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Text File  |  1994-12-06  |  2.5 KB  |  60 lines
  1. atomlocation(1,l(0,0,0,0.7,1,1,1,-21141),1)
  2. chemical(a(1,"C",o("sp3~",1,"no",0)))
  3. chemical(a(1,"C",o("sp3'",1,"σ",8)))
  4. chemical(a(1,"C",o("sp3^",1,"σ",3)))
  5. chemical(a(1,"C",o("sp3`",1,"σ",7)))
  6. atomlocation(2,l(-2751,374,166,0.7,1,1,1,-21141),1)
  7. chemical(a(2,"C",o("sp3~",1,"σ",3)))
  8. chemical(a(2,"C",o("sp3'",1,"σ",5)))
  9. chemical(a(2,"C",o("sp3^",1,"σ",4)))
  10. chemical(a(2,"C",o("sp3`",1,"σ",16)))
  11. atomlocation(3,l(-1382,-502,858,0.7,1,1,1,-21141),1)
  12. chemical(a(3,"C",o("sp3~",1,"σ",1)))
  13. chemical(a(3,"C",o("sp3'",1,"σ",9)))
  14. chemical(a(3,"C",o("sp3^",1,"σ",6)))
  15. chemical(a(3,"C",o("sp3`",1,"σ",2)))
  16. atomlocation(4,l(-2641,1745,416,0.375,1,1,1,-1),1)
  17. chemical(a(4,"H",o("1s",1,"σ",2)))
  18. atomlocation(5,l(-2780,153,-1116,0.375,1,1,1,-1),1)
  19. chemical(a(5,"H",o("1s",1,"σ",2)))
  20. atomlocation(6,l(-1662,-1863,715,0.375,1,1,1,-1),1)
  21. chemical(a(6,"H",o("1s",1,"σ",3)))
  22. atomlocation(7,l(1141,-377,659,0.375,1,1,1,-1),1)
  23. chemical(a(7,"H",o("1s",1,"σ",1)))
  24. atomlocation(8,l(0,1398,0,0.375,1,1,1,-1),1)
  25. chemical(a(8,"H",o("1s",1,"σ",1)))
  26. atomlocation(9,l(-1228,-195,2214,0.375,1,1,1,-1),1)
  27. chemical(a(9,"H",o("1s",1,"σ",3)))
  28. atomlocation(10,l(-7369,-171,1071,0.7,1,1,1,-1024),1)
  29. chemical(a(10,"N",o("sp3~",1,"σ",15)))
  30. chemical(a(10,"N",o("sp3^",1,"σ",13)))
  31. chemical(a(10,"N",o("sp3`",1,"σ",14)))
  32. chemical(a(10,"N",o("sp3'",1,"σ",17)))
  33. atomlocation(11,l(-7104,2821,-526,0.375,1,1,1,-1),1)
  34. chemical(a(11,"H",o("1s",1,"σ",18)))
  35. atomlocation(12,l(-4766,2614,-1116,0.375,1,1,1,-1),1)
  36. chemical(a(12,"H",o("1s",1,"σ",18)))
  37. atomlocation(13,l(-7594,3,2436,0.375,1,1,1,-1),1)
  38. chemical(a(13,"H",o("1s",1,"σ",10)))
  39. atomlocation(14,l(-8404,385,337,0.375,1,1,1,-1),1)
  40. chemical(a(14,"H",o("1s",1,"σ",10)))
  41. atomlocation(15,l(-7317,-1540,803,0.375,1,1,1,-1),1)
  42. chemical(a(15,"H",o("1s",1,"σ",10)))
  43. atomlocation(16,l(-4281,-219,915,0.7,1,1,1,-1024),1)
  44. chemical(a(16,"N",o("sp2^",1,"σ",2)))
  45. chemical(a(16,"N",o("sp2`",1,"σ",19)))
  46. chemical(a(16,"N",o("sp2'",1,"σ",17)))
  47. chemical(a(16,"N",o("2p(z)",2,"no",0)))
  48. atomlocation(17,l(-5841,541,419,0.7,1,1,1,-21141),1)
  49. chemical(a(17,"C",o("sp2^",1,"σ",18)))
  50. chemical(a(17,"C",o("2p(x)",1,"no",0)))
  51. chemical(a(17,"C",o("sp2`",1,"σ",10)))
  52. chemical(a(17,"C",o("sp2'",1,"σ",16)))
  53. atomlocation(18,l(-5913,2094,-507,0.7,1,1,1,-1024),1)
  54. chemical(a(18,"N",o("sp2^",1,"σ",17)))
  55. chemical(a(18,"N",o("sp2`",1,"σ",12)))
  56. chemical(a(18,"N",o("sp2'",1,"σ",11)))
  57. chemical(a(18,"N",o("2p(z)",2,"no",0)))
  58. atomlocation(19,l(-4283,-1222,1885,0.375,1,1,1,-1),1)
  59. chemical(a(19,"H",o("1s",1,"σ",16)))
  60.