3 2 1 2 0 2 0 0 0 0 0 0 49236.98400 0.05000 1.00000 !! P.D.Godfrey, F.M.Rodgers, R.D.Brown, J.Am.Chem.Soc. 119,2232-2239(1997)! 7 2 6 6 2 5 0 0 0 0 0 0 49648.70700 0.05000 1.00000 5 2 4 4 1 3 0 0 0 0 0 0 50412.05100 0.05000 1.00000 8 0 8 7 1 7 0 0 0 0 0 0 51291.38300 0.05000 1.00000 7 3 5 6 3 4 0 0 0 0 0 0 51404.01200 0.05000 1.00000 7 4 4 6 4 3 0 0 0 0 0 0 51500.35000 0.05000 1.00000 8 1 8 7 1 7 0 0 0 0 0 0 51569.36700 0.05000 1.00000 7 4 3 6 4 2 0 0 0 0 0 0 51596.62000 0.05000 1.00000 8 0 8 7 0 7 0 0 0 0 0 0 51814.39800 0.05000 1.00000 8 1 8 7 0 7 0 0 0 0 0 0 52092.30100 0.05000 1.00000 7 1 6 6 1 5 0 0 0 0 0 0 52168.11300 0.05000 1.00000 7 3 4 6 3 3 0 0 0 0 0 0 52728.09000 0.05000 1.00000 7 2 5 6 2 4 0 0 0 0 0 0 54528.70000 0.05000 1.00000 8 2 7 7 2 6 0 0 0 0 0 0 56296.28900 0.05000 1.00000 9 0 9 8 1 8 0 0 0 0 0 0 57572.31600 0.05000 1.00000 9 1 9 8 1 8 0 0 0 0 0 0 57715.91000 0.05000 1.00000 9 0 9 8 0 8 0 0 0 0 0 0 57850.22700 0.05000 1.00000 9 1 9 8 0 8 0 0 0 0 0 0 57993.82000 0.05000 1.00000 4 2 2 3 0 3 0 0 0 0 0 0 58334.61300 0.05000 1.00000 8 1 7 7 1 6 0 0 0 0 0 0 58489.32000 0.05000 1.00000 8 3 6 7 3 5 0 0 0 0 0 0 58670.05900 0.05000 1.00000 8 4 5 7 4 4 0 0 0 0 0 0 58998.02000 0.05000 1.00000 8 4 4 7 4 3 0 0 0 0 0 0 59254.37900 0.05000 1.00000 4 3 2 3 2 1 0 0 0 0 0 0 61869.61300 0.05000 1.00000 4 3 1 3 2 2 0 0 0 0 0 0 62692.25800 0.05000 1.00000 9 2 8 8 2 7 0 0 0 0 0 0 62809.96100 0.05000 1.00000 10 1 10 9 1 9 0 0 0 0 0 0 63839.70300 0.05000 1.00000 10 0 10 9 0 9 0 0 0 0 0 0 63910.71500 0.05000 1.00000 9 1 8 8 1 7 0 0 0 0 0 0 64515.43800 0.05000 1.00000 9 3 7 8 3 6 0 0 0 0 0 0 65825.35200 0.05000 1.00000 9 4 5 8 4 4 0 0 0 0 0 0 67090.64100 0.05000 1.00000 5 3 3 4 2 2 0 0 0 0 0 0 68269.85900 0.05000 1.00000 5 2 3 4 0 4 0 0 0 0 0 0 69082.83600 0.05500 1.00000 11 1 11 10 1 10 0 0 0 0 0 0 69950.27300 0.05000 1.00000 11 0 11 10 0 10 0 0 0 0 0 0 69986.76600 0.05000 1.00000 10 1 9 9 1 8 0 0 0 0 0 0 70399.74200 0.05000 1.00000 5 3 2 4 2 3 0 0 0 0 0 0 70716.36700 0.05000 1.00000 23 3 21 22 3 20 0 0 0 0 0 0 154756.350155 0.050000 1.00000 !! IFPAN, BWO based spectroscopy @ 45C !! consistent relative intensity group ! 20 6 14 19 6 13 0 0 0 0 0 0 154761.127379 0.050000 1.00000 23 2 21 22 2 20 0 0 0 0 0 0 154766.570883 0.050000 1.00000 22 3 19 21 3 18 0 0 0 0 0 0 154869.931228 0.050000 1.00000 24 2 23 23 2 22 0 0 0 0 0 0 154998.064929 0.050000 4.75E-04 24 1 23 23 1 22 0 0 0 0 0 0 154998.064929 0.050000 4.75E-04 25 1 25 24 1 24 0 0 0 0 0 0 155293.607207 0.050000 5.02E-04 25 0 25 24 0 24 0 0 0 0 0 0 155293.607207 0.050000 5.02E-04 24 4 21 23 4 20 0 0 0 0 0 0 166772.145594 0.050000 1.00000 !! consistent relative intensity group ! 