@MOLECULE 1-(4-amino-2-fluorophenyl)-6-fluoro-1,4-dihydro-7-(4-(2-(4-methoxyphenyl)-2-oxoethyl)-1-piperazinyl)-4-oxo-3-quinolinecarboxylic acid 66 70 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 F 1.3357 -4.1537 0.3893 F 1 UNL1 -0.1497 2 F 2.4977 2.6453 1.6296 F 1 UNL1 -0.1442 3 O -5.5612 -1.2810 -2.6572 O.2 1 UNL1 -0.4684 4 O 5.9412 -2.3258 0.7299 O.2 1 UNL1 -0.4388 5 O 7.8141 -0.5718 1.2961 O.3 1 UNL1 -0.4871 6 O 7.6898 1.3368 0.1595 O.2 1 UNL1 -0.5693 7 O -7.5961 2.2504 2.0900 O.3 1 UNL1 -0.3145 8 N -0.3641 -2.0965 -0.3396 N.pl3 1 UNL1 -0.4098 9 N -3.2059 -2.1318 -0.5470 N.3 1 UNL1 -0.4166 10 N 3.5570 0.8391 -0.2018 N.ar 1 UNL1 -0.2752 11 N 0.3416 5.1560 -1.7610 N.pl3 1 UNL1 -0.6074 12 C -1.2017 -2.5320 0.8019 C.3 1 UNL1 -0.0887 13 C -1.0675 -1.0589 -1.1275 C.3 1 UNL1 -0.1052 14 C -2.4880 -3.1743 0.2281 C.3 1 UNL1 -0.1220 15 C -2.3660 -1.6883 -1.6874 C.3 1 UNL1 -0.1219 16 C 0.9914 -1.8486 -0.0479 C.ar 1 UNL1 0.2062 17 C -4.5198 -2.6238 -1.0137 C.3 1 UNL1 -0.2295 18 C 1.5789 -0.5901 -0.1885 C.ar 1 UNL1 -0.3453 19 C 2.9646 -0.4260 -0.0206 C.ar 1 UNL1 0.2417 20 C 1.8437 -2.9349 0.2882 C.ar 1 UNL1 0.0562 21 C 3.7810 -1.5121 0.3247 C.ar 1 UNL1 -0.2360 22 C -5.3457 -1.4185 -1.4755 C.2 1 UNL1 0.4878 23 C 3.2027 -2.7777 0.4810 C.ar 1 UNL1 -0.0716 24 C 5.2446 -1.3633 0.5085 C.ar 1 UNL1 0.5157 25 C -5.8947 -0.4870 -0.4766 C.ar 1 UNL1 -0.2427 26 C 4.8954 1.0308 0.0054 C.ar 1 UNL1 0.2009 27 C 5.7311 0.0042 0.3634 C.ar 1 UNL1 -0.4186 28 C 2.7515 1.9485 -0.5942 C.ar 1 UNL1 -0.0937 29 C -7.0120 0.2817 -0.8400 C.ar 1 UNL1 -0.0096 30 C -5.3200 -0.3272 0.7842 C.ar 1 UNL1 -0.0071 31 C 2.2233 2.8403 0.3532 C.ar 1 UNL1 0.2843 32 C 2.4565 2.1573 -1.9507 C.ar 1 UNL1 -0.0116 33 C 7.1346 0.3360 0.5618 C.2 1 UNL1 0.6791 34 C -7.5627 1.1857 0.0520 C.ar 1 UNL1 -0.2910 35 C -5.8490 0.5844 1.6939 C.ar 1 UNL1 -0.3375 36 C 1.4270 3.9165 -0.0018 C.ar 1 UNL1 -0.3920 37 C 1.6621 3.2176 -2.3405 C.ar 1 UNL1 -0.3365 38 C 1.1380 4.1097 -1.3710 C.ar 1 UNL1 0.3395 39 C -6.9678 1.3302 