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Text File  |  1996-09-01  |  3.1 KB  |  150 lines
  1. "3  5    10.00   57.36100   42.63900  [itraj,v,angle,Evib,Etrans]"                    
  2.  
  3.  
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  5.  
  6. 0                    
  7. 25                    
  8. 6.981    0    1.198    0.211    -0.064    -0.011
  9. 6.788    0    1.271    0.224    -0.067    -0.012
  10. 6.595    0    1.283    0.226    -0.068    -0.012
  11. 6.402    0    1.236    0.218    -0.066    -0.012
  12. 6.209    0    1.128    0.199    -0.06    -0.011
  13. 6.017    0    0.957    0.169    -0.051    -0.009
  14. 5.824    0    0.753    0.133    -0.04    -0.007
  15. 5.631    0    0.65    0.115    -0.035    -0.006
  16. 5.438    0    0.773    0.136    -0.041    -0.007
  17. 5.245    0    0.978    0.172    -0.052    -0.009
  18. 5.052    0    1.142    0.201    -0.061    -0.011
  19. 4.86    0    1.244    0.219    -0.066    -0.012
  20. 4.667    0    1.285    0.227    -0.068    -0.012
  21. 4.474    0    1.266    0.223    -0.067    -0.012
  22. 4.282    0    1.187    0.209    -0.063    -0.011
  23. 4.089    0    1.044    0.184    -0.055    -0.01
  24. 3.897    0    0.848    0.15    -0.045    -0.008
  25. 3.705    0    0.672    0.119    -0.036    -0.006
  26. 3.513    0    0.693    0.123    -0.037    -0.007
  27. 3.321    0    0.883    0.157    -0.047    -0.008
  28. 3.13    0    1.072    0.191    -0.057    -0.01
  29. 2.94    0    1.203    0.215    -0.064    -0.011
  30. 2.749    -0.001    1.275    0.228    -0.068    -0.012
  31. 2.554    0    1.3    0.231    -0.069    -0.012
  32. 2.345    0.004    1.301    0.224    -0.069    -0.012
  33. 2.116    0.013    1.299    0.208    -0.069    -0.011
  34. 1.883    0.024    1.296    0.19    -0.069    -0.01
  35. 1.729    0.014    1.231    0.191    -0.065    -0.01
  36. 1.707    -0.039    1.064    0.231    -0.056    -0.012
  37. 1.745    -0.111    0.855    0.288    -0.045    -0.015
  38. 1.813    -0.19    0.642    0.356    -0.034    -0.019
  39. 1.898    -0.275    0.527    0.494    -0.028    -0.026
  40. 1.991    -0.363    0.51    0.724    -0.027    -0.038
  41. 2.088    -0.453    0.495    0.956    -0.026    -0.051
  42. 2.187    -0.544    0.453    1.137    -0.024    -0.06
  43. 2.287    -0.636    0.386    1.261    -0.02    -0.067
  44. 2.388    -0.728    0.302    1.328    -0.016    -0.07
  45. 2.489    -0.82    0.206    1.34    -0.011    -0.071
  46. 2.59    -0.913    0.1    1.296    -0.005    -0.069
  47. 2.691    -1.005    -0.01    1.193    0.001    -0.063
  48. 2.793    -1.098    -0.119    1.025    0.006    -0.054
  49. 2.895    -1.191    -0.224    0.808    0.012    -0.043
  50. 2.996    -1.284    -0.341    0.62    0.018    -0.033
  51. 3.098    -1.377    -0.533    0.563    0.028    -0.03
  52. 3.2    -1.47    -0.777    0.569    0.041    -0.03
  53. 3.302    -1.563    -0.994    0.559    0.053    -0.03
  54. 3.404    -1.656    -1.157    0.517    0.061    -0.027
  55. 3.506    -1.748    -1.263    0.45    0.067    -0.024
  56. 3.608    -1.841    -1.315    0.363    0.07    -0.019
  57. 3.709    -1.934    -1.313    0.262    0.07    -0.014
  58. 3.811    -2.027    -1.254    0.149    0.067    -0.008
  59. 3.913    -2.12    -1.133    0.029    0.06    -0.002
  60. 4.015    -2.213    -0.95    -0.092    0.05    0.005
  61. 4.117    -2.306    -0.738    -0.212    0.039    0.011
  62. 4.219    -2.399    -0.609    -0.363    0.032    0.019
  63. 4.321    -2.492    -0.61    -0.587    0.032    0.031
  64. 4.423    -2.585    -0.632    -0.826    0.034    0.044
  65. 4.525    -2.678    -0.623    -1.024    0.033    0.054
  66. 4.627    -2.771    -0.581    -1.167    0.031    0.062
  67. 4.729    -2.864    -0.511    -1.257    0.027    0.067
  68. 4.831    -2.957    -0.421    -1.293    0.022    0.069
  69. 4.933    -3.05    -0.313    -1.277    0.017    0.068
  70. 5.035    -3.143    -0.191    -1.202    0.01    0.064
  71. 5.137    -3.236    -0.059    -1.064    0.003    0.056
  72. 5.239    -3.329    0.076    -0.871    -0.004    0.046
  73. 5.341    -3.422    0.216    -0.686    -0.011    0.036
  74. 5.443    -3.515    0.401    -0.631    -0.021    0.033
  75. 5.545    -3.608    0.639    -0.67    -0.034    0.036
  76. 5.646    -3.701    0.863    -0.698    -0.046    0.037
  77. 5.748    -3.794    1.04    -0.688    -0.055    0.037
  78. 5.85    -3.887    1.165    -0.644    -0.062    0.034
  79. 5.952    -3.98    1.239    -0.571    -0.066    0.03
  80. 6.054    -4.073    1.261    -0.474    -0.067    0.025
  81. 6.156    -4.166    1.23    -0.357    -0.065    0.019
  82. 6.258    -4.259    1.14    -0.224    -0.06    0.012
  83. 6.36    -4.352    0.988    -0.078    -0.052    0.004
  84. 6.462    -4.445    0.795    0.072    -0.042    -0.004
  85. 6.564    -4.538    0.664    0.234    -0.035    -0.012
  86. 6.666    -4.631    0.678    0.446    -0.036    -0.024
  87. 6.768    -4.724    0.739    0.682    -0.039    -0.036
  88. 6.87    -4.817    0.767    0.887    -0.041    -0.047
  89. 6.972    -4.91    0.754    1.044    -0.04    -0.055
  90. 7.074    -5.003    0.705    1.152    -0.037    -0.061
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