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CHEMICAL molecule Data  |  1988-10-09  |  3.1 KB  |  76 lines
  1. chemical_name("Glucose")
  2. chemical(a(24,"H ",o("1s",1,"σ",23)))
  3. chemical(a(23,"O ",o("sp`",1,"σ",24)))
  4. chemical(a(22,"H ",o("1s",1,"σ",1)))
  5. chemical(a(1,"C ",o("sp3`",1,"σ",22)))
  6. chemical(a(23,"O ",o("sp'",1,"σ",1)))
  7. chemical(a(1,"C ",o("sp3'",1,"σ",23)))
  8. chemical(a(21,"H ",o("1s",1,"σ",20)))
  9. chemical(a(20,"O ",o("sp'",1,"σ",21)))
  10. chemical(a(20,"O ",o("sp`",1,"σ",2)))
  11. chemical(a(2,"C ",o("sp3~",1,"σ",20)))
  12. chemical(a(19,"H ",o("1s",1,"σ",2)))
  13. chemical(a(2,"C ",o("sp3^",1,"σ",19)))
  14. chemical(a(18,"H ",o("1s",1,"σ",3)))
  15. chemical(a(3,"C ",o("sp3~",1,"σ",18)))
  16. chemical(a(17,"H ",o("1s",1,"σ",16)))
  17. chemical(a(16,"O ",o("sp`",1,"σ",17)))
  18. chemical(a(16,"O ",o("sp'",1,"σ",3)))
  19. chemical(a(3,"C ",o("sp3`",1,"σ",16)))
  20. chemical(a(15,"H ",o("1s",1,"σ",14)))
  21. chemical(a(14,"O ",o("sp'",1,"σ",15)))
  22. chemical(a(14,"O ",o("sp`",1,"σ",4)))
  23. chemical(a(4,"C ",o("sp3'",1,"σ",14)))
  24. chemical(a(13,"H ",o("1s",1,"σ",4)))
  25. chemical(a(4,"C ",o("sp3~",1,"σ",13)))
  26. chemical(a(12,"H ",o("1s",1,"σ",11)))
  27. chemical(a(11,"O ",o("sp'",1,"σ",12)))
  28. chemical(a(11,"O ",o("sp`",1,"σ",8)))
  29. chemical(a(8,"C ",o("sp3'",1,"σ",11)))
  30. chemical(a(10,"H ",o("1s",1,"σ",8)))
  31. chemical(a(8,"C ",o("sp3^",1,"σ",10)))
  32. chemical(a(9,"H ",o("1s",1,"σ",8)))
  33. chemical(a(8,"C ",o("sp3~",1,"σ",9)))
  34. chemical(a(8,"C ",o("sp3`",1,"σ",5)))
  35. chemical(a(5,"C ",o("sp3'",1,"σ",8)))
  36. chemical(a(7,"H ",o("1s",1,"σ",5)))
  37. chemical(a(5,"C ",o("sp3~",1,"σ",7)))
  38. chemical(a(6,"O ",o("sp3'",1,"σ",5)))
  39. chemical(a(5,"C ",o("sp3`",1,"σ",6)))
  40. chemical(a(5,"C ",o("sp3^",1,"σ",4)))
  41. chemical(a(4,"C ",o("sp3`",1,"σ",5)))
  42. chemical(a(4,"C ",o("sp3^",1,"σ",3)))
  43. chemical(a(3,"C ",o("sp3'",1,"σ",4)))
  44. chemical(a(3,"C ",o("sp3^",1,"σ",2)))
  45. chemical(a(2,"C ",o("sp3`",1,"σ",3)))
  46. chemical(a(2,"C ",o("sp3'",1,"σ",1)))
  47. chemical(a(1,"C ",o("sp3^",1,"σ",2)))
  48. atomlocation(1,l(1865,-17,1441,0.772,0,0,0,1290),1)
  49. atomlocation(2,l(234,-686,2400,0.772,0,0,0,1290),1)
  50. atomlocation(3,l(-1350,194,1535,0.772,0,0,0,1290),1)
  51. atomlocation(4,l(-1366,-87,-452,0.772,0,0,0,1290),1)
  52. atomlocation(5,l(272,753,-1253,0.772,0,0,0,1290),1)
  53. atomlocation(6,l(1808,-133,-533,0.7,0,0,0,269),1)
  54. atomlocation(7,l(308,2195,-874,0.375,0,0,0,3848),1)
  55. atomlocation(8,l(280,586,-3253,0.772,0,0,0,1290),1)
  56. atomlocation(9,l(1499,1247,-3800,0.375,0,0,0,3848),1)
  57. atomlocation(10,l(-939,1242,-3806,0.375,0,0,0,3848),1)
  58. atomlocation(11,l(284,-1114,-3700,0.58,0,0,0,269),1)
  59. atomlocation(12,l(287,-2315,-4015,0.375,0,0,0,3848),1)
  60. atomlocation(13,l(-2583,542,-1040,0.375,0,0,0,3848),1)
  61. atomlocation(14,l(-1371,-1810,-800,0.58,0,0,0,269),1)
  62. atomlocation(15,l(-1374,-3027,-1046,0.375,0,0,0,3848),1)
  63. atomlocation(16,l(-1285,1916,1883,0.58,0,0,0,269),1)
  64. atomlocation(17,l(-1239,3133,2125,0.375,0,0,0,3848),1)
  65. atomlocation(18,l(-2589,-385,2129,0.375,0,0,0,3848),1)
  66. atomlocation(19,l(235,-373,3858,0.375,0,0,0,3848),1)
  67. atomlocation(20,l(136,-2425,2166,0.58,0,0,0,269),1)
  68. atomlocation(21,l(66,-3655,2014,0.375,0,0,0,3848),1)
  69. atomlocation(22,l(3085,-514,2139,0.375,0,0,0,3848),1)
  70. atomlocation(23,l(1865,1741,1441,0.58,0,0,0,269),1)
  71. atomlocation(24,l(1865,2982,1441,0.375,0,0,0,3848),1)
  72. commandactive("Files")
  73. viewshown("Top")
  74. grid(8)
  75. atom_count(25)
  76.