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Text File  |  1987-09-07  |  4KB  |  83 lines
  1. chemical_name("Glucose")
  2. chemical(a(23,"H",o("1s",1,"σ",21)))
  3. chemical(a(21,"O",o("3p(z)",1,"σ",23)))
  4. chemical(a(22,"H",o("1s",1,"σ",5)))
  5. chemical(a(5,"C",o("sp3_6'",1,"σ",22)))
  6. chemical(a(21,"O",o("3p(y)",1,"σ",5)))
  7. chemical(a(5,"C",o("sp3_6`",1,"σ",21)))
  8. chemical(a(20,"H",o("1s",1,"σ",4)))
  9. chemical(a(4,"C",o("sp3_6'",1,"σ",20)))
  10. chemical(a(19,"H",o("1s",1,"σ",18)))
  11. chemical(a(18,"O",o("3p(z)",1,"σ",19)))
  12. chemical(a(18,"O",o("3p(y)",1,"σ",4)))
  13. chemical(a(4,"C",o("sp3_6`",1,"σ",18)))
  14. chemical(a(17,"H",o("1s",1,"σ",3)))
  15. chemical(a(3,"C",o("sp3_6`",1,"σ",17)))
  16. chemical(a(16,"H",o("1s",1,"σ",15)))
  17. chemical(a(15,"O",o("3p(z)",1,"σ",16)))
  18. chemical(a(15,"O",o("3p(y)",1,"σ",3)))
  19. chemical(a(3,"C",o("sp3_6'",1,"σ",15)))
  20. chemical(a(14,"H",o("1s",1,"σ",2)))
  21. chemical(a(2,"C",o("sp3_6'",1,"σ",14)))
  22. chemical(a(13,"H",o("1s",1,"σ",12)))
  23. chemical(a(12,"O",o("3p(z)",1,"σ",13)))
  24. chemical(a(12,"O",o("3p(y)",1,"σ",2)))
  25. chemical(a(2,"C",o("sp3_6`",1,"σ",12)))
  26. chemical(a(11,"H",o("1s",1,"σ",10)))
  27. chemical(a(10,"O",o("3p(z)",1,"σ",11)))
  28. chemical(a(10,"O",o("3p(y)",1,"σ",1)))
  29. chemical(a(1,"C",o("sp3_6'",1,"σ",10)))
  30. chemical(a(9,"H",o("1s",1,"σ",7)))
  31. chemical(a(7,"C",o("sp2'",1,"σ",9)))
  32. chemical(a(8,"H",o("1s",1,"σ",7)))
  33. chemical(a(7,"C",o("sp2`",1,"σ",8)))
  34. chemical(a(7,"C",o("sp2^",1,"σ",1)))
  35. chemical(a(1,"C",o("sp3_6`",1,"σ",7)))
  36. chemical(a(1,"C",o("sp3_6~",1,"σ",6)))
  37. chemical(a(6,"O",o("sp_6'",1,"σ",1)))
  38. chemical(a(6,"O",o("sp_6`",1,"σ",5)))
  39. chemical(a(5,"C",o("sp3_6^",1,"σ",6)))
  40. chemical(a(5,"C",o("sp3_6~",1,"σ",4)))
  41. chemical(a(4,"C",o("sp3_6^",1,"σ",5)))
  42. chemical(a(4,"C",o("sp3_6~",1,"σ",3)))
  43. chemical(a(3,"C",o("sp3_6^",1,"σ",4)))
  44. chemical(a(3,"C",o("sp3_6~",1,"σ",2)))
  45. chemical(a(2,"C",o("sp3_6^",1,"σ",3)))
  46. chemical(a(2,"C",o("sp3_6~",1,"σ",1)))
  47. chemical(a(1,"C",o("sp3_6^",1,"σ",2)))
  48. atomlocation(23,l(4308,-289,-100,0.375,4.7126802986,-0.00029627703871,0.79050181581,1),1)
  49. atomlocation(22,l(3025,980,-100,0.375,4.7125988656,-0.00020938844083,0.77979062252,1),1)
  50. atomlocation(21,l(3325,-1283,-100,0.7,3.1413792164,32.986513482,0.79058465564,6),1)
  51. atomlocation(20,l(1618,980,2337,0.375,5.4315177613,-1.0474046928,0.18645657885,1),1)
  52. atomlocation(19,l(2242,-335,3508,0.375,5.4775895332,-1.091054876,0.1615325674,1),1)
  53. atomlocation(18,l(1768,-1283,2597,0.7,2.4224603207,31.939318177,0.055337908114,6),1)
  54. atomlocation(17,l(-1196,-986,2336,0.375,0.85178457674,-2.0946093785,0.1865817714,1),1)
  55. atomlocation(16,l(-872,2225,1685,0.375,0.80563416336,-5.1924835239,0.16161072735,1),1)
  56. atomlocation(15,l(-1346,1277,2596,0.7,0.71900997426,30.892113492,0.055445921977,6),1)
  57. atomlocation(14,l(-2603,980,-100,0.375,1.5705819895,-3.1418046856,5.5033955518,1),1)
  58. atomlocation(13,l(-1920,-2277,-100,0.375,1.5704977246,-0.00030004522315,5.4926872614,1),1)
  59. atomlocation(12,l(-2903,-1283,-100,0.7,3.1418052215,26.703325524,5.4926015603,6),1)
  60. atomlocation(11,l(-872,-2231,-1886,0.375,0.80558714976,-1.0910523866,6.1216522557,1),1)
  61. atomlocation(10,l(-1346,-1283,-2797,0.7,3.8607222002,25.656130214,6.2278534487,6),1)
  62. atomlocation(9,l(-2702,1526,-2860,0.375,1.3001515475,-3.1939570895,6.1469395351,1),1)
  63. atomlocation(8,l(-454,2028,-3534,0.375,0.79455605111,-5.5853552283,0.1676384396,1),1)
  64. atomlocation(7,l(-1342,1269,-2789,0.691,0.85166501079,62.779486862,6.0967277405,4),1)
  65. atomlocation(6,l(1121,-3,-1676,0.7,3.141590881,63.041243692,0,6),1)
  66. atomlocation(5,l(2031,-3,-100,0.7,0,-5.2359900028,0,4),1)
  67. atomlocation(4,l(1121,-3,1476,0.7,0,0,0,4),1)
  68. atomlocation(3,l(-699,-3,1476,0.7,0,-1.0472046892,0,4),1)
  69. atomlocation(2,l(-1609,-3,-100,0.7,0,-2.0943999964,0,4),1)
  70. atomlocation(1,l(-699,-3,-1676,0.7,0,0,0,4),1)
  71. commandactive("Files")
  72. viewshown("Top")
  73. grid(8)
  74. atom_count(24)
  75. valencelist(7,1,4)
  76. valencelist(6,2,-6)
  77. valencelist(6,2,-6)
  78. valencelist(5,1,4)
  79. valencelist(4,1,4)
  80. valencelist(3,1,4)
  81. valencelist(2,1,4)
  82. valencelist(1,1,4)
  83.