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CHEMICAL molecule Data  |  1988-10-09  |  1.7 KB  |  43 lines
  1. chemical_name("Methyl Cyanoarylate (Super Glue)")
  2. chemical(a(13,"H ",o("1s",1,"σ",1)))
  3. chemical(a(1,"C ",o("sp2'",1,"σ",13)))
  4. chemical(a(12,"H ",o("1s",1,"σ",1)))
  5. chemical(a(1,"C ",o("sp2^",1,"σ",12)))
  6. chemical(a(11,"H ",o("1s",1,"σ",8)))
  7. chemical(a(8,"C ",o("sp3'",1,"σ",11)))
  8. chemical(a(10,"H ",o("1s",1,"σ",8)))
  9. chemical(a(8,"C ",o("sp3`",1,"σ",10)))
  10. chemical(a(9,"H ",o("1s",1,"σ",8)))
  11. chemical(a(8,"C ",o("sp3^",1,"σ",9)))
  12. chemical(a(8,"C ",o("sp3~",1,"σ",7)))
  13. chemical(a(7,"O ",o("2p(z)",1,"σ",8)))
  14. chemical(a(7,"O ",o("2p(y)",1,"σ",3)))
  15. chemical(a(3,"C ",o("sp2`",1,"σ",7)))
  16. chemical(a(6,"O ",o("2p(y)",1,"σ",3)))
  17. chemical(a(3,"C ",o("sp2^",1,"σ",6)))
  18. chemical(a(5,"N ",o("2p(x)",1,"σ",4)))
  19. chemical(a(4,"C ",o("sp`",1,"σ",5)))
  20. chemical(a(4,"C ",o("sp'",1,"σ",2)))
  21. chemical(a(2,"C ",o("sp2^",1,"σ",4)))
  22. chemical(a(3,"C ",o("sp2'",1,"σ",2)))
  23. chemical(a(2,"C ",o("sp2`",1,"σ",3)))
  24. chemical(a(2,"C ",o("sp2'",1,"σ",1)))
  25. chemical(a(1,"C ",o("sp2`",1,"σ",2)))
  26. atomlocation(1,l(-56,0,-2910,0.74,0,0,0,1290),1)
  27. atomlocation(2,l(-1018,0,-1244,0.74,0,0,0,1290),1)
  28. atomlocation(3,l(-56,0,422,0.74,0,0,0,1290),1)
  29. atomlocation(4,l(-2878,0,-1244,0.691,0,0,0,1290),1)
  30. atomlocation(5,l(-4686,0,-1244,0.7,0,0,0,3596),1)
  31. atomlocation(6,l(-992,0,2043,0.7,0,0,0,269),1)
  32. atomlocation(7,l(1816,0,422,0.7,0,0,0,269),1)
  33. atomlocation(8,l(1816,0,2336,0.772,0,0,0,1290),1)
  34. atomlocation(9,l(3033,-703,2833,0.375,0,0,0,3848),1)
  35. atomlocation(10,l(599,-703,2833,0.375,0,0,0,3848),1)
  36. atomlocation(11,l(1816,1406,2833,0.375,0,0,0,3848),1)
  37. atomlocation(12,l(-781,0,-4165,0.375,0,0,0,3848),1)
  38. atomlocation(13,l(1393,0,-2910,0.375,0,0,0,3848),1)
  39. commandactive("Files")
  40. viewshown("Top")
  41. grid(8)
  42. atom_count(14)
  43.