Pyrimidine FTMW+cmw+mmw S-III.l Fri Feb 18 13:07:03 2011 12 378 3 0 0.0000E+000 3.0000E+000 1.0000E+000 1.0000000000 s 1 -1 0 , , , ,,,,,,,,,,,,,,, 10000 6.276828025147524E+003 1.00000000E+002 /A 20000 6.067165907039019E+003 1.00000000E+002 /B 30000 3.084449179044480E+003 1.00000000E+002 /C 200 -1.471996414968339E-003 1.00000000E+002 /-DJ 1100 2.452307295293763E-003 1.00000000E+002 /-DJK 2000 -1.104656367418060E-003 1.00000000E+002 /-DK 40100 -1.176253997471313E-005 1.00000000E+002 / d1 50000 2.192846434975997E-005 1.00000000E+002 / d2 300 6.464306458609538E-010 1.00000000E+002 /HJ 1200 -2.702529746672177E-009 1.00000000E+002 /HJK 2100 3.357191331600755E-009 1.00000000E+002 /HKJ 3000 -1.369707159649678E-009 1.00000000E+002 /HK ! !------------------------------------------------------------------------------- ! ! Refitted: ! ! RMS ERROR= 0.69766 0.69766 ! Pyrimidine FTMW+cmw+mmw S-III.l Fri Feb 18 13:07:03 2011 12 378 3 0 0.0000E+000 3.0000E+000 1.0000E+000 1.0000000000 s 1 -1 0 , , , ,,,,,,,,,,,,,,, 10000 6.276828025147524E+003 1.00000000E+002 /A 20000 6.067165907039019E+003 1.00000000E+002 /B 30000 3.084449179044480E+003 1.00000000E+002 /C 200 -1.471996414968339E-003 1.00000000E+002 /-DJ 1100 2.452307295293763E-003 1.00000000E+002 /-DJK 2000 -1.104656367418060E-003 1.00000000E+002 /-DK 40100 -1.176253997471313E-005 1.00000000E+002 / d1 50000 2.192846434975997E-005 1.00000000E+002 / d2 300 6.464306458609538E-010 1.00000000E+002 /HJ 1200 -2.702529746672177E-009 1.00000000E+002 /HJK 2100 3.357191331600755E-009 1.00000000E+002 /HKJ 3000 -1.369707159649678E-009 1.00000000E+002 /HK ! !------------------------------------------------------------------------------- ! ! Legacy ! Pyrimidine FTMW+cmw+mmw S-III.l 12 800 3 0 .1000E-11 .3000E+01 .1000E+01 1.0000000000 s 1 -1 0 , , , ,,,,,,,,,,,,,,, 10000 .627682802514748E+04 .99999997E+19 20000 .606716590703894E+04 .99999997E+19 30000 .308444917904446E+04 .99999997E+19 200 -.147199641479977E-02 .99999997E+19 1100 .245230729506135E-02 .99999997E+19 2000 -.110465636734816E-02 .99999997E+19 40100 -.117625399643000E-04 .99999997E+19 50000 .219284643455336E-04 .99999997E+19 300 .646430575681678E-09 .99999997E+19 1200 -.270252961761999E-08 .99999997E+19 2100 .335719123736091E-08 .99999997E+19 3000 -.136970713020550E-08 .99999997E+19 ! !------------------------------------------------------------------------------- !