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Text File  |  1993-05-14  |  869 b   |  39 lines  |  [TEXT/MOLE]
  1. ;L-alanine
  2. ; Stick colour
  3. 2(0.700000, 0.700000, 0.700000)
  4. ; Model
  5. BS
  6. ; Definitions
  7. C = 1.155, 0.600(0.500000, 0.500000, 0.500000)
  8. H = 0.675, 0.363(1.000000, 1.000000, 1.000000)
  9. O = 1.078, 0.560(1.000000, 0.000000, 0.000000)
  10. N = 1.025, 0.532(0.000000, 0.000000, 1.000000)
  11. ; Instances            
  12. N1:    -0.7305    0.0715    0.9158
  13. C2:    0.5709    0.075    0.1718
  14. C3:    0.6002    1.3697    -0.5876
  15. C4:    0.5742    -1.1793    -0.7043
  16. O5:    1.3131    1.5234    -1.5962
  17. H6:    -0.8257    -0.8289    1.4373
  18. H7:    1.4106    0.0582    0.9063
  19. H8:    1.5219    -1.2592    -1.2852
  20. H9:    -0.2721    -1.1689    -1.4294
  21. H10:    0.483    -2.101    -0.0845
  22. H11:    -1.5219    0.1617    0.2391
  23. O12:    -0.2747    2.101    -0.0785
  24. H13:    -0.7554    0.8645    1.5962
  25. ; Bonds
  26. N1,C2            
  27. N1,H6            
  28. N1,H11
  29. N1,H13
  30. C2,C3
  31. C2,C4
  32. C2,H7
  33. C3,O5
  34. C3,O12
  35. C4,H8
  36. C4,H9
  37. C4,H10
  38. ••L-alanine
  39. ••Alanine is the amino acid in which "R" is a methyl group. The colors used to designate atoms are grey = C, white = H, red = O, blue = N.