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CHEMICAL molecule Data  |  1988-06-26  |  2.5 KB  |  56 lines
  1. chemical_name("Aspartate  (Amino Acid)")
  2. chemical(a(15,"H ",o("1s",1,"σ",3)))
  3. chemical(a(3,"C ",o("sp3_6^",1,"σ",15)))
  4. chemical(a(14,"H ",o("1s",1,"σ",3)))
  5. chemical(a(3,"C ",o("sp3_6~",1,"σ",14)))
  6. chemical(a(13,"H ",o("1s",1,"σ",2)))
  7. chemical(a(2,"C ",o("sp3_6^",1,"σ",13)))
  8. chemical(a(12,"H ",o("2p(x)",1,"σ",9)))
  9. chemical(a(9,"N ",o("sp3~",1,"σ",12)))
  10. chemical(a(11,"H ",o("1s",1,"σ",9)))
  11. chemical(a(9,"N ",o("sp3'",1,"σ",11)))
  12. chemical(a(10,"H ",o("1s",1,"σ",9)))
  13. chemical(a(9,"N ",o("sp3`",1,"σ",10)))
  14. chemical(a(9,"N ",o("sp3^",1,"σ",2)))
  15. chemical(a(2,"C ",o("sp3_6~",1,"σ",9)))
  16. chemical(a(8,"O ",o("3p(y)",1,"σ",4)))
  17. chemical(a(4,"C ",o("sp2'",1,"σ",8)))
  18. chemical(a(7,"O ",o("3p(y)",1,"σ",1)))
  19. chemical(a(1,"C ",o("sp2'",1,"σ",7)))
  20. chemical(a(6,"O ",o("3p(y)",1,"σ",4)))
  21. chemical(a(4,"C ",o("sp2^",1,"σ",6)))
  22. chemical(a(5,"O ",o("3p(y)",1,"σ",1)))
  23. chemical(a(1,"C ",o("sp2^",1,"σ",5)))
  24. chemical(a(4,"C ",o("sp2`",1,"σ",3)))
  25. chemical(a(3,"C ",o("sp3_6`",1,"σ",4)))
  26. chemical(a(3,"C ",o("sp3_6'",1,"σ",2)))
  27. chemical(a(2,"C ",o("sp3_6'",1,"σ",3)))
  28. chemical(a(2,"C ",o("sp3_6`",1,"σ",1)))
  29. chemical(a(1,"C ",o("sp2`",1,"σ",2)))
  30. atomlocation(15,l(-1768,-1339,-1167,0.375,5.4315177602,-4.1889973392,0.18645658392,3848),1)
  31. atomlocation(14,l(-1768,627,-1167,0.375,0.85166577076,-4.1889973392,6.0967269471,3848),1)
  32. atomlocation(13,l(1046,-1339,554,0.375,0.85166819309,-1.0473899998,6.0967225858,3848),1)
  33. atomlocation(12,l(2541,1328,392,0.375,0.67874941877,-5.9531220827,0.057747115143,3848),1)
  34. atomlocation(11,l(1284,495,2218,0.375,0.32794780878,-1.5195534184,6.2748965301,3848),1)
  35. atomlocation(10,l(343,2117,774,0.375,1.5076938483,-3.2253127848,5.4413401027,3848),1)
  36. atomlocation(9,l(1214,961,847,0.74,5.0437759447,1.5626099966,0.14961552832,3596),1)
  37. atomlocation(8,l(-4079,-356,1315,0.7,1.57079633,29.84513022,0,269),1)
  38. atomlocation(7,l(3357,-356,-1927,0.7,1.57079633,32.98672287,0,269),1)
  39. atomlocation(6,l(-1271,-356,2936,0.7,1.57079633,31.939320834,0,269),1)
  40. atomlocation(5,l(549,-356,-3548,0.7,4.712387211,25.656144907,0,269),1)
  41. atomlocation(4,l(-2207,-356,1315,0.74,0,62.831855737,0,1290),1)
  42. atomlocation(3,l(-1271,-356,-306,0.7,0,-3.14159265,0,1290),1)
  43. atomlocation(2,l(549,-356,-306,0.7,0,62.831867773,0,1290),1)
  44. atomlocation(1,l(1485,-356,-1927,0.74,6.2832,6.2832,6.2832,1290),1)
  45. commandactive("Files")
  46. viewshown("Top")
  47. grid(8)
  48. atom_count(16)
  49. valencelist(9,1,5)
  50. valencelist(4,1,4)
  51. valencelist(3,1,4)
  52. valencelist(2,1,4)
  53. valencelist(1,1,4)
  54. valencelist(2,1,4)
  55. valencelist(1,1,4)
  56.