24 3 21 23 3 20 0 0 0 0 0 0 166865.467097 0.050000 1.00000 25 3 23 24 3 22 0 0 0 0 0 0 166928.424505 0.050000 1.00000 #doublet 25 2 23 24 2 22 0 0 0 0 0 0 166931.181948 0.050000 1.00000 #doublet 26 1 25 25 1 24 0 0 0 0 0 0 167182.250178 0.050000 1.00000 27 0 27 26 0 26 0 0 0 0 0 0 167480.823035 0.050000 1.00000 25 3 22 24 3 21 0 0 0 0 0 0 172904.388027 0.050000 1.00000 !! consistent relative intensity group ! 26 3 24 25 3 23 0 0 0 0 0 0 173015.066682 0.050000 1.00000 #doublet 26 2 24 25 2 23 0 0 0 0 0 0 173016.345514 0.050000 1.00000 #doublet 23 8 15 22 8 14 0 0 0 0 0 0 173175.886344 0.050000 1.00000 27 2 26 26 2 25 0 0 0 0 0 0 173274.351167 0.050000 6.18E-04 27 1 26 26 1 25 0 0 0 0 0 0 173274.351167 0.050000 6.18E-04 28 1 28 27 1 27 0 0 0 0 0 0 173574.130124 0.050000 6.50E-04 28 0 28 27 0 27 0 0 0 0 0 0 173574.130124 0.050000 6.50E-04 24 4 20 23 4 19 0 0 0 0 0 0 173600.422499 0.050000 1.00000 26 4 23 25 4 22 0 0 0 0 0 0 178930.040770 0.050000 1.00000 !! consistent relative intensity group ! 26 3 23 25 3 22 0 0 0 0 0 0 178958.141544 0.050000 1.00000 28 2 27 27 2 26 0 0 0 0 0 0 179366.387219 0.050000 6.68E-04 28 1 27 27 1 26 0 0 0 0 0 0 179366.387219 0.050000 6.68E-04 25 4 21 24 4 20 0 0 0 0 0 0 179393.078588 0.050000 1.00000 24 9 15 23 9 14 0 0 0 0 0 0 179400.910486 0.050000 1.00000 30 4 27 29 4 26 0 0 0 0 0 0 203238.946298 0.050000 1.00000 !#doublet 30 3 27 29 3 26 0 0 0 0 0 0 203241.117489 0.050000 1.00000 #doublet 32 5 28 31 5 27 0 0 0 0 0 0 221348.687305 0.050000 1.00000 !! consistent relative intensity group ! 32 4 28 31 4 27 0 0 0 0 0 0 221359.669055 0.050000 1.00000 31 6 26 30 6 25 0 0 0 0 0 0 221378.205135 0.050000 1.00000 33 4 30 32 4 29 0 0 0 0 0 0 221480.692814 0.050000 9.57E-04 33 3 30 32 3 29 0 0 0 0 0 0 221480.692814 0.050000 9.57E-04 38 3 36 37 3 35 0 0 0 0 0 0 246069.811042 0.050000 1.18E-03 !! consistent relative intensity group ! 38 2 36 37 2 35 0 0 0 0 0 0 246069.811042 0.050000 1.18E-03 39 2 38 38 2 37 0 0 0 0 0 0 246362.877857 0.050000 1.21E-03 39 1 38 38 1 37 0 0 0 0 0 0 246362.877857 0.050000 1.21E-03 40 1 40 39 1 39 0 0 0 0 0 0 246670.551226 0.050000 1.26E-03 40 0 40 39 0 39 0 0 0 0 0 0 246670.551226 0.050000 1.26E-03 36 5 31 35 5 30 0 0 0 0 0 0 251650.072278 0.050000 1.00000 !! consistent relative intensity group ! 37 5 33 36 5 32 0 0 0 0 0 0 251700.270638 0.050000 1.15E-03 37 4 33 36 4 32 0 0 0 0 0 0 251700.270638 0.050000 1.15E-03 35 7 29 34 7 28 0 0 0 0 0 0 251766.949441 0.050000 1.00000 38 4 35 37 4 34 0 0 0 0 0 0 251895.312203 0.050000 1.18E-03 38 3 35 37 3 34 0 0 0 0 0 0 251895.312203 0.050000 1.18E-03 35 6 29 34 6 28 0 0 0 0 0 0 252032.573011 0.050000 1.00000 39 3 37 38 3 36 0 0 0 0 0 0 252157.417415 0.050000 1.22E-03 39 2 37 38 2 36 0 0 0 0 0 0 252157.417415 0.050000 1.22E-03 40 2 39 39 2 38 0 0 0 0 0 0 252451.599727 0.050000 1.26E-03 40 1 39 39 1 38 0 0 0 0 0 0 252451.599727 0.050000 1.26E-03 41 0 41 40 0 40 0 0 0 0 0 0 252759.710507 0.050000 1.30E-03 41 1 41 40 1 40 0 0 0 0 0 0 252759.710507 0.050000 1.30E-03 34 7 27 33 7 26 0 0 0 0 0 0 254401.098499 0.050000 1.00000 !! consistent relative intensity group ! 