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Text File  |  1996-09-01  |  2.6 KB  |  150 lines
  1. "  7  0    30.00    5.83200   94.16800  [itraj,v,angle,Evib,Etrans]"                    
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  6. 0                    
  7. 23                    
  8. 6.971    0    0.819    0.473    -0.043    -0.025
  9. 6.685    0    0.838    0.484    -0.044    -0.026
  10. 6.398    0    0.823    0.475    -0.044    -0.025
  11. 6.112    0    0.776    0.448    -0.041    -0.024
  12. 5.825    0    0.719    0.415    -0.038    -0.022
  13. 5.538    0    0.686    0.396    -0.036    -0.021
  14. 5.252    0    0.704    0.406    -0.037    -0.022
  15. 4.965    0    0.757    0.437    -0.04    -0.023
  16. 4.679    0    0.809    0.467    -0.043    -0.025
  17. 4.392    0    0.837    0.483    -0.044    -0.026
  18. 4.106    0    0.829    0.479    -0.044    -0.025
  19. 3.819    0    0.789    0.456    -0.042    -0.024
  20. 3.533    0    0.731    0.423    -0.039    -0.022
  21. 3.247    0    0.689    0.399    -0.037    -0.021
  22. 2.962    0    0.694    0.402    -0.037    -0.021
  23. 2.677    -0.001    0.741    0.431    -0.039    -0.023
  24. 2.394    -0.001    0.796    0.465    -0.042    -0.025
  25. 2.115    -0.003    0.828    0.487    -0.044    -0.026
  26. 1.844    -0.006    0.826    0.494    -0.044    -0.026
  27. 1.591    -0.013    0.791    0.488    -0.042    -0.026
  28. 1.377    -0.031    0.73    0.486    -0.039    -0.026
  29. 1.235    -0.076    0.652    0.516    -0.035    -0.027
  30. 1.183    -0.164    0.566    0.603    -0.03    -0.032
  31. 1.201    -0.293    0.475    0.744    -0.025    -0.039
  32. 1.252    -0.449    0.369    0.904    -0.02    -0.048
  33. 1.311    -0.616    0.243    1.043    -0.013    -0.055
  34. 1.368    -0.787    0.103    1.138    -0.005    -0.06
  35. 1.42    -0.957    -0.044    1.178    0.002    -0.063
  36. 1.468    -1.125    -0.189    1.161    0.01    -0.062
  37. 1.515    -1.292    -0.325    1.082    0.017    -0.057
  38. 1.562    -1.459    -0.444    0.944    0.024    -0.05
  39. 1.609    -1.627    -0.539    0.757    0.029    -0.04
  40. 1.656    -1.795    -0.621    0.547    0.033    -0.029
  41. 1.703    -1.963    -0.724    0.354    0.038    -0.019
  42. 1.751    -2.131    -0.865    0.181    0.046    -0.01
  43. 1.798    -2.299    -1    0.008    0.053    0
  44. 1.846    -2.468    -1.087    -0.164    0.058    0.009
  45. 1.894    -2.636    -1.113    -0.327    0.059    0.017
  46. 1.942    -2.805    -1.078    -0.472    0.057    0.025
  47. 1.99    -2.974    -0.982    -0.59    0.052    0.031
  48. 2.038    -3.142    -0.832    -0.676    0.044    0.036
  49. 2.086    -3.311    -0.635    -0.724    0.034    0.038
  50. 2.134    -3.48    -0.413    -0.745    0.022    0.039
  51. 2.182    -3.649    -0.195    -0.777    0.01    0.041
  52. 2.23    -3.818    0.012    -0.854    -0.001    0.045
  53. 2.279    -3.987    0.217    -0.941    -0.012    0.05
  54. 2.327    -4.155    0.412    -0.992    -0.022    0.053
  55. 2.375    -4.324    0.584    -0.987    -0.031    0.052
  56. 2.423    -4.493    0.724    -0.927    -0.038    0.049
  57. 2.472    -4.662    0.823    -0.816    -0.044    0.043
  58. 2.52    -4.832    0.877    -0.659    -0.047    0.035
  59. 2.568    -5.001    0.881    -0.465    -0.047    0.025
  60. 2.616    -5.17    0.844    -0.249    -0.045    0.013
  61. 2.665    -5.339    0.805    -0.03    -0.043    0.002
  62. 2.713    -5.508    0.808    0.189    -0.043    -0.01
  63. 2.761    -5.677    0.836    0.412    -0.044    -0.022
  64. 2.809    -5.846    0.842    0.621    -0.045    -0.033
  65. 2.858    -6.015    0.802    0.797    -0.043    -0.042
  66. 2.906    -6.184    0.717    0.928    -0.038    -0.049
  67. 2.954    -6.353    0.592    1.007    -0.031    -0.053
  68. 3.002    -6.522    0.434    1.031    -0.023    -0.055
  69. 3.051    -6.691    0.252    0.997    -0.013    -0.053
  70. 3.099    -6.86    0.057    0.911    -0.003    -0.048
  71. 3.147    -7.029    -0.141    0.806    0.008    -0.043
  72. 3.195    -7.198    -0.348    0.734    0.018    -0.039
  73. 3.244    -7.367    -0.568    0.697    0.03    -0.037
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