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Text File  |  1996-09-01  |  2.5 KB  |  150 lines
  1. "7  6    30.00   66.18300   33.81700  [itraj,v,angle,Evib,Etrans]"                    
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  6. 2                    
  7. 26                    
  8. 6.983    0    1.097    0.633    -0.058    -0.034
  9. 6.811    0    1.164    0.672    -0.062    -0.036
  10. 6.639    0    1.182    0.683    -0.063    -0.036
  11. 6.468    0    1.152    0.665    -0.061    -0.035
  12. 6.296    0    1.07    0.618    -0.057    -0.033
  13. 6.124    0    0.934    0.539    -0.05    -0.029
  14. 5.952    0    0.749    0.432    -0.04    -0.023
  15. 5.781    0    0.582    0.336    -0.031    -0.018
  16. 5.609    0    0.604    0.349    -0.032    -0.018
  17. 5.437    0    0.785    0.453    -0.042    -0.024
  18. 5.266    0    0.963    0.556    -0.051    -0.03
  19. 5.094    0    1.089    0.629    -0.058    -0.033
  20. 4.922    0    1.161    0.67    -0.062    -0.036
  21. 4.751    0    1.183    0.683    -0.063    -0.036
  22. 4.579    0    1.156    0.667    -0.061    -0.035
  23. 4.407    0    1.078    0.623    -0.057    -0.033
  24. 4.236    0    0.946    0.547    -0.05    -0.029
  25. 4.065    0    0.763    0.441    -0.04    -0.023
  26. 3.893    0    0.59    0.341    -0.031    -0.018
  27. 3.722    0    0.593    0.344    -0.031    -0.018
  28. 3.551    0    0.769    0.447    -0.041    -0.024
  29. 3.38    -0.001    0.95    0.552    -0.05    -0.029
  30. 3.21    -0.001    1.079    0.628    -0.057    -0.033
  31. 3.04    -0.001    1.154    0.673    -0.061    -0.036
  32. 2.87    -0.001    1.18    0.689    -0.063    -0.037
  33. 2.7    -0.001    1.16    0.677    -0.062    -0.036
  34. 2.529    0    1.095    0.637    -0.058    -0.034
  35. 2.358    0.002    0.983    0.567    -0.052    -0.03
  36. 2.188    0.004    0.82    0.469    -0.043    -0.025
  37. 2.026    0.005    0.636    0.361    -0.034    -0.019
  38. 1.872    0.004    0.57    0.326    -0.03    -0.017
  39. 1.735    0    0.704    0.411    -0.037    -0.022
  40. 1.622    -0.009    0.88    0.534    -0.047    -0.028
  41. 1.536    -0.021    1.035    0.649    -0.055    -0.034
  42. 1.465    -0.022    1.193    0.752    -0.063    -0.04
  43. 1.4    -0.002    1.367    0.841    -0.073    -0.045
  44. 1.338    0.043    1.551    0.913    -0.082    -0.048
  45. 1.275    0.114    1.737    0.966    -0.092    -0.051
  46. 1.207    0.206    1.917    1.002    -0.102    -0.053
  47. 1.122    0.307    2.088    1.025    -0.111    -0.054
  48. 1.001    0.402    2.25    1.042    -0.119    -0.055
  49. 0.828    0.476    2.409    1.057    -0.128    -0.056
  50. 0.605    0.524    2.568    1.072    -0.136    -0.057
  51. 0.374    0.568    2.727    1.087    -0.145    -0.058
  52. 0.192    0.676    2.889    1.105    -0.153    -0.059
  53. 0.046    0.856    3.053    1.126    -0.162    -0.06
  54. -0.098    1.029    3.218    1.148    -0.171    -0.061
  55. -0.246    1.147    3.382    1.166    -0.179    -0.062
  56. -0.391    1.196    3.547    1.182    -0.188    -0.063
  57. -0.525    1.18    3.712    1.194    -0.197    -0.063
  58. -0.641    1.098    3.878    1.203    -0.206    -0.064
  59. -0.734    0.953    4.045    1.209    -0.215    -0.064
  60. -0.798    0.751    4.214    1.212    -0.224    -0.064
  61. -0.845    0.523    4.383    1.215    -0.233    -0.064
  62. -0.932    0.327    4.551    1.218    -0.241    -0.065
  63. -1.102    0.18    4.714    1.224    -0.25    -0.065
  64. -1.295    0.043    4.877    1.231    -0.259    -0.065
  65. -1.442    -0.098    5.041    1.237    -0.267    -0.066
  66. -1.524    -0.237    5.209    1.243    -0.276    -0.066
  67. -1.538    -0.367    5.38    1.25    -0.285    -0.066
  68. -1.487    -0.481    5.554    1.258    -0.295    -0.067
  69. -1.372    -0.573    5.732    1.266    -0.304    -0.067
  70. -1.198    -0.637    5.912    1.276    -0.314    -0.068
  71. -0.982    -0.675    6.094    1.287    -0.323    -0.068
  72. -0.778    -0.728    6.275    1.298    -0.333    -0.069
  73. -0.626    -0.861    6.454    1.304    -0.342    -0.069
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