@MOLECULE 6-(difluoromethoxy)-4-oxo-7-(1-piperazinyl)-1,4-dihydro-3-quinolinecarboxylic acid 39 41 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 F -2.9380 -3.1991 0.7195 F 1 UNL1 -0.2098 2 F -1.6014 -3.5587 -0.8538 F 1 UNL1 -0.2083 3 O -1.9382 -1.4975 -0.1714 O.3 1 UNL1 -0.3601 4 O 3.1433 -1.7214 -0.0739 O.2 1 UNL1 -0.4409 5 O 5.6120 -0.9759 -0.3981 O.3 1 UNL1 -0.4789 6 O 6.1564 1.1055 0.1688 O.2 1 UNL1 -0.5702 7 N -2.5717 1.1340 0.0652 N.pl3 1 UNL1 -0.4038 8 N -5.3043 1.8991 -0.1571 N.3 1 UNL1 -0.5347 9 N 2.1535 2.2226 0.2379 N.ar 1 UNL1 -0.4145 10 C -3.6030 0.4611 0.8753 C.3 1 UNL1 -0.0737 11 C -2.9173 2.5434 -0.1929 C.3 1 UNL1 -0.0894 12 C -4.9364 0.4864 0.0915 C.3 1 UNL1 -0.1232 13 C -4.2634 2.5707 -0.9665 C.3 1 UNL1 -0.1186 14 C -1.2514 0.7456 0.1397 C.ar 1 UNL1 0.2730 15 C -0.2066 1.6789 0.2225 C.ar 1 UNL1 -0.4046 16 C -0.8797 -0.6365 0.0037 C.ar 1 UNL1 0.0575 17 C 1.1314 1.2593 0.1548 C.ar 1 UNL1 0.2574 18 C 1.4666 -0.0900 0.0159 C.ar 1 UNL1 -0.2542 19 C 0.4344 -1.0354 -0.0824 C.ar 1 UNL1 -0.0965 20 C 2.8728 -0.5443 -0.0261 C.ar 1 UNL1 0.5157 21 C 3.8545 0.5387 0.0282 C.ar 1 UNL1 -0.4053 22 C 3.4681 1.8458 0.1692 C.ar 1 UNL1 0.1871 23 C -1.7379 -2.8232 0.2565 C.3 1 UNL1 0.4409 24 C 5.2873 0.2846 -0.0427 C.2 1 UNL1 0.6722 25 H -3.7296 0.9940 1.8479 H 1 UNL1 0.1421 26 H -3.3210 -0.5837 1.1113 H 1 UNL1 0.1621 27 H -2.1365 3.0286 -0.8165 H 1 UNL1 0.1419 28 H -3.0150 3.1165 0.7561 H 1 UNL1 0.1432 29 H -4.8321 -0.1106 -0.8408 H 1 UNL1 0.1370 30 H -5.7371 0.0185 0.7038 H 1 UNL1 0.1463 31 H -4.5732 3.6256 -1.1251 H 1 UNL1 0.1411 32 H -4.1226 2.1033 -1.9657 H 1 UNL1 0.1312 33 H -6.2132 1.9614 -0.6144 H 1 UNL1 0.2588 34 H -0.4292 2.7307 0.3639 H 1 UNL1 0.1686 35 H 0.7197 -2.0812 -0.2501 H 1 UNL1 0.1953 36 H 1.9004 3.1957 0.3457 H 1 UNL1 0.3195 37 H 4.2141 2.6603 0.2342 H 1 UNL1 0.1897 38 H -0.9098 -2.9767 1.0042 H 1 UNL1 0.1653 39 H 6.5958 -1.1149 -0.4250 H 1 UNL1 0.3407 @BOND 1 32 13 1 2 31 13 1 3 13 11 1 4 13 8 1 5 2 23 1 6 29 12 1 7 27 11 1 8 33 8 1 9 39 5 1 10 5 24 1 11 35 19 1 12 11 7 1 13 11 28 1 14 3 16 1 15 3 23 1 16 8 12 1 17 19 16 ar 18 19 18 ar 19 4 20 2 20 24 21 1 21 24 6 2 22 20 18 ar 23 20 21 ar 24 16 14 ar 25 18 17 ar 26 21 22 ar 27 7 14 1 28 7 10 1 29 12 30 1 30 12 10 1 31 14 15 ar 32 17 15 ar 33 17 9 ar 34 22 37 1 35 22 9 ar 36 15 34 1 37 9 36 1 38 23 1 1 39 23 38 1 40 10 26 1 41 10 25 1