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Text File  |  1992-08-14  |  2KB  |  34 lines
  1. atomlocation(1,l(0,0,0,0.7,6.2832,6.2832,6.2832,-21141),1)
  2. chemical(a(1,"C",o("sp3~",1,"no",0)))
  3. chemical(a(1,"C",o("sp3'",1,"σ",9)))
  4. chemical(a(1,"C",o("sp3^",1,"σ",3)))
  5. chemical(a(1,"C",o("sp3`",1,"σ",2)))
  6. atomlocation(2,l(1486,-587,858,0.7,3.75732646,63.13202937,1.968246754,-21141),1)
  7. chemical(a(2,"C",o("sp2^",1,"σ",1)))
  8. chemical(a(2,"C",o("2p(x)",1,"no",0)))
  9. chemical(a(2,"C",o("sp2`",1,"σ",4)))
  10. chemical(a(2,"C",o("sp2'",1,"σ",5)))
  11. atomlocation(3,l(-1469,-589,858,0.7,2.966262371e-05,1.260528399e-05,7.346510157e-06,-1024),1)
  12. chemical(a(3,"N",o("sp3~",1,"σ",8)))
  13. chemical(a(3,"N",o("sp3^",1,"σ",1)))
  14. chemical(a(3,"N",o("sp3`",1,"σ",7)))
  15. chemical(a(3,"N",o("sp3'",1,"σ",6)))
  16. atomlocation(4,l(2332,590,1944,0.7,5.451128035,5.374482263,0.1944719594,-32737),1)
  17. chemical(a(4,"O",o("2s",2,"no",0)))
  18. chemical(a(4,"O",o("2p(x)",1,"σ",2)))
  19. chemical(a(4,"O",o("2p(y)",1,"no",0)))
  20. chemical(a(4,"O",o("2p(z)",2,"no",0)))
  21. atomlocation(5,l(2159,-2264,650,0.7,4.835885034,0.300177211,5.391798703,-32737),1)
  22. chemical(a(5,"O",o("2s",2,"no",0)))
  23. chemical(a(5,"O",o("2p(x)",1,"σ",2)))
  24. chemical(a(5,"O",o("2p(y)",1,"no",0)))
  25. chemical(a(5,"O",o("2p(z)",2,"no",0)))
  26. atomlocation(6,l(-1467,-1987,858,0.375,1.57079633,3.14159256,4.712389078,-1),1)
  27. chemical(a(6,"H",o("1s",1,"σ",3)))
  28. atomlocation(7,l(-2608,-121,199,0.375,0.6157557184,5.759609448,6.217254229,-1),1)
  29. chemical(a(7,"H",o("1s",1,"σ",3)))
  30. atomlocation(8,l(-1467,-121,2175,0.375,5.943214967,1.57079623,0,-1),1)
  31. chemical(a(8,"H",o("1s",1,"σ",3)))
  32. atomlocation(9,l(0,1398,0,0.375,4.712388978,3.14159256,1.57079633,-1),1)
  33. chemical(a(9,"H",o("1s",1,"σ",1)))
  34.