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Text File  |  1992-08-16  |  1.5 KB  |  38 lines
  1. atomlocation(1,l(0,0,0,0.7,1,1,1,-21141),1)
  2. chemical(a(1,"C",o("sp3~",1,"σ",11)))
  3. chemical(a(1,"C",o("sp3'",1,"σ",10)))
  4. chemical(a(1,"C",o("sp3^",1,"σ",2)))
  5. chemical(a(1,"C",o("sp3`",1,"no",0)))
  6. atomlocation(2,l(-1447,-567,858,0.7,1,1,1,-21141),1)
  7. chemical(a(2,"C",o("sp3~",1,"σ",1)))
  8. chemical(a(2,"C",o("sp3'",1,"σ",9)))
  9. chemical(a(2,"C",o("sp3^",1,"σ",8)))
  10. chemical(a(2,"C",o("sp3`",1,"σ",3)))
  11. atomlocation(3,l(-2816,374,166,0.7,1,1,1,-21141),1)
  12. chemical(a(3,"C",o("sp2^",1,"σ",2)))
  13. chemical(a(3,"C",o("2p(x)",1,"σ",4)))
  14. chemical(a(3,"C",o("sp2`",1,"σ",4)))
  15. chemical(a(3,"C",o("sp2'",1,"σ",5)))
  16. atomlocation(4,l(-2517,1889,-762,0.7,1,1,1,-32737),1)
  17. chemical(a(4,"O",o("2s",2,"no",0)))
  18. chemical(a(4,"O",o("2p(x)",1,"σ",3)))
  19. chemical(a(4,"O",o("2p(y)",1,"σ",3)))
  20. chemical(a(4,"O",o("2p(z)",2,"no",0)))
  21. atomlocation(5,l(-4515,-190,423,0.7,1,1,1,-1024),1)
  22. chemical(a(5,"N",o("sp2^",1,"σ",7)))
  23. chemical(a(5,"N",o("sp2`",1,"σ",3)))
  24. chemical(a(5,"N",o("sp2'",1,"σ",6)))
  25. chemical(a(5,"N",o("2p(z)",2,"no",0)))
  26. atomlocation(6,l(-5581,655,187,0.375,1,1,1,-1),1)
  27. chemical(a(6,"H",o("1s",1,"σ",5)))
  28. atomlocation(7,l(-4758,-1493,855,0.375,1,1,1,-1),1)
  29. chemical(a(7,"H",o("1s",1,"σ",5)))
  30. atomlocation(8,l(-1729,-1926,715,0.375,1,1,1,-1),1)
  31. chemical(a(8,"H",o("1s",1,"σ",2)))
  32. atomlocation(9,l(-1293,-262,2214,0.375,1,1,1,-1),1)
  33. chemical(a(9,"H",o("1s",1,"σ",2)))
  34. atomlocation(10,l(0,1398,0,0.375,1,1,1,-1),1)
  35. chemical(a(10,"H",o("1s",1,"σ",1)))
  36. atomlocation(11,l(0,-450,-1302,0.375,1,1,1,-1),1)
  37. chemical(a(11,"H",o("1s",1,"σ",1)))
  38.