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Text File  |  1987-09-07  |  2KB  |  56 lines
  1. chemical_name("Niacin  (Vitamin)")
  2. chemical(a(14,"H",o("1s",1,"σ",5)))
  3. chemical(a(5,"C",o("sp2^",1,"σ",14)))
  4. chemical(a(13,"H",o("1s",1,"σ",4)))
  5. chemical(a(4,"C",o("sp2^",1,"σ",13)))
  6. chemical(a(12,"H",o("1s",1,"σ",3)))
  7. chemical(a(3,"C",o("sp2^",1,"σ",12)))
  8. chemical(a(11,"H",o("1s",1,"σ",1)))
  9. chemical(a(1,"C",o("sp2`",1,"σ",11)))
  10. chemical(a(10,"H",o("1s",1,"σ",9)))
  11. chemical(a(9,"O",o("sp`",1,"σ",10)))
  12. chemical(a(9,"O",o("sp'",1,"σ",7)))
  13. chemical(a(7,"C",o("sp2^",1,"σ",9)))
  14. chemical(a(8,"O",o("3p(y)",1,"σ",7)))
  15. chemical(a(7,"C",o("sp2`",1,"σ",8)))
  16. chemical(a(7,"C",o("sp2'",1,"σ",2)))
  17. chemical(a(2,"C",o("sp2^",1,"σ",7)))
  18. chemical(a(1,"C",o("sp2^",1,"σ",6)))
  19. chemical(a(6,"N",o("sp2`",1,"σ",1)))
  20. chemical(a(6,"N",o("sp2'",1,"σ",5)))
  21. chemical(a(5,"C",o("sp2`",1,"σ",6)))
  22. chemical(a(5,"C",o("sp2'",1,"σ",4)))
  23. chemical(a(4,"C",o("sp2`",1,"σ",5)))
  24. chemical(a(4,"C",o("sp2'",1,"σ",3)))
  25. chemical(a(3,"C",o("sp2`",1,"σ",4)))
  26. chemical(a(3,"C",o("sp2'",1,"σ",2)))
  27. chemical(a(2,"C",o("sp2`",1,"σ",3)))
  28. chemical(a(2,"C",o("sp2'",1,"σ",1)))
  29. chemical(a(1,"C",o("sp2'",1,"σ",2)))
  30. atomlocation(1,l(-1472,0,539,0.691,0,0,0,4),1)
  31. atomlocation(2,l(325,0,539,0.691,0,0,0,4),1)
  32. atomlocation(3,l(1223,0,-1017,0.691,0,1.0472003004,0,4),1)
  33. atomlocation(4,l(325,0,-2573,0.691,0,2.0944006008,0,4),1)
  34. atomlocation(5,l(-1472,0,-2573,0.691,0,3.141590871,0,4),1)
  35. atomlocation(6,l(-2396,0,-973,0.73,0,4.1887911778,0,5),1)
  36. atomlocation(7,l(1223,0,2095,0.691,0,5.235988625,0,4),1)
  37. atomlocation(8,l(3090,0,2095,0.745,0,1.57079633,4.712387201,6),1)
  38. atomlocation(9,l(290,0,3712,0.745,0,4.1887937218,0,6),1)
  39. atomlocation(10,l(-438,0,4973,0.375,0,4.1887963786,0,1),1)
  40. atomlocation(11,l(-2165,0,1739,0.375,0,4.1887903068,0,1),1)
  41. atomlocation(12,l(2609,0,-1017,0.375,0,0,0,1),1)
  42. atomlocation(13,l(1018,0,-3773,0.375,0,1.0472056912,0,1),1)
  43. atomlocation(14,l(-2165,0,-3773,0.375,0,2.0943959614,0,1),1)
  44. commandactive("Files")
  45. viewshown("Top")
  46. grid(8)
  47. atom_count(15)
  48. valencelist(9,2,-6)
  49. valencelist(7,1,4)
  50. valencelist(6,1,5)
  51. valencelist(5,1,4)
  52. valencelist(4,1,4)
  53. valencelist(3,1,4)
  54. valencelist(2,1,4)
  55. valencelist(1,1,4)
  56.