@MOLECULE 7-fluoro-1-methyl-3-methylsulfonyl-4-quinolone 27 28 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 S -3.0190 -0.0041 0.1225 S.O2 1 UNL1 2.3001 2 F 5.0577 0.0557 0.0826 F 1 UNL1 -0.1597 3 O -0.8196 2.1418 -0.1976 O.2 1 UNL1 -0.5157 4 O -3.5059 -1.2954 -0.3540 O.2 1 UNL1 -0.9733 5 O -3.3485 0.4081 1.4688 O.2 1 UNL1 -0.8973 6 N 0.6074 -1.6584 -0.0835 N.ar 1 UNL1 -0.3130 7 C -1.2678 -0.1628 -0.0251 C.ar 1 UNL1 -0.6695 8 C 1.5236 -0.5995 -0.0382 C.ar 1 UNL1 0.2559 9 C 1.0367 0.7225 -0.0306 C.ar 1 UNL1 -0.2634 10 C -0.4128 1.0019 -0.0821 C.ar 1 UNL1 0.5336 11 C -0.7453 -1.4223 -0.0508 C.ar 1 UNL1 0.2098 12 C 2.9123 -0.8339 -0.0002 C.ar 1 UNL1 -0.3599 13 C 1.9289 1.8018 0.0222 C.ar 1 UNL1 0.0104 14 C 1.0899 -3.0426 -0.1244 C.3 1 UNL1 -0.2510 15 C -3.5488 1.2423 -1.0155 C.3 1 UNL1 -0.7457 16 C 3.7528 0.2688 0.0480 C.ar 1 UNL1 0.2881 17 C 3.2974 1.5928 0.0629 C.ar 1 UNL1 -0.2950 18 H -1.3926 -2.3270 -0.0566 H 1 UNL1 0.2027 19 H 3.3224 -1.8396 -0.0032 H 1 UNL1 0.1861 20 H 1.5177 2.8210 0.0296 H 1 UNL1 0.1885 21 H 1.6346 -3.2962 0.8053 H 1 UNL1 0.1641 22 H 1.7664 -3.1994 -0.9857 H 1 UNL1 0.1626 23 H 0.2528 -3.7572 -0.2291 H 1 UNL1 0.1681 24 H -2.9478 2.1646 -0.9313 H 1 UNL1 0.2120 25 H -3.4916 0.9056 -2.0567 H 1 UNL1 0.1824 26 H -4.5903 1.5358 -0.8280 H 1 UNL1 0.1877 27 H 3.9950 2.4280 0.1051 H 1 UNL1 0.1912 @BOND 1 25 15 1 2 15 24 1 3 15 26 1 4 15 1 1 5 22 14 1 6 4 1 2 7 23 14 1 8 3 10 2 9 14 6 1 10 14 21 1 11 6 11 ar 12 6 8 ar 13 10 9 ar 14 10 7 ar 15 18 11 1 16 11 7 ar 17 8 9 ar 18 8 12 ar 19 9 13 ar 20 7 1 1 21 19 12 1 22 12 16 ar 23 13 20 1 24 13 17 ar 25 16 17 ar 26 16 2 1 27 17 27 1 28 1 5 2