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Text File  |  1992-08-16  |  1KB  |  26 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",4)))
  4. chemical(a(1,"C",o("sp3^",1,"σ",2)))
  5. chemical(a(1,"C",o("sp3`",1,"σ",6)))
  6. atomlocation(2,l(-1454,-574,858,0.7,2.95385962e-05,4.188802871,7.438580382e-06,-32737),1)
  7. chemical(a(2,"O",o("sp3~",2,"no",0)))
  8. chemical(a(2,"O",o("sp3^",2,"no",0)))
  9. chemical(a(2,"O",o("sp3`",1,"σ",1)))
  10. chemical(a(2,"O",o("sp3'",1,"σ",3)))
  11. atomlocation(3,l(-1451,-1969,858,0.375,1.57079633,3.14159256,4.712389078,-1),1)
  12. chemical(a(3,"H",o("1s",1,"σ",2)))
  13. atomlocation(4,l(0,1398,0,0.375,4.712388978,3.14159256,1.57079633,-1),1)
  14. chemical(a(4,"H",o("1s",1,"σ",1)))
  15. atomlocation(5,l(2538,152,326,0.375,0.9550769774,3.609409946,0.2289598323,-1),1)
  16. chemical(a(5,"H",o("1s",1,"σ",6)))
  17. atomlocation(6,l(1486,-591,858,0.7,4.097326558,63.29921713,1.183028189,-21141),1)
  18. chemical(a(6,"C",o("sp3~",1,"σ",1)))
  19. chemical(a(6,"C",o("sp3'",1,"σ",7)))
  20. chemical(a(6,"C",o("sp3^",1,"σ",5)))
  21. chemical(a(6,"C",o("sp3`",1,"σ",8)))
  22. atomlocation(7,l(1334,-284,2214,0.375,6.06189733,1.458958533,6.273246558,-1),1)
  23. chemical(a(7,"H",o("1s",1,"σ",6)))
  24. atomlocation(8,l(1768,-1950,715,0.375,4.816799596,3.610649633,5.38315327,-1),1)
  25. chemical(a(8,"H",o("1s",1,"σ",6)))
  26.