1.3185 C.ar 1 UNL1 0.2927 40 C -7.0556 2.5049 3.3800 C.3 1 UNL1 -0.2034 41 H -1.4685 -1.6720 1.4580 H 1 UNL1 0.1371 42 H -0.6660 -3.2668 1.4338 H 1 UNL1 0.1509 43 H -0.4231 -0.7396 -1.9752 H 1 UNL1 0.1461 44 H -1.3152 -0.1586 -0.5233 H 1 UNL1 0.1364 45 H -2.2239 -4.0652 -0.3817 H 1 UNL1 0.1391 46 H -3.1343 -3.5155 1.0633 H 1 UNL1 0.1392 47 H -2.1133 -2.5167 -2.3844 H 1 UNL1 0.1381 48 H -2.9261 -0.9242 -2.2705 H 1 UNL1 0.1529 49 H -5.0490 -3.1314 -0.1778 H 1 UNL1 0.1603 50 H -4.4489 -3.3612 -1.8447 H 1 UNL1 0.1522 51 H 0.9613 0.2764 -0.4133 H 1 UNL1 0.1795 52 H 3.8487 -3.6284 0.7387 H 1 UNL1 0.2018 53 H 5.2761 2.0601 -0.1362 H 1 UNL1 0.1937 54 H -7.4420 0.1606 -1.8398 H 1 UNL1 0.1714 55 H -4.4332 -0.9089 1.0608 H 1 UNL1 0.1792 56 H 2.8611 1.4660 -2.6972 H 1 UNL1 0.1751 57 H 1.0324 4.5941 0.7499 H 1 UNL1 0.1869 58 H 1.4369 3.3724 -3.3921 H 1 UNL1 0.1720 59 H -8.4324 1.7840 -0.2063 H 1 UNL1 0.1763 60 H -5.3896 0.7021 2.6681 H 1 UNL1 0.1655 61 H 8.7720 -0.3321 1.3961 H 1 UNL1 0.3398 62 H 0.1407 5.3230 -2.7223 H 1 UNL1 0.3092 63 H -0.0201 5.8067 -1.0990 H 1 UNL1 0.3093 64 H -7.1098 1.6108 4.0086 H 1 UNL1 0.1368 65 H -6.0319 2.8844 3.3075 H 1 UNL1 0.1353 66 H -7.7287 3.2850 3.7627 H 1 UNL1 0.1567 @BOND 1 58 37 1 2 62 11 1 3 56 32 1 4 3 22 2 5 47 15 1 6 37 32 ar 7 37 38 ar 8 48 15 1 9 43 13 1 10 32 28 ar 11 50 17 1 12 54 29 1 13 11 38 1 14 11 63 1 15 15 13 1 16 15 9 1 17 22 17 1 18 22 25 1 19 38 36 ar 20 13 44 1 21 13 8 1 22 17 9 1 23 17 49 1 24 29 25 ar 25 29 34 ar 26 28 10 1 27 28 31 ar 28 9 14 1 29 25 30 ar 30 51 18 1 31 45 14 1 32 8 16 1 33 8 12 1 34 59 34 1 35 10 19 ar 36 10 26 ar 37 18 16 ar 38 18 19 ar 39 53 26 1 40 16 20 ar 41 19 21 ar 42 36 31 ar 43 36 57 1 44 26 27 ar 45 34 39 ar 46 6 33 2 47 14 12 1 48 14 46 1 49 20 1 1 50 20 23 ar 51 21 23 ar 52 21 24 ar 53 31 2 1 54 27 24 ar 55 27 33 1 56 23 52 1 57 24 4 2 58 33 5 1 59 30 55 1 60 30 35 ar 61 12 42 1 62 12 41 1 63 5 61 1 64 39 35 ar 65 39 7 1 66 35 60 1 67 7 40 1 68 65 40 1 69 40 66 1 70 40 64 1