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Text File  |  1996-09-01  |  2.6 KB  |  150 lines
  1. "4  3    15.00   38.23300   61.76700  [itraj,v,angle,Evib,Etrans]"                    
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  6. 0                    
  7. 24                    
  8. 6.977    0    1.081    0.29    -0.057    -0.015
  9. 6.745    0    1.139    0.305    -0.06    -0.016
  10. 6.513    0    1.135    0.304    -0.06    -0.016
  11. 6.28    0    1.068    0.286    -0.057    -0.015
  12. 6.048    0    0.942    0.252    -0.05    -0.013
  13. 5.816    0    0.778    0.209    -0.041    -0.011
  14. 5.584    0    0.671    0.18    -0.036    -0.01
  15. 5.352    0    0.732    0.196    -0.039    -0.01
  16. 5.12    0    0.892    0.239    -0.047    -0.013
  17. 4.888    0    1.035    0.277    -0.055    -0.015
  18. 4.656    0    1.121    0.3    -0.059    -0.016
  19. 4.424    0    1.145    0.307    -0.061    -0.016
  20. 4.192    0    1.106    0.296    -0.059    -0.016
  21. 3.96    0    1.004    0.269    -0.053    -0.014
  22. 3.729    0    0.851    0.228    -0.045    -0.012
  23. 3.497    0    0.701    0.188    -0.037    -0.01
  24. 3.266    0    0.683    0.184    -0.036    -0.01
  25. 3.036    0    0.819    0.221    -0.043    -0.012
  26. 2.806    -0.001    0.977    0.265    -0.052    -0.014
  27. 2.578    -0.001    1.089    0.296    -0.058    -0.016
  28. 2.351    -0.001    1.145    0.312    -0.061    -0.017
  29. 2.119    0.001    1.16    0.313    -0.062    -0.017
  30. 1.88    0.007    1.158    0.302    -0.061    -0.016
  31. 1.661    0.009    1.14    0.293    -0.06    -0.016
  32. 1.529    -0.031    1.064    0.323    -0.056    -0.017
  33. 1.493    -0.125    0.932    0.405    -0.049    -0.022
  34. 1.511    -0.243    0.774    0.504    -0.041    -0.027
  35. 1.562    -0.376    0.592    0.607    -0.031    -0.032
  36. 1.63    -0.52    0.411    0.726    -0.022    -0.039
  37. 1.706    -0.669    0.238    0.867    -0.013    -0.046
  38. 1.784    -0.82    0.061    0.995    -0.003    -0.053
  39. 1.864    -0.972    -0.119    1.077    0.006    -0.057
  40. 1.944    -1.124    -0.292    1.099    0.016    -0.058
  41. 2.024    -1.276    -0.45    1.059    0.024    -0.056
  42. 2.105    -1.428    -0.582    0.96    0.031    -0.051
  43. 2.185    -1.581    -0.681    0.807    0.036    -0.043
  44. 2.266    -1.733    -0.743    0.609    0.039    -0.032
  45. 2.347    -1.886    -0.776    0.387    0.041    -0.021
  46. 2.428    -2.039    -0.812    0.164    0.043    -0.009
  47. 2.509    -2.192    -0.871    -0.054    0.046    0.003
  48. 2.59    -2.344    -0.929    -0.27    0.049    0.014
  49. 2.671    -2.497    -0.949    -0.475    0.05    0.025
  50. 2.752    -2.65    -0.917    -0.653    0.049    0.035
  51. 2.833    -2.803    -0.832    -0.794    0.044    0.042
  52. 2.915    -2.956    -0.701    -0.89    0.037    0.047
  53. 2.996    -3.109    -0.531    -0.937    0.028    0.05
  54. 3.077    -3.262    -0.331    -0.93    0.018    0.049
  55. 3.158    -3.415    -0.114    -0.882    0.006    0.047
  56. 3.24    -3.568    0.104    -0.824    -0.006    0.044
  57. 3.321    -3.721    0.327    -0.788    -0.017    0.042
  58. 3.402    -3.874    0.551    -0.762    -0.029    0.04
  59. 3.483    -4.027    0.757    -0.711    -0.04    0.038
  60. 3.565    -4.18    0.921    -0.623    -0.049    0.033
  61. 3.646    -4.333    1.034    -0.499    -0.055    0.026
  62. 3.727    -4.486    1.088    -0.347    -0.058    0.018
  63. 3.808    -4.639    1.081    -0.175    -0.057    0.009
  64. 3.89    -4.792    1.013    0.007    -0.054    0
  65. 3.971    -4.945    0.894    0.188    -0.047    -0.01
  66. 4.052    -5.098    0.754    0.367    -0.04    -0.019
  67. 4.134    -5.251    0.63    0.555    -0.033    -0.029
  68. 4.215    -5.404    0.52    0.753    -0.028    -0.04
  69. 4.296    -5.557    0.399    0.933    -0.021    -0.049
  70. 4.378    -5.71    0.258    1.065    -0.014    -0.057
  71. 4.459    -5.863    0.103    1.138    -0.005    -0.06
  72. 4.54    -6.016    -0.058    1.146    0.003    -0.061
  73. 4.621    -6.169    -0.216    1.09    0.011    -0.058
  74. 4.703    -6.322    -0.362    0.971    0.019    -0.052
  75. 4.784    -6.475    -0.488    0.802    0.026    -0.043
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