34 9 26 33 9 25 0 0 0 0 0 0 255746.595724 0.050000 1.00000 38 5 34 37 5 33 0 0 0 0 0 0 257774.863029 0.050000 1.19E-03 38 4 34 37 4 33 0 0 0 0 0 0 257774.863029 0.050000 1.19E-03 36 6 30 35 6 29 0 0 0 0 0 0 257962.065192 0.050000 1.00000 39 4 36 38 4 35 0 0 0 0 0 0 257978.940315 0.050000 1.23E-03 39 3 36 38 3 35 0 0 0 0 0 0 257978.940315 0.050000 1.23E-03 41 2 40 40 2 39 0 0 0 0 0 0 258540.095470 0.050000 1.30E-03 41 1 40 40 1 39 0 0 0 0 0 0 258540.095470 0.050000 1.30E-03 42 0 42 41 0 41 0 0 0 0 0 0 258848.622798 0.050000 1.34E-03 42 1 42 41 1 41 0 0 0 0 0 0 258848.622798 0.050000 1.34E-03 38 5 33 37 5 32 0 0 0 0 0 0 263751.713896 0.050000 1.00000 !! consistent relative intensity group ! 37 7 31 36 7 30 0 0 0 0 0 0 263839.262957 0.050000 1.00000 39 5 35 38 5 34 0 0 0 0 0 0 263850.258221 0.050000 1.23E-03 39 4 35 38 4 34 0 0 0 0 0 0 263850.258221 0.050000 1.23E-03 40 4 37 39 4 36 0 0 0 0 0 0 264062.659819 0.050000 1.26E-03 40 3 37 39 3 36 0 0 0 0 0 0 264062.659819 0.050000 1.26E-03 41 3 39 40 3 38 0 0 0 0 0 0 264331.416900 0.050000 1.30E-03 41 2 39 40 2 38 0 0 0 0 0 0 264331.416900 0.050000 1.30E-03 42 2 41 41 2 40 0 0 0 0 0 0 264628.161734 0.050000 1.34E-03 42 1 41 41 1 40 0 0 0 0 0 0 264628.161734 0.050000 1.34E-03 38 7 32 37 7 31 0 0 0 0 0 0 269871.339812 0.050000 1.00000 !! consistent relative intensity group ! 38 6 32 37 6 31 0 0 0 0 0 0 269922.624685 0.050000 1.00000 40 5 36 39 5 35 0 0 0 0 0 0 269926.686638 0.050000 1.27E-03 40 4 36 39 4 35 0 0 0 0 0 0 269926.686638 0.050000 1.27E-03 42 3 40 41 3 39 0 0 0 0 0 0 270418.152353 0.050000 1.33E-03 42 2 40 41 2 39 0 0 0 0 0 0 270418.152353 0.050000 1.33E-03 43 2 42 42 2 41 0 0 0 0 0 0 270715.711163 0.050000 1.37E-03 43 1 42 42 1 41 0 0 0 0 0 0 270715.711163 0.050000 1.37E-03 37 7 30 36 7 29 0 0 0 0 0 0 270868.291506 0.050000 1.22E-03 42 4 39 41 4 38 0 0 0 0 0 0 276229.879748 0.050000 1.33E-03 !! consistent relative intensity group ! 42 3 39 41 3 38 0 0 0 0 0 0 276229.879748 0.050000 1.33E-03 43 3 41 42 3 40 0 0 0 0 0 0 276504.341663 0.050000 1.37E-03 43 2 41 42 2 40 0 0 0 0 0 0 276504.341663 0.050000 1.37E-03 44 1 43 43 1 42 0 0 0 0 0 0 276802.988982 0.050000 1.41E-03 44 2 43 43 2 42 0 0 0 0 0 0 276802.988982 0.050000 1.41E-03 45 1 45 44 1 44 0 0 0 0 0 0 277112.490610 0.050000 1.45E-03 45 0 45 44 0 44 0 0 0 0 0 0 277112.490610 0.050000 1.45E-03