@MOLECULE 3-fluoro-1-propanesulfonate 8 8 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 S 1.4948 0.0007 0.1456 S.3 1 UNL1 2.2783 2 F -3.9314 0.0005 0.2886 F 1 UNL1 -0.0324 3 O 2.1229 -1.2372 0.4549 O.3 1 UNL1 -0.7814 4 O 2.1173 1.2443 0.4425 O.3 1 UNL1 -0.7816 5 O 0.6328 -0.0081 -1.3789 O.3 1 UNL1 -0.5164 6 C -0.1272 -0.0027 -0.2489 C.3 1 UNL1 -0.1682 7 C -1.4636 -0.0002 -0.0570 C.1 1 UNL1 -0.0968 8 C -2.6717 0.0016 0.1023 C.1 1 UNL1 0.0985 @BOND 1 5 6 1 2 5 1 1 3 6 7 1 4 6 1 1 5 7 8 3 6 8 2 1 7 1 4 1 8 1 3 1