@MOLECULE 7-[(2s,3r)-3-amino-2-methyl-1-azetidinyl]-1-(2,4-difluorophenyl)-6-fluoro-4-oxo-1,4-dihydro-3-quinolinecarboxylic acid 45 48 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 F -1.9778 -3.8248 0.1718 F 1 UNL1 -0.1566 2 F 0.9941 2.0799 -2.0502 F 1 UNL1 -0.1268 3 F -0.7879 5.5916 0.4501 F 1 UNL1 -0.1522 4 O 2.9674 -3.2141 0.2693 O.2 1 UNL1 -0.4393 5 O 5.2094 -2.0918 -0.5909 O.3 1 UNL1 -0.4875 6 O 5.5378 -0.0614 0.2639 O.2 1 UNL1 -0.5609 7 N -3.1122 -1.2469 0.2758 N.pl3 1 UNL1 -0.4347 8 N -6.2310 -0.8119 0.5031 N.3 1 UNL1 -0.6403 9 N 1.3811 0.5289 0.2261 N.ar 1 UNL1 -0.3097 10 C -3.8482 -0.0304 -0.1926 C.3 1 UNL1 0.0304 11 C -5.1294 -0.9520 -0.4252 C.3 1 UNL1 0.0214 12 C -4.2097 -2.1821 -0.0999 C.3 1 UNL1 -0.0894 13 C -3.3593 0.6271 -1.4670 C.3 1 UNL1 -0.4874 14 C -1.7623 -1.4630 0.1727 C.ar 1 UNL1 0.2704 15 C -0.8808 -0.3702 0.2121 C.ar 1 UNL1 -0.3932 16 C -1.1818 -2.7649 0.1688 C.ar 1 UNL1 -0.0014 17 C 0.5041 -0.5754 0.2070 C.ar 1 UNL1 0.2765 18 C 1.0494 -1.8677 0.1812 C.ar 1 UNL1 -0.2759 19 C 0.1817 -2.9690 0.1742 C.ar 1 UNL1 -0.0333 20 C 2.5078 -2.1007 0.1737 C.ar 1 UNL1 0.5228 21 C 2.7407 0.3604 0.1311 C.ar 1 UNL1 0.1950 22 C 3.3113 -0.8807 0.0803 C.ar 1 UNL1 -0.4005 23 C 0.8468 1.8515 0.2825 C.ar 1 UNL1 0.0134 24 C 0.6508 2.6025 -0.8889 C.ar 1 UNL1 0.2138 25 C 0.4837 2.4028 1.5181 C.ar 1 UNL1 -0.0667 26 C 4.7628 -0.9424 -0.0403 C.2 1 UNL1 0.6763 27 C 0.1007 3.8804 -0.8608 C.ar 1 UNL1 -0.2912 28 C -0.0693 3.6764 1.5795 C.ar 1 UNL1 -0.2456 29 C -0.2515 4.3858 0.3902 C.ar 1 UNL1 0.2489 30 H -3.9460 0.6954 0.6377 H 1 UNL1 0.1445 31 H -5.5043 -0.9312 -1.4653 H 1 UNL1 0.1556 32 H -4.5304 -2.8026 0.7534 H 1 UNL1 0.1682 33 H -4.0149 -2.8264 -0.9690 H 1 UNL1 0.1500 34 H -4.1286 1.2866 -1.8892 H 1 UNL1 0.1619 35 H -3.0950 -0.1091 -2.2389 H 1 UNL1 0.1683 36 H -2.4651 1.2425 -1.3044 H 1 UNL1 0.1599 37 H -6.7996 -0.0012 0.3282 H 1 UNL1 0.2608 38 H -5.9464 -0.8322 1.4695 H 1 UNL1 0.2645 39 H -1.2879 0.6344 0.2626 H 1 UNL1 0.1765 40 H 0.6115 -3.9812 0.1714 H 1 UNL1 0.2016 41 H 3.3520 1.2811 0.1058 H 1 UNL1 0.1907 42 H 0.6311 1.8193 2.4333 H 1 UNL1 0.1874 43 H -0.0482 4.4578 -1.7750 H 1 UNL1 0.2031 44 H -0.3557 4.1096 2.5389 H 1 UNL1 0.1889 45 H 6.2001 -2.1276 -0.6398 H 1 UNL1 0.3417 @BOND 1 35 13 1 2 2 24 1 3 34 13 1 4 43 27 1 5 13 36 1 6 13 10 1 7 31 11 1 8 33 12 1 9 24 27 ar 10 24 23 ar 11 27 29 ar 12 45 5 1 13 5 26 1 14 11 10 1 15 11 12 1 16 11 8 1 17 10 7 1 18 10 30 1 19 12 7 1 20 12 32 1 21 26 22 1 22 26 6 2 23 22 21 ar 24 22 20 ar 25 41 21 1 26 21 9 ar 27 16 1 1 28 16 14 ar 29 16 19 ar 30 40 19 1 31 14 15 ar 32 14 7 1 33 20 18 ar 34 20 4 2 35 19 18 ar 36 18 17 ar 37 17 15 ar 38 17 9 ar 39 15 39 1 40 9 23 1 41 23 25 ar 42 37 8 1 43 29 3 1 44 29 28 ar 45 8 38 1 46 25 28 ar 47 25 42 1 48 28 44 1