.0703 C.ar 1 UNL1 0.2370 11 C 3.3813 0.9134 -0.4403 C.3 1 UNL1 -0.1753 12 C -0.7945 0.4162 -0.1062 C.ar 1 UNL1 0.2596 13 C 4.7949 -0.4967 1.4300 C.3 1 UNL1 -0.0959 14 C 0.6038 0.5709 -0.0816 C.ar 1 UNL1 -0.3815 15 C -1.3663 -0.8653 -0.0796 C.ar 1 UNL1 -0.2618 16 C 0.8375 -1.8271 -0.0864 C.ar 1 UNL1 0.0246 17 C 4.9026 0.8951 -0.5663 C.2 1 UNL1 0.5767 18 C -0.5323 -1.9899 -0.0801 C.ar 1 UNL1 -0.0501 19 C -1.1051 2.9088 -0.1504 C.3 1 UNL1 -0.0606 20 C -2.8320 -1.0810 -0.0522 C.ar 1 UNL1 0.5133 21 C -3.0033 1.3773 -0.1110 C.ar 1 UNL1 0.1855 22 C -3.6127 0.1496 -0.0751 C.ar 1 UNL1 -0.4144 23 C -0.7795 3.3632 1.2719 C.3 1 UNL1 -0.4707 24 C -5.0686 0.1472 -0.0544 C.2 1 UNL1 0.6750 25 H 4.1096 -2.0741 0.0708 H 1 UNL1 0.1722 26 H 3.0466 -1.7869 1.4973 H 1 UNL1 0.1558 27 H 3.1056 1.6682 0.3332 H 1 UNL1 0.1509 28 H 2.9554 1.2569 -1.4194 H 1 UNL1 0.1891 29 H 4.3677 0.2094 2.1810 H 1 UNL1 0.1485 30 H 5.4479 -1.2028 1.9886 H 1 UNL1 0.1534 31 H 1.0282 1.5689 -0.0563 H 1 UNL1 0.1728 32 H 6.5763 0.1306 0.4141 H 1 UNL1 0.3261 33 H -0.9917 -2.9900 -0.0874 H 1 UNL1 0.2054 34 H -0.2041 2.9569 -0.8058 H 1 UNL1 0.1568 35 H -1.8491 3.5974 -0.6177 H 1 UNL1 0.1542 36 H -3.6116 2.3032 -0.1172 H 1 UNL1 0.1914 37 H -1.6779 3.4069 1.9023 H 1 UNL1 0.1647 38 H -0.0759 2.6841 1.7709 H 1 UNL1 0.1617 39 H -0.3299 4.3635 1.2747 H 1 UNL1 0.1587 40 H -6.6208 -1.0372 -0.1033 H 1 UNL1 0.3396 @BOND 1 2 17 2 2 28 11 1 3 34 19 1 4 35 19 1 5 17 11 1 6 17 8 am 7 11 6 1 8 11 27 1 9 7 19 1 10 7 21 ar 11 7 12 ar 12 6 10 1 13 6 9 1 14 19 23 1 15 1 16 1 16 4 40 1 17 4 24 1 18 36 21 1 19 21 22 ar 20 12 14 ar 21 12 15 ar 22 33 18 1 23 16 18 ar 24 16 10 ar 25 14 10 ar 26 14 31 1 27 18 15 ar 28 15 20 ar 29 22 24 1 30 22 20 ar 31 24 5 2 32 20 3 2 33 25 9 1 34 32 8 1 35 8 13 1 36 9 13 1 37 9 26 1 38 23 39 1 39 23 38 1 40 23 37 1 41 13 30 1 42 13 29 1