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CHEMICAL molecule Data  |  1988-10-09  |  1.8 KB  |  46 lines
  1. chemical_name("Isobutan C4H10")
  2. chemical(a(14,"H",o("1s",1,"σ",4)))
  3. chemical(a(4,"C",o("sp3~",1,"σ",14)))
  4. chemical(a(13,"H",o("1s",1,"σ",4)))
  5. chemical(a(4,"C",o("sp3^",1,"σ",13)))
  6. chemical(a(12,"H",o("1s",1,"σ",4)))
  7. chemical(a(4,"C",o("sp3`",1,"σ",12)))
  8. chemical(a(11,"H",o("1s",1,"σ",3)))
  9. chemical(a(3,"C",o("sp3~",1,"σ",11)))
  10. chemical(a(10,"H",o("1s",1,"σ",3)))
  11. chemical(a(3,"C",o("sp3^",1,"σ",10)))
  12. chemical(a(9,"H",o("1s",1,"σ",3)))
  13. chemical(a(3,"C",o("sp3`",1,"σ",9)))
  14. chemical(a(8,"H",o("1s",1,"σ",2)))
  15. chemical(a(2,"C",o("sp3~",1,"σ",8)))
  16. chemical(a(7,"H",o("1s",1,"σ",2)))
  17. chemical(a(2,"C",o("sp3^",1,"σ",7)))
  18. chemical(a(6,"H",o("1s",1,"σ",2)))
  19. chemical(a(2,"C",o("sp3`",1,"σ",6)))
  20. chemical(a(5,"H",o("1s",1,"σ",1)))
  21. chemical(a(1,"C",o("sp3~",1,"σ",5)))
  22. chemical(a(4,"C",o("sp3'",1,"σ",1)))
  23. chemical(a(1,"C",o("sp3^",1,"σ",4)))
  24. chemical(a(3,"C",o("sp3'",1,"σ",1)))
  25. chemical(a(1,"C",o("sp3`",1,"σ",3)))
  26. chemical(a(2,"C",o("sp3'",1,"σ",1)))
  27. chemical(a(1,"C",o("sp3'",1,"σ",2)))
  28. atomlocation(1,l(-3,-170,-474,0.691,0,0,0,1290),1)
  29. atomlocation(2,l(-3,1627,-474,0.691,0,0,0,1290),1)
  30. atomlocation(3,l(1467,-769,368,0.691,0,0,0,1290),1)
  31. atomlocation(4,l(-1463,-769,385,0.691,0,0,0,1290),1)
  32. atomlocation(5,l(-6,-632,-1780,0.375,0,0,0,3848),1)
  33. atomlocation(6,l(-1137,2089,-1123,0.375,0,0,0,3848),1)
  34. atomlocation(7,l(1123,2089,-1136,0.375,0,0,0,3848),1)
  35. atomlocation(8,l(0,2089,832,0.375,0,0,0,3848),1)
  36. atomlocation(9,l(1476,-493,1726,0.375,0,0,0,3848),1)
  37. atomlocation(10,l(2552,-149,-231,0.375,0,0,0,3848),1)
  38. atomlocation(11,l(1546,-2139,176,0.375,0,0,0,3848),1)
  39. atomlocation(12,l(-2556,-162,-212,0.375,0,0,0,3848),1)
  40. atomlocation(13,l(-1462,-478,1740,0.375,0,0,0,3848),1)
  41. atomlocation(14,l(-1541,-2140,201,0.375,0,0,0,3848),1)
  42. commandactive("Files")
  43. viewshown("Fnt")
  44. grid(8)
  45. atom_count(15)
  46.