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CHEMICAL molecule Data  |  1988-06-26  |  3.6 KB  |  84 lines
  1. chemical_name("Tyrosine  (Amino Acid)")
  2. chemical(a(22,"H ",o("1s",1,"σ",5)))
  3. chemical(a(5,"C ",o("sp2^",1,"σ",22)))
  4. chemical(a(21,"H ",o("1s",1,"σ",4)))
  5. chemical(a(4,"C ",o("sp2^",1,"σ",21)))
  6. chemical(a(20,"H ",o("1s",1,"σ",2)))
  7. chemical(a(2,"C ",o("sp2^",1,"σ",20)))
  8. chemical(a(17,"H ",o("1s",1,"σ",1)))
  9. chemical(a(1,"C ",o("sp2^",1,"σ",17)))
  10. chemical(a(19,"O ",o("3p(z)",1,"σ",18)))
  11. chemical(a(18,"H ",o("1s",1,"σ",19)))
  12. chemical(a(19,"O ",o("3p(y)",1,"σ",3)))
  13. chemical(a(3,"C ",o("sp2^",1,"σ",19)))
  14. chemical(a(16,"H ",o("1s",1,"σ",7)))
  15. chemical(a(7,"C ",o("sp2`",1,"σ",16)))
  16. chemical(a(15,"H ",o("2p(x)",1,"σ",12)))
  17. chemical(a(12,"N ",o("sp3~",1,"σ",15)))
  18. chemical(a(14,"H ",o("1s",1,"σ",12)))
  19. chemical(a(12,"N ",o("sp3'",1,"σ",14)))
  20. chemical(a(13,"H ",o("1s",1,"σ",12)))
  21. chemical(a(12,"N ",o("sp3`",1,"σ",13)))
  22. chemical(a(12,"N ",o("sp3^",1,"σ",8)))
  23. chemical(a(8,"C ",o("sp2^",1,"σ",12)))
  24. chemical(a(11,"O ",o("3p(y)",1,"σ",9)))
  25. chemical(a(9,"C ",o("sp2'",1,"σ",11)))
  26. chemical(a(10,"O ",o("3p(y)",1,"σ",9)))
  27. chemical(a(9,"C ",o("sp2^",1,"σ",10)))
  28. chemical(a(9,"C ",o("sp2`",1,"σ",8)))
  29. chemical(a(8,"C ",o("sp2`",1,"σ",9)))
  30. chemical(a(8,"C ",o("sp2'",1,"σ",7)))
  31. chemical(a(7,"C ",o("sp2'",1,"σ",8)))
  32. chemical(a(7,"C ",o("sp2^",1,"σ",6)))
  33. chemical(a(6,"C ",o("sp2^",1,"σ",7)))
  34. chemical(a(6,"C ",o("sp2`",1,"σ",1)))
  35. chemical(a(1,"C ",o("sp2'",1,"σ",6)))
  36. chemical(a(6,"C ",o("sp2'",1,"σ",5)))
  37. chemical(a(5,"C ",o("sp2`",1,"σ",6)))
  38. chemical(a(5,"C ",o("sp2'",1,"σ",4)))
  39. chemical(a(4,"C ",o("sp2`",1,"σ",5)))
  40. chemical(a(4,"C ",o("sp2'",1,"σ",3)))
  41. chemical(a(3,"C ",o("sp2`",1,"σ",4)))
  42. chemical(a(3,"C ",o("sp2'",1,"σ",2)))
  43. chemical(a(2,"C ",o("sp2`",1,"σ",3)))
  44. chemical(a(2,"C ",o("sp2'",1,"σ",1)))
  45. chemical(a(1,"C ",o("sp2`",1,"σ",2)))
  46. atomlocation(22,l(1547,-64,1132,0.375,0,-0.00020938844083,0,3848),1)
  47. atomlocation(21,l(-44,-64,3888,0.375,0,-1.0474046928,0,3848),1)
  48. atomlocation(20,l(-4818,-64,1132,0.375,0,-3.1417899926,0,3848),1)
  49. atomlocation(19,l(-3407,-64,4200,0.7,1.57079633,30.892128185,0,269),1)
  50. atomlocation(18,l(-4407,-67,5200,0.375,4.712387201,0,1.57079633,3848),1)
  51. atomlocation(17,l(-3227,-64,-1624,0.375,0,-4.1889853034,0,3848),1)
  52. atomlocation(16,l(-530,-64,-3180,0.375,0,-4.1892093812,0,3848),1)
  53. atomlocation(15,l(4179,371,-581,0.375,1.2007653385,-6.1559274707,0.19988614361,3848),1)
  54. atomlocation(14,l(2862,-1358,116,0.375,1.183147409,-1.57079633,0,3848),1)
  55. atomlocation(13,l(2198,798,465,0.375,5.5067321647,-2.2191440235,6.1158053796,3848),1)
  56. atomlocation(12,l(2862,-64,-412,0.7,5.8955344953,1.562171226,0,3596),1)
  57. atomlocation(11,l(4666,-64,-3534,0.7,1.57079633,32.9863041,0,269),1)
  58. atomlocation(10,l(1955,-64,-5102,0.7,4.712387211,25.655711443,0,269),1)
  59. atomlocation(9,l(2858,-64,-3535,0.691,3.141590881,62.831431656,3.141590871,1290),1)
  60. atomlocation(8,l(1959,-64,-1979,0.691,0,-0.00042407758979,0,1290),1)
  61. atomlocation(7,l(162,-64,-1980,0.691,0,62.831431656,3.141590871,1290),1)
  62. atomlocation(6,l(-737,-64,-424,0.691,0,-4.1887946921,0,1290),1)
  63. atomlocation(5,l(161,-64,1132,0.691,0,-5.2359900028,0,1290),1)
  64. atomlocation(4,l(-737,-64,2688,0.691,0,0,0,1290),1)
  65. atomlocation(3,l(-2534,-64,2688,0.691,0,-1.0471899962,0,1290),1)
  66. atomlocation(2,l(-3432,-64,1132,0.691,0,-2.0943853034,0,1290),1)
  67. atomlocation(1,l(-2534,-64,-424,0.691,6.2832,6.2832,6.2832,1290),1)
  68. commandactive("Files")
  69. viewshown("Bot")
  70. grid(8)
  71. atom_count(23)
  72. valencelist(3,2,4)
  73. valencelist(12,1,5)
  74. valencelist(1,1,4)
  75. valencelist(9,1,4)
  76. valencelist(8,1,4)
  77. valencelist(7,1,4)
  78. valencelist(6,1,4)
  79. valencelist(5,1,4)
  80. valencelist(4,1,4)
  81. valencelist(3,1,4)
  82. valencelist(2,1,4)
  83. valencelist(1,1,4)
  84.