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CHEMICAL molecule Data  |  1988-06-26  |  2.6 KB  |  57 lines
  1. chemical_name("Threonine  (Amino Acid)")
  2. chemical(a(16,"H ",o("1s",1,"σ",3)))
  3. chemical(a(3,"C ",o("sp3_6^",1,"σ",16)))
  4. chemical(a(15,"H ",o("1s",1,"σ",2)))
  5. chemical(a(2,"C ",o("sp3_6^",1,"σ",15)))
  6. chemical(a(14,"H ",o("1s",1,"σ",4)))
  7. chemical(a(4,"C ",o("sp3_6'",1,"σ",14)))
  8. chemical(a(13,"H ",o("1s",1,"σ",4)))
  9. chemical(a(4,"C ",o("sp3_6^",1,"σ",13)))
  10. chemical(a(12,"H ",o("1s",1,"σ",4)))
  11. chemical(a(4,"C ",o("sp3_6~",1,"σ",12)))
  12. chemical(a(8,"O ",o("3p(y)",1,"σ",3)))
  13. chemical(a(3,"C ",o("sp3_6~",1,"σ",8)))
  14. chemical(a(11,"H ",o("2p(x)",1,"σ",7)))
  15. chemical(a(7,"N ",o("sp3~",1,"σ",11)))
  16. chemical(a(10,"H ",o("1s",1,"σ",7)))
  17. chemical(a(7,"N ",o("sp3'",1,"σ",10)))
  18. chemical(a(9,"H ",o("1s",1,"σ",7)))
  19. chemical(a(7,"N ",o("sp3`",1,"σ",9)))
  20. chemical(a(7,"N ",o("sp3^",1,"σ",2)))
  21. chemical(a(2,"C ",o("sp3_6~",1,"σ",7)))
  22. chemical(a(6,"O ",o("3p(y)",1,"σ",1)))
  23. chemical(a(1,"C ",o("sp2'",1,"σ",6)))
  24. chemical(a(5,"O ",o("3p(y)",1,"σ",1)))
  25. chemical(a(1,"C ",o("sp2^",1,"σ",5)))
  26. chemical(a(4,"C ",o("sp3_6`",1,"σ",3)))
  27. chemical(a(3,"C ",o("sp3_6`",1,"σ",4)))
  28. chemical(a(3,"C ",o("sp3_6'",1,"σ",2)))
  29. chemical(a(2,"C ",o("sp3_6'",1,"σ",3)))
  30. chemical(a(2,"C ",o("sp3_6`",1,"σ",1)))
  31. chemical(a(1,"C ",o("sp2`",1,"σ",2)))
  32. atomlocation(16,l(-1647,-1324,-1232,0.375,5.4315177602,-4.1889973392,0.18645658392,3848),1)
  33. atomlocation(15,l(1167,-1324,489,0.375,0.85166819309,-1.0473899998,6.0967225858,3848),1)
  34. atomlocation(14,l(-3457,-341,1205,0.375,0,-3.14159265,0,3848),1)
  35. atomlocation(13,l(-1563,-1324,2065,0.375,0.85166475065,-1.0474020358,6.0967261616,3848),1)
  36. atomlocation(12,l(-1563,642,2065,0.375,5.4315170013,-1.0474020358,0.18645736822,3848),1)
  37. atomlocation(11,l(2596,1292,312,0.375,0.67874941873,-5.9531220827,0.057747115133,3848),1)
  38. atomlocation(10,l(1385,489,2071,0.375,0.32794780877,-1.5195534184,6.2748965301,3848),1)
  39. atomlocation(9,l(477,2054,680,0.375,1.5076938483,-3.2253127848,5.4413401027,3848),1)
  40. atomlocation(8,l(-1797,939,-1492,0.7,5.5640529818,25.656132871,0.05533081779,269),1)
  41. atomlocation(7,l(1317,939,750,0.7,5.0437759447,1.5626099966,0.14961552833,3596),1)
  42. atomlocation(6,l(3382,-341,-1937,0.7,1.57079633,32.98672287,0,269),1)
  43. atomlocation(5,l(670,-341,-3503,0.7,4.712387211,25.656144907,0,269),1)
  44. atomlocation(4,l(-2060,-341,1205,0.7,0,62.831855737,0,1290),1)
  45. atomlocation(3,l(-1150,-341,-371,0.7,0,-3.14159265,0,1290),1)
  46. atomlocation(2,l(670,-341,-371,0.7,0,62.831867773,0,1290),1)
  47. atomlocation(1,l(1574,-341,-1937,0.691,6.2832,6.2832,6.2832,1290),1)
  48. commandactive("Files")
  49. viewshown("Top")
  50. grid(8)
  51. atom_count(17)
  52. valencelist(7,1,5)
  53. valencelist(4,1,4)
  54. valencelist(3,1,4)
  55. valencelist(2,1,4)
  56. valencelist(1,1,4)
  57.