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Text File  |  1994-12-06  |  1.3 KB  |  34 lines
  1. atomlocation(1,l(0,0,0,0.7,1,1,1,-21141),1)
  2. chemical(a(1,"C",o("sp3~",1,"σ",6)))
  3. chemical(a(1,"C",o("sp3'",1,"σ",5)))
  4. chemical(a(1,"C",o("sp3^",1,"σ",2)))
  5. chemical(a(1,"C",o("sp3`",1,"no",0)))
  6. atomlocation(2,l(-1451,-572,858,0.7,1,1,1,-21141),1)
  7. chemical(a(2,"C",o("sp3~",1,"σ",1)))
  8. chemical(a(2,"C",o("sp3'",1,"σ",4)))
  9. chemical(a(2,"C",o("sp3^",1,"σ",3)))
  10. chemical(a(2,"C",o("sp3`",1,"σ",7)))
  11. atomlocation(3,l(-1731,-1932,715,0.375,1,1,1,-1),1)
  12. chemical(a(3,"H",o("1s",1,"σ",2)))
  13. atomlocation(4,l(-1298,-264,2214,0.375,1,1,1,-1),1)
  14. chemical(a(4,"H",o("1s",1,"σ",2)))
  15. atomlocation(5,l(0,1398,0,0.375,1,1,1,-1),1)
  16. chemical(a(5,"H",o("1s",1,"σ",1)))
  17. atomlocation(6,l(0,-450,-1302,0.375,1,1,1,-1),1)
  18. chemical(a(6,"H",o("1s",1,"σ",1)))
  19. atomlocation(7,l(-2821,374,166,0.7,1,1,1,-21141),1)
  20. chemical(a(7,"C",o("sp2^",1,"σ",2)))
  21. chemical(a(7,"C",o("2p(x)",1,"σ",8)))
  22. chemical(a(7,"C",o("sp2`",1,"σ",8)))
  23. chemical(a(7,"C",o("sp2'",1,"σ",9)))
  24. atomlocation(8,l(-2522,1889,-767,0.7,1,1,1,-32737),1)
  25. chemical(a(8,"O",o("2s",2,"no",0)))
  26. chemical(a(8,"O",o("2p(x)",1,"σ",7)))
  27. chemical(a(8,"O",o("2p(y)",1,"σ",7)))
  28. chemical(a(8,"O",o("2p(z)",2,"no",0)))
  29. atomlocation(9,l(-4520,-195,423,0.7,1,1,1,-32737),1)
  30. chemical(a(9,"O",o("2s",2,"no",0)))
  31. chemical(a(9,"O",o("2p(x)",1,"σ",7)))
  32. chemical(a(9,"O",o("2p(y)",1,"no",0)))
  33. chemical(a(9,"O",o("2p(z)",2,"no",0)))
  34.