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CHEMICAL molecule Data  |  1994-02-04  |  3.3 KB  |  81 lines
  1. chemical_name("Fructose")
  2. chemical(a(25,"H",o("1s",1,"σ",6)))
  3. chemical(a(6,"O",o("3p(z)",1,"σ",25)))
  4. chemical(a(6,"O",o("3p(y)",1,"σ",4)))
  5. chemical(a(4,"C",o("sp3_5`",1,"σ",6)))
  6. chemical(a(24,"H",o("1s",1,"σ",23)))
  7. chemical(a(23,"O",o("3p(z)",1,"σ",24)))
  8. chemical(a(23,"O",o("3p(y)",1,"σ",1)))
  9. chemical(a(1,"C",o("sp3_5'",1,"σ",23)))
  10. chemical(a(22,"H",o("1s",1,"σ",21)))
  11. chemical(a(21,"O",o("3p(z)",1,"σ",22)))
  12. chemical(a(20,"H",o("1s",1,"σ",18)))
  13. chemical(a(18,"C",o("sp3'",1,"σ",20)))
  14. chemical(a(19,"H",o("1s",1,"σ",18)))
  15. chemical(a(18,"C",o("sp3`",1,"σ",19)))
  16. chemical(a(21,"O",o("3p(y)",1,"σ",18)))
  17. chemical(a(18,"C",o("sp3^",1,"σ",21)))
  18. chemical(a(18,"C",o("sp3~",1,"σ",1)))
  19. chemical(a(1,"C",o("sp3_5`",1,"σ",18)))
  20. chemical(a(17,"H",o("1s",1,"σ",2)))
  21. chemical(a(2,"C",o("sp3_5'",1,"σ",17)))
  22. chemical(a(16,"H",o("1s",1,"σ",15)))
  23. chemical(a(15,"O",o("3p(z)",1,"σ",16)))
  24. chemical(a(15,"O",o("3p(y)",1,"σ",2)))
  25. chemical(a(2,"C",o("sp3_5`",1,"σ",15)))
  26. chemical(a(14,"H",o("1s",1,"σ",3)))
  27. chemical(a(3,"C",o("sp3_5`",1,"σ",14)))
  28. chemical(a(13,"H",o("1s",1,"σ",12)))
  29. chemical(a(12,"O",o("3p(z)",1,"σ",13)))
  30. chemical(a(12,"O",o("3p(y)",1,"σ",3)))
  31. chemical(a(3,"C",o("sp3_5'",1,"σ",12)))
  32. chemical(a(11,"H",o("1s",1,"σ",10)))
  33. chemical(a(10,"O",o("3p(z)",1,"σ",11)))
  34. chemical(a(9,"H",o("1s",1,"σ",7)))
  35. chemical(a(7,"C",o("sp3'",1,"σ",9)))
  36. chemical(a(8,"H",o("1s",1,"σ",7)))
  37. chemical(a(7,"C",o("sp3`",1,"σ",8)))
  38. chemical(a(10,"O",o("3p(y)",1,"σ",7)))
  39. chemical(a(7,"C",o("sp3^",1,"σ",10)))
  40. chemical(a(7,"C",o("sp3~",1,"σ",4)))
  41. chemical(a(4,"C",o("sp3_5'",1,"σ",7)))
  42. chemical(a(1,"C",o("sp3_5~",1,"σ",5)))
  43. chemical(a(5,"O",o("sp_5'",1,"σ",1)))
  44. chemical(a(5,"O",o("sp_5`",1,"σ",4)))
  45. chemical(a(4,"C",o("sp3_5^",1,"σ",5)))
  46. chemical(a(4,"C",o("sp3_5~",1,"σ",3)))
  47. chemical(a(3,"C",o("sp3_5^",1,"σ",4)))
  48. chemical(a(3,"C",o("sp3_5~",1,"σ",2)))
  49. chemical(a(2,"C",o("sp3_5^",1,"σ",3)))
  50. chemical(a(2,"C",o("sp3_5~",1,"σ",1)))
  51. chemical(a(1,"C",o("sp3_5^",1,"σ",2)))
  52. atomlocation(1,l(1461,-572,660,0.7,0,0,0,1290),1)
  53. atomlocation(2,l(1082,-572,-1120,0.7,0,0,0,1290),1)
  54. atomlocation(3,l(-728,-572,-1311,0.7,0,0,0,1290),1)
  55. atomlocation(4,l(-1468,-572,352,0.7,0,0,0,1290),1)
  56. atomlocation(5,l(-116,-572,1571,0.7,0,0,0,269),1)
  57. atomlocation(6,l(-2733,-1852,626,0.7,0,0,0,269),1)
  58. atomlocation(7,l(-2724,700,625,0.691,0,0,0,1290),1)
  59. atomlocation(8,l(-2652,1664,-367,0.375,0,0,0,3848),1)
  60. atomlocation(9,l(-2531,1294,1862,0.375,0,0,0,3848),1)
  61. atomlocation(10,l(-4354,-82,580,0.7,0,0,0,269),1)
  62. atomlocation(11,l(-4993,1144,378,0.375,0,0,0,3848),1)
  63. atomlocation(12,l(-1379,708,-2429,0.7,0,0,0,269),1)
  64. atomlocation(13,l(-884,1701,-1580,0.375,0,0,0,3848),1)
  65. atomlocation(14,l(-1228,-1555,-2168,0.375,0,0,0,3848),1)
  66. atomlocation(15,l(1944,-1852,-2085,0.7,0,0,0,269),1)
  67. atomlocation(16,l(2545,-900,-2913,0.375,0,0,0,3848),1)
  68. atomlocation(17,l(1744,411,-1861,0.375,0,0,0,3848),1)
  69. atomlocation(18,l(2638,700,1178,0.691,0,0,0,1290),1)
  70. atomlocation(19,l(3649,781,234,0.375,0,0,0,3848),1)
  71. atomlocation(20,l(3170,298,2392,0.375,0,0,0,3848),1)
  72. atomlocation(21,l(1866,2325,1366,0.7,0,0,0,269),1)
  73. atomlocation(22,l(3107,2909,1097,0.375,0,0,0,3848),1)
  74. atomlocation(23,l(2646,-1852,1181,0.7,0,0,0,269),1)
  75. atomlocation(24,l(1724,-2789,704,0.375,0,0,0,3848),1)
  76. atomlocation(25,l(-1796,-899,1034,0.375,0,0,0,3848),1)
  77. commandactive("Files")
  78. viewshown("Top")
  79. grid(8)
  80. atom_count(26)
  81.