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CHEMICAL molecule Data  |  1988-06-26  |  3.2 KB  |  71 lines
  1. chemical_name("Glutamine  (Amino Acid)")
  2. chemical(a(20,"H ",o("1s",1,"σ",18)))
  3. chemical(a(18,"N ",o("sp2`",1,"σ",20)))
  4. chemical(a(19,"H ",o("1s",1,"σ",18)))
  5. chemical(a(18,"N ",o("sp2^",1,"σ",19)))
  6. chemical(a(17,"O ",o("3p(y)",1,"σ",5)))
  7. chemical(a(5,"C ",o("sp2^",1,"σ",17)))
  8. chemical(a(18,"N ",o("sp2'",1,"σ",5)))
  9. chemical(a(5,"C ",o("sp2`",1,"σ",18)))
  10. chemical(a(16,"H ",o("1s",1,"σ",4)))
  11. chemical(a(4,"C ",o("sp3_6^",1,"σ",16)))
  12. chemical(a(15,"H ",o("1s",1,"σ",3)))
  13. chemical(a(3,"C ",o("sp3_6^",1,"σ",15)))
  14. chemical(a(14,"H ",o("1s",1,"σ",4)))
  15. chemical(a(4,"C ",o("sp3_6~",1,"σ",14)))
  16. chemical(a(13,"H ",o("1s",1,"σ",3)))
  17. chemical(a(3,"C ",o("sp3_6~",1,"σ",13)))
  18. chemical(a(12,"H ",o("1s",1,"σ",2)))
  19. chemical(a(2,"C ",o("sp3_6^",1,"σ",12)))
  20. chemical(a(11,"H ",o("2p(x)",1,"σ",8)))
  21. chemical(a(8,"N ",o("sp3~",1,"σ",11)))
  22. chemical(a(10,"H ",o("1s",1,"σ",8)))
  23. chemical(a(8,"N ",o("sp3'",1,"σ",10)))
  24. chemical(a(9,"H ",o("1s",1,"σ",8)))
  25. chemical(a(8,"N ",o("sp3`",1,"σ",9)))
  26. chemical(a(8,"N ",o("sp3^",1,"σ",2)))
  27. chemical(a(2,"C ",o("sp3_6~",1,"σ",8)))
  28. chemical(a(7,"O ",o("3p(y)",1,"σ",1)))
  29. chemical(a(1,"C ",o("sp2'",1,"σ",7)))
  30. chemical(a(6,"O ",o("3p(y)",1,"σ",1)))
  31. chemical(a(1,"C ",o("sp2^",1,"σ",6)))
  32. chemical(a(5,"C ",o("sp2'",1,"σ",4)))
  33. chemical(a(4,"C ",o("sp3_6'",1,"σ",5)))
  34. chemical(a(4,"C ",o("sp3_6`",1,"σ",3)))
  35. chemical(a(3,"C ",o("sp3_6`",1,"σ",4)))
  36. chemical(a(3,"C ",o("sp3_6'",1,"σ",2)))
  37. chemical(a(2,"C ",o("sp3_6'",1,"σ",3)))
  38. chemical(a(2,"C ",o("sp3_6`",1,"σ",1)))
  39. chemical(a(1,"C ",o("sp2`",1,"σ",2)))
  40. atomlocation(20,l(-3071,-258,3510,0.375,0,-1.0472020321,0,3848),1)
  41. atomlocation(19,l(-5167,-258,2300,0.375,0,-3.1418020285,0,3848),1)
  42. atomlocation(18,l(-3770,-258,2300,0.7,0,-2.0943973392,0,3596),1)
  43. atomlocation(17,l(-3770,-258,-832,0.7,4.712387211,25.656132871,0,269),1)
  44. atomlocation(16,l(-561,-1241,1594,0.375,0.85166475065,-1.0474020358,6.0967261616,3848),1)
  45. atomlocation(15,l(-645,-1241,-1703,0.375,5.4315177602,-4.1889973392,0.18645658392,3848),1)
  46. atomlocation(14,l(-561,725,1594,0.375,5.4315170013,-1.0474020358,0.18645736822,3848),1)
  47. atomlocation(13,l(-645,725,-1703,0.375,0.85166577076,-4.1889973392,6.0967269471,3848),1)
  48. atomlocation(12,l(2169,-1241,18,0.375,0.85166819309,-1.0473899998,6.0967225858,3848),1)
  49. atomlocation(11,l(3598,1375,-159,0.375,0.67874941873,-5.9531220827,0.057747115133,3848),1)
  50. atomlocation(10,l(2387,572,1600,0.375,0.32794780877,-1.5195534184,6.2748965301,3848),1)
  51. atomlocation(9,l(1479,2137,209,0.375,1.5076938483,-3.2253127848,5.4413401027,3848),1)
  52. atomlocation(8,l(2319,1022,279,0.7,5.0437759447,1.5626099966,0.14961552833,3596),1)
  53. atomlocation(7,l(4384,-258,-2408,0.7,1.57079633,32.98672287,0,269),1)
  54. atomlocation(6,l(1672,-258,-3974,0.7,4.712387211,25.656144907,0,269),1)
  55. atomlocation(5,l(-2866,-258,734,0.691,0,-3.14159265,0,1290),1)
  56. atomlocation(4,l(-1058,-258,734,0.7,0,62.831855737,0,1290),1)
  57. atomlocation(3,l(-148,-258,-842,0.7,0,-3.14159265,0,1290),1)
  58. atomlocation(2,l(1672,-258,-842,0.7,0,62.831867773,0,1290),1)
  59. atomlocation(1,l(2576,-258,-2408,0.691,6.2832,6.2832,6.2832,1290),1)
  60. commandactive("Files")
  61. viewshown("Top")
  62. grid(8)
  63. atom_count(21)
  64. valencelist(18,1,5)
  65. valencelist(8,1,5)
  66. valencelist(5,1,4)
  67. valencelist(4,1,4)
  68. valencelist(3,1,4)
  69. valencelist(2,1,4)
  70. valencelist(1,1,4)
  71.