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CHEMICAL molecule Data  |  1988-06-26  |  3.7 KB  |  77 lines
  1. chemical_name("Leucine  (Amino Acid)")
  2. chemical(a(22,"H ",o("1s",1,"σ",2)))
  3. chemical(a(2,"C ",o("sp3~",1,"σ",22)))
  4. chemical(a(21,"H ",o("1s",1,"σ",3)))
  5. chemical(a(3,"C ",o("sp3^",1,"σ",21)))
  6. chemical(a(20,"H ",o("1s",1,"σ",3)))
  7. chemical(a(3,"C ",o("sp3~",1,"σ",20)))
  8. chemical(a(19,"H ",o("1s",1,"σ",4)))
  9. chemical(a(4,"C ",o("sp3^",1,"σ",19)))
  10. chemical(a(18,"H ",o("1s",1,"σ",6)))
  11. chemical(a(6,"C ",o("sp3'",1,"σ",18)))
  12. chemical(a(17,"H ",o("1s",1,"σ",6)))
  13. chemical(a(6,"C ",o("sp3`",1,"σ",17)))
  14. chemical(a(16,"H ",o("1s",1,"σ",6)))
  15. chemical(a(6,"C ",o("sp3^",1,"σ",16)))
  16. chemical(a(15,"H ",o("1s",1,"σ",5)))
  17. chemical(a(5,"C ",o("sp3`",1,"σ",15)))
  18. chemical(a(14,"H ",o("1s",1,"σ",5)))
  19. chemical(a(5,"C ",o("sp3^",1,"σ",14)))
  20. chemical(a(13,"H ",o("1s",1,"σ",5)))
  21. chemical(a(5,"C ",o("sp3~",1,"σ",13)))
  22. chemical(a(6,"C ",o("sp3~",1,"σ",4)))
  23. chemical(a(4,"C ",o("sp3~",1,"σ",6)))
  24. chemical(a(5,"C ",o("sp3'",1,"σ",4)))
  25. chemical(a(4,"C ",o("sp3`",1,"σ",5)))
  26. chemical(a(12,"H ",o("1s",1,"σ",9)))
  27. chemical(a(9,"N ",o("sp3~",1,"σ",12)))
  28. chemical(a(11,"H ",o("1s",1,"σ",9)))
  29. chemical(a(9,"N ",o("sp3'",1,"σ",11)))
  30. chemical(a(10,"H ",o("1s",1,"σ",9)))
  31. chemical(a(9,"N ",o("sp3`",1,"σ",10)))
  32. chemical(a(9,"N ",o("sp3^",1,"σ",2)))
  33. chemical(a(2,"C ",o("sp3^",1,"σ",9)))
  34. chemical(a(8,"O ",o("3p(y)",1,"σ",1)))
  35. chemical(a(1,"C ",o("sp2'",1,"σ",8)))
  36. chemical(a(7,"O ",o("3p(y)",1,"σ",1)))
  37. chemical(a(1,"C ",o("sp2^",1,"σ",7)))
  38. chemical(a(4,"C ",o("sp3'",1,"σ",3)))
  39. chemical(a(3,"C ",o("sp3`",1,"σ",4)))
  40. chemical(a(3,"C ",o("sp3'",1,"σ",2)))
  41. chemical(a(2,"C ",o("sp3`",1,"σ",3)))
  42. chemical(a(2,"C ",o("sp3'",1,"σ",1)))
  43. chemical(a(1,"C ",o("sp2`",1,"σ",2)))
  44. atomlocation(22,l(1190,-1491,-20,0.375,1.2724315338,-2.0876243521,0.36341436063,3848),1)
  45. atomlocation(21,l(-766,408,-1857,0.375,6.081554382,-4.2476569228,0.007102638089,3848),1)
  46. atomlocation(20,l(44,2020,-484,0.375,4.8245506022,-0.65705665378,0.77179502987,3848),1)
  47. atomlocation(19,l(-716,414,1932,0.375,6.0023273006,-1.194219161,0.018910348119,3848),1)
  48. atomlocation(18,l(-1336,-2282,1841,0.375,0.40603288486,-1.5930002884,0.0045582314499,3848),1)
  49. atomlocation(17,l(-2463,-2087,-112,0.375,5.8052370494,-3.6739881936,0.031575144957,3848),1)
  50. atomlocation(16,l(-207,-2220,-119,0.375,5.6685984204,-5.7253277136,6.2137338367,3848),1)
  51. atomlocation(15,l(-3618,237,1498,0.375,0.47169910677,-2.2152837022,0.052505645422,3848),1)
  52. atomlocation(14,l(-3434,450,-745,0.375,6.0334223967,-4.2631031672,0.012912484682,3848),1)
  53. atomlocation(13,l(-2764,2136,614,0.375,4.8151768997,-1.044139123,0.46905465634,3848),1)
  54. atomlocation(12,l(3689,843,349,0.375,0.32644527935,-5.9255480828,0.0065819398787,3848),1)
  55. atomlocation(11,l(2426,-48,2028,0.375,0.54759100391,-1.5399938913,6.2745559556,3848),1)
  56. atomlocation(10,l(1819,1933,1071,0.375,4.8985852712,-2.7483793399,5.5257501379,3848),1)
  57. atomlocation(9,l(2389,679,835,0.7,5.260545003,1.6969989185,0.050486455045,3596),1)
  58. atomlocation(8,l(4124,-185,-1978,0.7,1.57079633,32.98672287,0,269),1)
  59. atomlocation(7,l(1412,-185,-3544,0.7,4.712387211,25.656144907,0,269),1)
  60. atomlocation(6,l(-1308,-1735,568,0.691,5.1189472141,62.832613679,6.2298029884,1290),1)
  61. atomlocation(5,l(-2847,760,472,0.691,5.9870501317,26.573054693,0.87084637505,1290),1)
  62. atomlocation(4,l(-1208,55,687,0.691,1.9975312619,30.744290828,6.1717264257,1290),1)
  63. atomlocation(3,l(-155,657,-638,0.691,6.031894869,26.567002557,0.83035279695,1290),1)
  64. atomlocation(2,l(1418,-185,-422,0.691,1.57079633,30.892337567,0,1290),1)
  65. atomlocation(1,l(2316,-185,-1978,0.691,6.2832,6.2832,6.2832,1290),1)
  66. commandactive("Files")
  67. viewshown("Top")
  68. grid(8)
  69. atom_count(23)
  70. valencelist(9,1,5)
  71. valencelist(6,1,4)
  72. valencelist(5,1,4)
  73. valencelist(4,1,4)
  74. valencelist(3,1,4)
  75. valencelist(2,1,4)
  76. valencelist(1,1,4)
  77.