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CHEMICAL molecule Data  |  1988-06-26  |  3.6 KB  |  77 lines
  1. chemical_name("Isoleucine  (Amino Acid)")
  2. chemical(a(22,"H ",o("2p(x)",1,"σ",9)))
  3. chemical(a(9,"N ",o("sp3~",1,"σ",22)))
  4. chemical(a(21,"H ",o("1s",1,"σ",9)))
  5. chemical(a(9,"N ",o("sp3'",1,"σ",21)))
  6. chemical(a(20,"H ",o("1s",1,"σ",9)))
  7. chemical(a(9,"N ",o("sp3`",1,"σ",20)))
  8. chemical(a(19,"H ",o("1s",1,"σ",6)))
  9. chemical(a(6,"C ",o("sp3_6'",1,"σ",19)))
  10. chemical(a(18,"H ",o("1s",1,"σ",6)))
  11. chemical(a(6,"C ",o("sp3_6`",1,"σ",18)))
  12. chemical(a(17,"H ",o("1s",1,"σ",6)))
  13. chemical(a(6,"C ",o("sp3_6^",1,"σ",17)))
  14. chemical(a(16,"H ",o("1s",1,"σ",5)))
  15. chemical(a(5,"C ",o("sp3_6`",1,"σ",16)))
  16. chemical(a(15,"H ",o("1s",1,"σ",5)))
  17. chemical(a(5,"C ",o("sp3_6^",1,"σ",15)))
  18. chemical(a(14,"H ",o("1s",1,"σ",5)))
  19. chemical(a(5,"C ",o("sp3_6~",1,"σ",14)))
  20. chemical(a(13,"H ",o("1s",1,"σ",4)))
  21. chemical(a(4,"C ",o("sp3_6^",1,"σ",13)))
  22. chemical(a(12,"H ",o("1s",1,"σ",4)))
  23. chemical(a(4,"C ",o("sp3_6~",1,"σ",12)))
  24. chemical(a(11,"H ",o("1s",1,"σ",3)))
  25. chemical(a(3,"C ",o("sp3_6^",1,"σ",11)))
  26. chemical(a(10,"H ",o("1s",1,"σ",2)))
  27. chemical(a(2,"C ",o("sp3_6^",1,"σ",10)))
  28. chemical(a(9,"N ",o("sp3^",1,"σ",2)))
  29. chemical(a(2,"C ",o("sp3_6~",1,"σ",9)))
  30. chemical(a(8,"O ",o("3p(y)",1,"σ",1)))
  31. chemical(a(1,"C ",o("sp2'",1,"σ",8)))
  32. chemical(a(7,"O ",o("3p(y)",1,"σ",1)))
  33. chemical(a(1,"C ",o("sp2^",1,"σ",7)))
  34. chemical(a(6,"C ",o("sp3_6~",1,"σ",3)))
  35. chemical(a(3,"C ",o("sp3_6~",1,"σ",6)))
  36. chemical(a(5,"C ",o("sp3_6'",1,"σ",4)))
  37. chemical(a(4,"C ",o("sp3_6'",1,"σ",5)))
  38. chemical(a(4,"C ",o("sp3_6`",1,"σ",3)))
  39. chemical(a(3,"C ",o("sp3_6`",1,"σ",4)))
  40. chemical(a(3,"C ",o("sp3_6'",1,"σ",2)))
  41. chemical(a(2,"C ",o("sp3_6'",1,"σ",3)))
  42. chemical(a(2,"C ",o("sp3_6`",1,"σ",1)))
  43. chemical(a(1,"C ",o("sp2`",1,"σ",2)))
  44. atomlocation(22,l(3475,1189,417,0.375,0.67874941877,-5.9531220827,0.057747115143,3848),1)
  45. atomlocation(21,l(2264,386,2176,0.375,0.32794780878,-1.5195534184,6.2748965301,3848),1)
  46. atomlocation(20,l(1356,1951,785,0.375,1.5076938483,-3.2253127848,5.4413401027,3848),1)
  47. atomlocation(19,l(-2315,836,-1387,0.375,0,-3.14159265,0,3848),1)
  48. atomlocation(18,l(-219,2036,-1227,0.375,4.8449203129,-0.22500590023,0.82027525087,3848),1)
  49. atomlocation(17,l(-421,113,-2475,0.375,5.6965880765,-5.1405832107,6.1954006678,3848),1)
  50. atomlocation(16,l(-3700,-444,2520,0.375,0,-2.0943973392,0,3848),1)
  51. atomlocation(15,l(-3498,-1427,449,0.375,5.4315177602,-4.1889973392,0.18645658392,3848),1)
  52. atomlocation(14,l(-3498,539,449,0.375,0.85166577076,-4.1889973392,6.0967269471,3848),1)
  53. atomlocation(13,l(-684,-1427,2170,0.375,0.8516647507,-1.0474020356,6.0967261615,3848),1)
  54. atomlocation(12,l(-684,539,2170,0.375,5.4315170013,-1.0474020356,0.18645736828,3848),1)
  55. atomlocation(11,l(-768,-1427,-1127,0.375,5.4315177602,-4.1889973392,0.18645658392,3848),1)
  56. atomlocation(10,l(2046,-1427,594,0.375,0.85166819309,-1.0473899998,6.0967225858,3848),1)
  57. atomlocation(9,l(2196,836,855,0.7,5.0437759447,1.5626099966,0.14961552832,3596),1)
  58. atomlocation(8,l(4261,-444,-1832,0.7,1.57079633,32.98672287,0,269),1)
  59. atomlocation(7,l(1549,-444,-3398,0.7,4.712387211,25.656144907,0,269),1)
  60. atomlocation(6,l(-918,836,-1387,0.7,1.7033307815,31.415928821,0.00000052990570598,1290),1)
  61. atomlocation(5,l(-3001,-444,1310,0.7,0,-3.14159265,0,1290),1)
  62. atomlocation(4,l(-1181,-444,1310,0.7,0,62.831855737,0,1290),1)
  63. atomlocation(3,l(-271,-444,-266,0.7,0,-3.14159265,0,1290),1)
  64. atomlocation(2,l(1549,-444,-266,0.7,0,62.831867773,0,1290),1)
  65. atomlocation(1,l(2453,-444,-1832,0.691,6.2832,6.2832,6.2832,1290),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.