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Text File  |  1992-08-16  |  2KB  |  39 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",12)))
  4. chemical(a(1,"C",o("sp3^",1,"σ",3)))
  5. chemical(a(1,"C",o("sp3`",1,"σ",4)))
  6. atomlocation(2,l(-1252,-173,2623,0.7,1,1,1,-21141),1)
  7. chemical(a(2,"C",o("sp3~",1,"σ",3)))
  8. chemical(a(2,"C",o("sp3'",1,"σ",6)))
  9. chemical(a(2,"C",o("sp3^",1,"σ",11)))
  10. chemical(a(2,"C",o("sp3`",1,"σ",5)))
  11. atomlocation(3,l(-1451,-572,858,0.7,1,1,1,-21141),1)
  12. chemical(a(3,"C",o("sp3~",1,"σ",1)))
  13. chemical(a(3,"C",o("sp3'",1,"σ",2)))
  14. chemical(a(3,"C",o("sp3^",1,"σ",10)))
  15. chemical(a(3,"C",o("sp3`",1,"σ",8)))
  16. atomlocation(4,l(1486,-570,858,0.7,1,1,1,-21141),1)
  17. chemical(a(4,"C",o("sp3~",1,"σ",1)))
  18. chemical(a(4,"C",o("sp3'",1,"σ",13)))
  19. chemical(a(4,"C",o("sp3^",1,"σ",9)))
  20. chemical(a(4,"C",o("sp3`",1,"σ",7)))
  21. atomlocation(5,l(-2507,-145,3237,0.375,1,1,1,-1),1)
  22. chemical(a(5,"H",o("1s",1,"σ",2)))
  23. atomlocation(6,l(-628,1044,2782,0.375,1,1,1,-1),1)
  24. chemical(a(6,"H",o("1s",1,"σ",2)))
  25. atomlocation(7,l(1768,-1930,715,0.375,1,1,1,-1),1)
  26. chemical(a(7,"H",o("1s",1,"σ",4)))
  27. atomlocation(8,l(-2502,161,326,0.375,1,1,1,-1),1)
  28. chemical(a(8,"H",o("1s",1,"σ",3)))
  29. atomlocation(9,l(2538,168,326,0.375,1,1,1,-1),1)
  30. chemical(a(9,"H",o("1s",1,"σ",4)))
  31. atomlocation(10,l(-1731,-1930,715,0.375,1,1,1,-1),1)
  32. chemical(a(10,"H",o("1s",1,"σ",3)))
  33. atomlocation(11,l(-466,-1165,3214,0.375,1,1,1,-1),1)
  34. chemical(a(11,"H",o("1s",1,"σ",2)))
  35. atomlocation(12,l(0,1398,0,0.375,1,1,1,-1),1)
  36. chemical(a(12,"H",o("1s",1,"σ",1)))
  37. atomlocation(13,l(1334,-262,2214,0.375,1,1,1,-1),1)
  38. chemical(a(13,"H",o("1s",1,"σ",4)))
  39.