Pyrimidine FTMW+cmw+mmw A-I.r Fri Feb 18 13:16:47 2011 15 378 3 0 0.0000E+000 3.0000E+000 1.0000E+000 1.0000000000 a 1 1 0 , , , ,,,,,,,,,,,,,,, 10000 6.276827006788712E+003 1.00000000E+002 /A 20000 6.067167164281658E+003 1.00000000E+002 /B 30000 3.084448974726221E+003 1.00000000E+002 /C 200 -7.880465025550167E-004 1.00000000E+002 /-DJ 1100 2.689055269475786E-004 1.00000000E+002 /-DJK 2000 -8.853957908281321E-004 1.00000000E+002 /-DK 40100 -3.318461857203376E-004 1.00000000E+002 /-deltaJ 41000 -6.554333587632593E-004 1.00000000E+002 /-deltaK 300 3.008562701919916E-010 1.00000000E+002 /HJ 1200 0.000000000000000E+000 1.00000000E-037 /HJK 2100 -2.227397933722903E-009 1.00000000E+002 /HKJ 3000 2.555528197183453E-009 1.00000000E+002 /HK 40200 1.833954250439659E-010 1.00000000E+002 /hj 41100 2.838078067568169E-010 1.00000000E+002 /hjk 42000 1.142240642419415E-009 1.00000000E+002 /hk ! !------------------------------------------------------------------------------- ! Refitted ! ! RMS ERROR= 0.69735 0.69735 ! Pyrimidine FTMW+cmw+mmw A-I.r Fri Feb 18 13:16:47 2011 15 378 3 0 0.0000E+000 3.0000E+000 1.0000E+000 1.0000000000 a 1 1 0 , , , ,,,,,,,,,,,,,,, 10000 6.276827006788712E+003 1.00000000E+002 /A 20000 6.067167164281658E+003 1.00000000E+002 /B 30000 3.084448974726221E+003 1.00000000E+002 /C 200 -7.880465025550167E-004 1.00000000E+002 /-DJ 1100 2.689055269475786E-004 1.00000000E+002 /-DJK 2000 -8.853957908281321E-004 1.00000000E+002 /-DK 40100 -3.318461857203376E-004 1.00000000E+002 /-deltaJ 41000 -6.554333587632593E-004 1.00000000E+002 /-deltaK 300 3.008562701919916E-010 1.00000000E+002 /HJ 1200 0.000000000000000E+000 1.00000000E-037 /HJK 2100 -2.227397933722903E-009 1.00000000E+002 /HKJ 3000 2.555528197183453E-009 1.00000000E+002 /HK 40200 1.833954250439659E-010 1.00000000E+002 /hj 41100 2.838078067568169E-010 1.00000000E+002 /hjk 42000 1.142240642419415E-009 1.00000000E+002 /hk ! !------------------------------------------------------------------------------- ! ! Legacy ! Pyrimidine FTMW+cmw+mmw A-I.r 15 381 3 0 1.0000E-012 3.0000E+000 1.0000E+000 1.0000000000 a 1 1 0 , , , ,,,,,,,,,,,,,,, 10000 6.276827006788712E+003 9.99999970E+018 20000 6.067167164281658E+003 9.99999970E+018 30000 3.084448974726221E+003 9.99999970E+018 200 -7.880465025550167E-004 9.99999970E+018 1100 2.689055269475785E-004 9.99999970E+018 2000 -8.853957908281320E-004 9.99999970E+018 40100 -3.318461857203375E-004 9.99999970E+018 41000 -6.554333587632593E-004 9.99999970E+018 300 3.008562701919916E-010 9.99999970E+018 1200 1.000000000000804E-016 9.99999970E-020 2100 -2.227397933722903E-009 9.99999970E+018 3000 2.555528197183452E-009 9.99999970E+018 40200 1.833954250439659E-010 9.99999970E+018 41100 2.838078067568169E-010 9.99999970E+018 42000 1.142240642419415E-009 9.99999970E+018 ! !-------------------------------------------------------------------------------