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CHEMICAL molecule Data  |  1987-09-12  |  2.4 KB  |  63 lines
  1. chemical_name("Adenine   DNA Base")
  2. chemical(a(15,"H",o("1s",1,"σ",7)))
  3. chemical(a(7,"N",o("sp2'",1,"σ",15)))
  4. chemical(a(14,"H",o("1s",1,"σ",5)))
  5. chemical(a(5,"C",o("sp2'",1,"σ",14)))
  6. chemical(a(13,"H",o("1s",1,"σ",11)))
  7. chemical(a(11,"N",o("sp2'",1,"σ",13)))
  8. chemical(a(12,"H",o("1s",1,"σ",11)))
  9. chemical(a(11,"N",o("sp2`",1,"σ",12)))
  10. chemical(a(11,"N",o("sp2^",1,"σ",3)))
  11. chemical(a(3,"C",o("sp2`",1,"σ",11)))
  12. chemical(a(6,"N",o("sp2`",1,"σ",1)))
  13. chemical(a(1,"C",o("sp2'",1,"σ",6)))
  14. chemical(a(10,"H",o("1s",1,"σ",9)))
  15. chemical(a(9,"C",o("sp2`",1,"σ",10)))
  16. chemical(a(7,"N",o("sp2`",1,"σ",9)))
  17. chemical(a(9,"C",o("sp2'",1,"σ",7)))
  18. chemical(a(9,"C",o("sp2^",1,"σ",8)))
  19. chemical(a(8,"N",o("sp2'",1,"σ",9)))
  20. chemical(a(8,"N",o("sp2^",1,"σ",2)))
  21. chemical(a(2,"C",o("sp2'",1,"σ",8)))
  22. chemical(a(7,"N",o("sp2^",1,"σ",1)))
  23. chemical(a(1,"C",o("sp2`",1,"σ",7)))
  24. chemical(a(6,"N",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,"N",o("sp2`",1,"σ",5)))
  28. chemical(a(4,"N",o("sp2^",1,"σ",3)))
  29. chemical(a(3,"C",o("sp2'",1,"σ",4)))
  30. chemical(a(3,"C",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,"C",o("sp2^",1,"σ",2)))
  34. atomlocation(1,l(-1202,0,1023,0.691,0,0,0,4),1)
  35. atomlocation(2,l(-303,0,-534,0.691,0,62.83185308,0,4),1)
  36. atomlocation(3,l(1494,0,-534,0.691,0,62.831855831,3.141590871,4),1)
  37. atomlocation(4,l(2417,0,1066,0.73,3.14159265,63.879050636,3.141590871,5),1)
  38. atomlocation(5,l(1494,0,2665,0.691,3.14159265,62.831855846,3.141590871,4),1)
  39. atomlocation(6,l(-354,0,2665,0.73,3.14159265,62.831858597,0,5),1)
  40. atomlocation(7,l(-3075,0,576,0.73,3.14159265,62.831853177,0,5),1)
  41. atomlocation(8,l(-1573,0,-1932,0.73,3.14159265,61.784655524,0,5),1)
  42. atomlocation(9,l(-3466,0,-1213,0.691,0,62.831850426,0,4),1)
  43. atomlocation(10,l(-4712,0,-1771,0.375,0,-5.2359876564,0,1),1)
  44. atomlocation(11,l(2417,0,-2135,0.73,0,62.83185308,0,5),1)
  45. atomlocation(12,l(7054,0,-2135,0.375,0,-5.2359850026,0,1),1)
  46. atomlocation(13,l(1700,0,-3378,0.375,0,-3.14159265,0,1),1)
  47. atomlocation(14,l(2186,0,3867,0.375,0,0,0,1),1)
  48. atomlocation(15,l(-4072,0,1777,0.375,0,-3.14159265,0,1),1)
  49. commandactive("Files")
  50. viewshown("Top")
  51. grid(0)
  52. atom_count(16)
  53. valencelist(11,1,5)
  54. valencelist(9,1,4)
  55. valencelist(8,1,5)
  56. valencelist(7,1,5)
  57. valencelist(6,1,5)
  58. valencelist(5,1,4)
  59. valencelist(4,1,5)
  60. valencelist(3,1,4)
  61. valencelist(2,1,4)
  62. valencelist(1,1,4)
  63.