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Text File  |  1996-09-01  |  2.7 KB  |  150 lines
  1. "3  3    10.00   38.23300   61.76700  [itraj,v,angle,Evib,Etrans]"                    
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  6. 0                    
  7. 24                    
  8. 6.977    0    1.102    0.194    -0.058    -0.01
  9. 6.745    0    1.162    0.205    -0.062    -0.011
  10. 6.513    0    1.157    0.204    -0.061    -0.011
  11. 6.28    0    1.089    0.192    -0.058    -0.01
  12. 6.048    0    0.96    0.169    -0.051    -0.009
  13. 5.816    0    0.794    0.14    -0.042    -0.007
  14. 5.584    0    0.684    0.121    -0.036    -0.006
  15. 5.352    0    0.746    0.132    -0.04    -0.007
  16. 5.12    0    0.91    0.16    -0.048    -0.009
  17. 4.888    0    1.055    0.186    -0.056    -0.01
  18. 4.656    0    1.143    0.202    -0.061    -0.011
  19. 4.424    0    1.167    0.206    -0.062    -0.011
  20. 4.192    0    1.127    0.199    -0.06    -0.011
  21. 3.96    0    1.024    0.181    -0.054    -0.01
  22. 3.729    0    0.868    0.153    -0.046    -0.008
  23. 3.498    0    0.715    0.126    -0.038    -0.007
  24. 3.267    0    0.697    0.124    -0.037    -0.007
  25. 3.036    0    0.835    0.148    -0.044    -0.008
  26. 2.806    0    0.997    0.178    -0.053    -0.009
  27. 2.578    -0.001    1.111    0.199    -0.059    -0.011
  28. 2.351    -0.001    1.169    0.209    -0.062    -0.011
  29. 2.117    0.001    1.191    0.21    -0.063    -0.011
  30. 1.878    0.005    1.2    0.205    -0.064    -0.011
  31. 1.679    -0.001    1.177    0.208    -0.062    -0.011
  32. 1.6    -0.053    1.067    0.254    -0.057    -0.013
  33. 1.613    -0.144    0.899    0.337    -0.048    -0.018
  34. 1.667    -0.251    0.708    0.431    -0.038    -0.023
  35. 1.744    -0.368    0.534    0.552    -0.028    -0.029
  36. 1.832    -0.49    0.409    0.733    -0.022    -0.039
  37. 1.924    -0.615    0.296    0.934    -0.016    -0.05
  38. 2.019    -0.741    0.17    1.096    -0.009    -0.058
  39. 2.114    -0.867    0.035    1.198    -0.002    -0.064
  40. 2.21    -0.994    -0.103    1.236    0.005    -0.066
  41. 2.305    -1.121    -0.235    1.212    0.012    -0.064
  42. 2.401    -1.248    -0.355    1.125    0.019    -0.06
  43. 2.497    -1.375    -0.456    0.976    0.024    -0.052
  44. 2.593    -1.502    -0.532    0.774    0.028    -0.041
  45. 2.689    -1.63    -0.594    0.548    0.031    -0.029
  46. 2.786    -1.757    -0.69    0.35    0.037    -0.019
  47. 2.882    -1.884    -0.849    0.185    0.045    -0.01
  48. 2.978    -2.012    -1.012    0.024    0.054    -0.001
  49. 3.075    -2.139    -1.127    -0.137    0.06    0.007
  50. 3.171    -2.267    -1.178    -0.291    0.062    0.015
  51. 3.268    -2.394    -1.167    -0.429    0.062    0.023
  52. 3.364    -2.522    -1.096    -0.546    0.058    0.029
  53. 3.461    -2.649    -0.969    -0.634    0.051    0.034
  54. 3.557    -2.776    -0.787    -0.687    0.042    0.036
  55. 3.653    -2.904    -0.564    -0.704    0.03    0.037
  56. 3.75    -3.031    -0.332    -0.713    0.018    0.038
  57. 3.846    -3.159    -0.123    -0.778    0.007    0.041
  58. 3.943    -3.286    0.074    -0.902    -0.004    0.048
  59. 4.039    -3.414    0.268    -1.012    -0.014    0.054
  60. 4.136    -3.541    0.447    -1.07    -0.024    0.057
  61. 4.232    -3.669    0.602    -1.067    -0.032    0.057
  62. 4.329    -3.796    0.725    -1.01    -0.038    0.054
  63. 4.425    -3.924    0.811    -0.9    -0.043    0.048
  64. 4.522    -4.051    0.854    -0.744    -0.045    0.039
  65. 4.618    -4.179    0.85    -0.545    -0.045    0.029
  66. 4.715    -4.306    0.805    -0.32    -0.043    0.017
  67. 4.811    -4.434    0.767    -0.095    -0.041    0.005
  68. 4.908    -4.561    0.801    0.124    -0.042    -0.007
  69. 5.004    -4.689    0.877    0.345    -0.047    -0.018
  70. 5.101    -4.816    0.927    0.554    -0.049    -0.029
  71. 5.197    -4.944    0.926    0.733    -0.049    -0.039
  72. 5.294    -5.071    0.875    0.871    -0.046    -0.046
  73. 5.39    -5.198    0.778    0.965    -0.041    -0.051
  74. 5.487    -5.326    0.641    1.01    -0.034    -0.054
  75. 5.584    -5.453    0.471    1    -0.025    -0.053
  76. 5.68    -5.581    0.273    0.934    -0.015    -0.05
  77. 5.777    -5.708    0.064    0.831    -0.003    -0.044
  78. 5.873    -5.836    -0.146    0.755    0.008    -0.04
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