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Text File  |  1988-06-26  |  2KB  |  47 lines
  1. chemical_name("Alanine   (Amino Acid)")
  2. chemical(a(13,"H ",o("1s",1,"σ",4)))
  3. chemical(a(4,"N ",o("sp3~",1,"σ",13)))
  4. chemical(a(12,"H ",o("1s",1,"σ",4)))
  5. chemical(a(4,"N ",o("sp3'",1,"σ",12)))
  6. chemical(a(11,"H ",o("1s",1,"σ",4)))
  7. chemical(a(4,"N ",o("sp3`",1,"σ",11)))
  8. chemical(a(10,"H ",o("1s",1,"σ",2)))
  9. chemical(a(2,"C ",o("sp3^",1,"σ",10)))
  10. chemical(a(9,"H ",o("1s",1,"σ",3)))
  11. chemical(a(3,"C ",o("sp3`",1,"σ",9)))
  12. chemical(a(8,"H ",o("1s",1,"σ",3)))
  13. chemical(a(3,"C ",o("sp3^",1,"σ",8)))
  14. chemical(a(7,"H ",o("1s",1,"σ",3)))
  15. chemical(a(3,"C ",o("sp3~",1,"σ",7)))
  16. chemical(a(4,"N ",o("sp3^",1,"σ",2)))
  17. chemical(a(2,"C ",o("sp3~",1,"σ",4)))
  18. chemical(a(6,"O ",o("3p(y)",1,"σ",1)))
  19. chemical(a(1,"C ",o("sp3^",1,"σ",6)))
  20. chemical(a(5,"O ",o("3p(y)",1,"σ",1)))
  21. chemical(a(1,"C ",o("sp3~",1,"σ",5)))
  22. chemical(a(3,"C ",o("sp3'",1,"σ",2)))
  23. chemical(a(2,"C ",o("sp3`",1,"σ",3)))
  24. chemical(a(2,"C ",o("sp3'",1,"σ",1)))
  25. chemical(a(1,"C ",o("sp3`",1,"σ",2)))
  26. atomlocation(13,l(-543,-1769,-1416,0.375,5.8592432664,-3.8964114317,0.032267003295,3848),1)
  27. atomlocation(12,l(222,-1999,722,0.375,0.48392407614,-1.7392053409,0.037507224222,3848),1)
  28. atomlocation(11,l(1697,-1684,-991,0.375,5.6924630327,-5.9144878591,6.2416196132,3848),1)
  29. atomlocation(10,l(1412,1052,-849,0.375,0.80206725518,-5.7784120109,0.14096820165,3848),1)
  30. atomlocation(9,l(-793,1518,1842,0.375,5.1393064346,-2.8568261061,5.9717974152,3848),1)
  31. atomlocation(8,l(1467,1531,1825,0.375,5.1127754633,-0.27110841643,0.33048747076,3848),1)
  32. atomlocation(7,l(347,-398,2224,0.375,1.0304677455,-1.5598021686,6.2769584274,3848),1)
  33. atomlocation(6,l(-2613,428,-228,0.7,2.1800851693,30.376735721,5.9920592379,269),1)
  34. atomlocation(5,l(-1147,428,-2797,0.7,4.3724009642,25.135139697,0.000010996155733,269),1)
  35. atomlocation(4,l(430,-1356,-501,0.7,5.2170943988,-2.4931179257,5.9703438852,3596),1)
  36. atomlocation(3,l(339,790,1511,0.691,1.3704477694,31.42257268,6.2831643881,1290),1)
  37. atomlocation(2,l(327,432,-250,0.691,2.1894828727,32.466744656,0.29998843039,1290),1)
  38. atomlocation(1,l(-1143,1031,-1092,0.691,6.2832,6.2832,6.2832,1290),1)
  39. commandactive("Files")
  40. viewshown("Rht")
  41. grid(8)
  42. atom_count(14)
  43. valencelist(4,1,5)
  44. valencelist(3,1,4)
  45. valencelist(2,1,4)
  46. valencelist(1,1,4)
  47.