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CHEMICAL molecule Data  |  1988-06-26  |  1.3 KB  |  30 lines
  1. chemical_name("CF3COOH")
  2. chemical(a(8,"H ",o("1s",1,"σ",7)))
  3. chemical(a(7,"O ",o("3p(z)",1,"σ",8)))
  4. chemical(a(7,"O ",o("3p(y)",1,"σ",5)))
  5. chemical(a(5,"C ",o("sp2'",1,"σ",7)))
  6. chemical(a(6,"O ",o("3p(y)",1,"σ",5)))
  7. chemical(a(5,"C ",o("sp2^",1,"σ",6)))
  8. chemical(a(5,"C ",o("sp2`",1,"σ",1)))
  9. chemical(a(1,"C ",o("sp3'",1,"σ",5)))
  10. chemical(a(4,"F ",o("3p(z)",1,"σ",1)))
  11. chemical(a(1,"C ",o("sp3`",1,"σ",4)))
  12. chemical(a(3,"F ",o("3p(z)",1,"σ",1)))
  13. chemical(a(1,"C ",o("sp3^",1,"σ",3)))
  14. chemical(a(2,"F ",o("3p(z)",1,"σ",1)))
  15. chemical(a(1,"C ",o("sp3~",1,"σ",2)))
  16. atomlocation(8,l(-1419,1809,1221,0.375,0,-1.57079633,0,3848),1)
  17. atomlocation(7,l(-1419,1809,-176,0.7,0,28.27433389,1.0471882238,269),1)
  18. atomlocation(6,l(1823,1809,-176,0.7,0,31.41592654,5.2361882266,269),1)
  19. atomlocation(5,l(202,873,-176,0.74,4.712387201,62.83185308,5.7595816368,1290),1)
  20. atomlocation(4,l(1777,-1735,726,0.709,0.61868654271,63.299809219,1.1837522464,2317),1)
  21. atomlocation(3,l(-1363,-1735,744,0.709,0.60928883931,62.36594609,5.1018238821,2317),1)
  22. atomlocation(2,l(198,-1735,-1991,0.709,2.8016046342,62.831849239,6.2764029647,2317),1)
  23. atomlocation(1,l(202,-1093,-176,0.772,6.2832,6.2832,6.2832,1290),1)
  24. commandactive("Files")
  25. viewshown("Fnt")
  26. grid(8)
  27. atom_count(9)
  28. valencelist(5,1,4)
  29. valencelist(1,1,4)
  30.