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Text File  |  1994-08-02  |  646 b   |  21 lines
  1. C = 1.5 (.5,.5,.5)
  2. O = 1.4 (1.,0.,0.)
  3. N = 1.5 (0.,0.,1.)
  4. H = 0.90 (1.0, 1.0, 1.0)
  5. ; PRO 42
  6. N :           27.245   7.216   7.051
  7. C :           28.120   6.399   7.807
  8. C :           28.709   7.019   9.072
  9. O :           28.814   6.312  10.061
  10. C :           29.251   5.967   6.878
  11. C :           29.189   6.865   5.704
  12. C :           27.791   7.476   5.696
  13. H :           27.558   5.622   8.262
  14. H :           30.136   6.092   7.390
  15. H :           29.301   4.930   6.726
  16. H :           29.850   7.488   5.726
  17. H :           29.220   6.244   4.821
  18. H :           27.757   8.470   5.379
  19. H :           27.163   6.911   5.024
  20. O :           29.192   8.230   8.999
  21.