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Text File  |  1994-12-06  |  2.8 KB  |  67 lines
  1. atomlocation(1,l(-823,2413,-1896,0.7,1,1,1,-21141),1)
  2. chemical(a(1,"C",o("sp3~",1,"σ",10)))
  3. chemical(a(1,"C",o("sp3'",1,"σ",17)))
  4. chemical(a(1,"C",o("sp3^",1,"σ",18)))
  5. chemical(a(1,"C",o("sp3`",1,"no",0)))
  6. atomlocation(2,l(-821,-1469,-2411,0.7,1,1,1,-21141),1)
  7. chemical(a(2,"C",o("sp2^",1,"σ",11)))
  8. chemical(a(2,"C",o("2p(x)",1,"σ",4)))
  9. chemical(a(2,"C",o("sp2`",1,"σ",4)))
  10. chemical(a(2,"C",o("sp2'",1,"σ",7)))
  11. atomlocation(3,l(-817,-4199,-895,0.7,1,1,1,-21141),1)
  12. chemical(a(3,"C",o("sp2^",1,"σ",13)))
  13. chemical(a(3,"C",o("2p(x)",1,"σ",5)))
  14. chemical(a(3,"C",o("sp2`",1,"σ",5)))
  15. chemical(a(3,"C",o("sp2'",1,"σ",4)))
  16. atomlocation(4,l(-813,-3300,-2411,0.7,1,1,1,-21141),1)
  17. chemical(a(4,"C",o("sp2^",1,"σ",12)))
  18. chemical(a(4,"C",o("2p(x)",1,"σ",2)))
  19. chemical(a(4,"C",o("sp2`",1,"σ",3)))
  20. chemical(a(4,"C",o("sp2'",1,"σ",2)))
  21. atomlocation(5,l(-812,-3296,675,0.7,1,1,1,-21141),1)
  22. chemical(a(5,"C",o("sp2^",1,"σ",14)))
  23. chemical(a(5,"C",o("2p(x)",1,"σ",3)))
  24. chemical(a(5,"C",o("sp2`",1,"σ",6)))
  25. chemical(a(5,"C",o("sp2'",1,"σ",3)))
  26. atomlocation(6,l(-817,-1473,675,0.7,1,1,1,-21141),1)
  27. chemical(a(6,"C",o("sp2^",1,"σ",8)))
  28. chemical(a(6,"C",o("2p(x)",1,"σ",7)))
  29. chemical(a(6,"C",o("sp2`",1,"σ",7)))
  30. chemical(a(6,"C",o("sp2'",1,"σ",5)))
  31. atomlocation(7,l(-821,-563,-895,0.7,1,1,1,-21141),1)
  32. chemical(a(7,"C",o("sp2^",1,"σ",10)))
  33. chemical(a(7,"C",o("2p(x)",1,"σ",6)))
  34. chemical(a(7,"C",o("sp2`",1,"σ",2)))
  35. chemical(a(7,"C",o("sp2'",1,"σ",6)))
  36. atomlocation(8,l(-818,-199,1977,0.7,1,1,1,-1024),1)
  37. chemical(a(8,"N",o("sp2_5^",1,"σ",15)))
  38. chemical(a(8,"N",o("sp2_5`",1,"σ",9)))
  39. chemical(a(8,"N",o("sp2_5'",1,"σ",6)))
  40. chemical(a(8,"N",o("2p(z)",2,"no",0)))
  41. atomlocation(9,l(-823,1373,1170,0.7,1,1,1,-21141),1)
  42. chemical(a(9,"C",o("sp2_5^",1,"σ",16)))
  43. chemical(a(9,"C",o("2p(x)",1,"σ",10)))
  44. chemical(a(9,"C",o("sp2_5`",1,"σ",10)))
  45. chemical(a(9,"C",o("sp2_5'",1,"σ",8)))
  46. atomlocation(10,l(-823,1109,-626,0.7,1,1,1,-21141),1)
  47. chemical(a(10,"C",o("sp2_5^",1,"σ",1)))
  48. chemical(a(10,"C",o("2p(x)",1,"σ",9)))
  49. chemical(a(10,"C",o("sp2_5`",1,"σ",7)))
  50. chemical(a(10,"C",o("sp2_5'",1,"σ",9)))
  51. atomlocation(11,l(-823,-771,-3620,0.375,1,1,1,-1),1)
  52. chemical(a(11,"H",o("1s",1,"σ",2)))
  53. atomlocation(12,l(-817,-3995,-3620,0.375,1,1,1,-1),1)
  54. chemical(a(12,"H",o("1s",1,"σ",4)))
  55. atomlocation(13,l(-817,-5597,-895,0.375,1,1,1,-1),1)
  56. chemical(a(13,"H",o("1s",1,"σ",3)))
  57. atomlocation(14,l(-817,-3991,1885,0.375,1,1,1,-1),1)
  58. chemical(a(14,"H",o("1s",1,"σ",5)))
  59. atomlocation(15,l(-821,-435,3355,0.375,1,1,1,-1),1)
  60. chemical(a(15,"H",o("1s",1,"σ",8)))
  61. atomlocation(16,l(-823,2614,1819,0.375,1,1,1,-1),1)
  62. chemical(a(16,"H",o("1s",1,"σ",9)))
  63. atomlocation(17,l(-827,1825,-3144,0.375,1,1,1,-1),1)
  64. chemical(a(17,"H",o("1s",1,"σ",1)))
  65. atomlocation(18,l(311,3205,-1750,0.375,1,1,1,-1),1)
  66. chemical(a(18,"H",o("1s",1,"σ",1)))
  67.