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CHEMICAL molecule Data  |  1988-10-09  |  2.1 KB  |  53 lines
  1. chemical_name("Urate")
  2. chemical(a(15,"O ",o("2p(y)",1,"σ",6)))
  3. chemical(a(6,"C ",o("sp2^",1,"σ",15)))
  4. chemical(a(14,"O ",o("2p(y)",1,"σ",2)))
  5. chemical(a(2,"C ",o("sp2^",1,"σ",14)))
  6. chemical(a(13,"H ",o("1s",1,"σ",3)))
  7. chemical(a(3,"N ",o("sp2^",1,"σ",13)))
  8. chemical(a(12,"H ",o("1s",1,"σ",1)))
  9. chemical(a(1,"N ",o("sp2^",1,"σ",12)))
  10. chemical(a(11,"O ",o("2p(y)",1,"σ",8)))
  11. chemical(a(8,"C ",o("sp2_5^",1,"σ",11)))
  12. chemical(a(10,"H ",o("1s",1,"σ",7)))
  13. chemical(a(7,"N ",o("sp2_5^",1,"σ",10)))
  14. chemical(a(9,"N ",o("sp2_5`",1,"σ",5)))
  15. chemical(a(5,"C ",o("sp2^",1,"σ",9)))
  16. chemical(a(9,"N ",o("sp2_5'",1,"σ",8)))
  17. chemical(a(8,"C ",o("sp2_5`",1,"σ",9)))
  18. chemical(a(8,"C ",o("sp2_5'",1,"σ",7)))
  19. chemical(a(7,"N ",o("sp2_5`",1,"σ",8)))
  20. chemical(a(7,"N ",o("sp2_5'",1,"σ",4)))
  21. chemical(a(4,"C ",o("sp2^",1,"σ",7)))
  22. chemical(a(6,"C ",o("sp2`",1,"σ",1)))
  23. chemical(a(1,"N ",o("sp2'",1,"σ",6)))
  24. chemical(a(6,"C ",o("sp2'",1,"σ",5)))
  25. chemical(a(5,"C ",o("sp2`",1,"σ",6)))
  26. chemical(a(5,"C ",o("sp2'",1,"σ",4)))
  27. chemical(a(4,"C ",o("sp2`",1,"σ",5)))
  28. chemical(a(4,"C ",o("sp2'",1,"σ",3)))
  29. chemical(a(3,"N ",o("sp2`",1,"σ",4)))
  30. chemical(a(3,"N ",o("sp2'",1,"σ",2)))
  31. chemical(a(2,"C ",o("sp2`",1,"σ",3)))
  32. chemical(a(2,"C ",o("sp2'",1,"σ",1)))
  33. chemical(a(1,"N ",o("sp2`",1,"σ",2)))
  34. atomlocation(1,l(-1744,0,-2334,0.727,0,0,0,3596),1)
  35. atomlocation(2,l(-2698,0,-682,0.74,0,0,0,1290),1)
  36. atomlocation(3,l(-1744,0,970,0.727,0,0,0,3596),1)
  37. atomlocation(4,l(163,0,970,0.74,0,0,0,1290),1)
  38. atomlocation(5,l(1125,0,-696,0.74,0,0,0,1290),1)
  39. atomlocation(6,l(163,0,-2362,0.74,0,0,0,1290),1)
  40. atomlocation(7,l(1402,0,2373,0.7,0,0,0,3596),1)
  41. atomlocation(8,l(3072,0,1649,0.7,0,0,0,1290),1)
  42. atomlocation(9,l(2899,0,-163,0.7,0,0,0,3596),1)
  43. atomlocation(10,l(1104,0,3738,0.375,0,0,0,3848),1)
  44. atomlocation(11,l(4643,0,2568,0.7,0,0,0,269),1)
  45. atomlocation(12,l(-2460,0,-3575,0.375,0,0,0,3848),1)
  46. atomlocation(13,l(-2461,0,2211,0.375,0,0,0,3848),1)
  47. atomlocation(14,l(-4570,0,-682,0.7,0,0,0,269),1)
  48. atomlocation(15,l(1099,0,-3983,0.7,0,0,0,269),1)
  49. commandactive("Files")
  50. viewshown("Top")
  51. grid(8)
  52. atom_count(16)
  53.