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CHEMICAL molecule Data  |  1988-06-26  |  4.5 KB  |  102 lines
  1. chemical_name("Tryptophan   (Amino Acid)")
  2. chemical(a(27,"H ",o("1s",1,"σ",11)))
  3. chemical(a(11,"C ",o("sp3_6^",1,"σ",27)))
  4. chemical(a(26,"H ",o("1s",1,"σ",10)))
  5. chemical(a(10,"C ",o("sp3_6^",1,"σ",26)))
  6. chemical(a(25,"H ",o("1s",1,"σ",10)))
  7. chemical(a(10,"C ",o("sp3_6~",1,"σ",25)))
  8. chemical(a(24,"H ",o("1s",1,"σ",8)))
  9. chemical(a(8,"C ",o("sp2_5^",1,"σ",24)))
  10. chemical(a(23,"H ",o("1s",1,"σ",7)))
  11. chemical(a(7,"N ",o("sp2_5^",1,"σ",23)))
  12. chemical(a(22,"H ",o("1s",1,"σ",5)))
  13. chemical(a(5,"C ",o("sp2^",1,"σ",22)))
  14. chemical(a(21,"H ",o("1s",1,"σ",4)))
  15. chemical(a(4,"C ",o("sp2^",1,"σ",21)))
  16. chemical(a(20,"H ",o("1s",1,"σ",3)))
  17. chemical(a(3,"C ",o("sp2^",1,"σ",20)))
  18. chemical(a(19,"H ",o("1s",1,"σ",2)))
  19. chemical(a(2,"C ",o("sp2^",1,"σ",19)))
  20. chemical(a(9,"C ",o("sp2_5`",1,"σ",1)))
  21. chemical(a(1,"C ",o("sp2^",1,"σ",9)))
  22. chemical(a(18,"H ",o("2p(x)",1,"σ",15)))
  23. chemical(a(15,"N ",o("sp3_6~",1,"σ",18)))
  24. chemical(a(17,"H ",o("1s",1,"σ",15)))
  25. chemical(a(15,"N ",o("sp3_6'",1,"σ",17)))
  26. chemical(a(16,"H ",o("1s",1,"σ",15)))
  27. chemical(a(15,"N ",o("sp3_6`",1,"σ",16)))
  28. chemical(a(15,"N ",o("sp3_6^",1,"σ",11)))
  29. chemical(a(11,"C ",o("sp3_6~",1,"σ",15)))
  30. chemical(a(14,"O ",o("3p(y)",1,"σ",12)))
  31. chemical(a(12,"C ",o("sp2`",1,"σ",14)))
  32. chemical(a(13,"O ",o("3p(y)",1,"σ",12)))
  33. chemical(a(12,"C ",o("sp2^",1,"σ",13)))
  34. chemical(a(12,"C ",o("sp2'",1,"σ",11)))
  35. chemical(a(11,"C ",o("sp3_6'",1,"σ",12)))
  36. chemical(a(11,"C ",o("sp3_6`",1,"σ",10)))
  37. chemical(a(10,"C ",o("sp3_6`",1,"σ",11)))
  38. chemical(a(10,"C ",o("sp3_6'",1,"σ",9)))
  39. chemical(a(9,"C ",o("sp2_5^",1,"σ",10)))
  40. chemical(a(9,"C ",o("sp2_5'",1,"σ",8)))
  41. chemical(a(8,"C ",o("sp2_5`",1,"σ",9)))
  42. chemical(a(8,"C ",o("sp2_5'",1,"σ",7)))
  43. chemical(a(7,"N ",o("sp2_5`",1,"σ",8)))
  44. chemical(a(7,"N ",o("sp2_5'",1,"σ",6)))
  45. chemical(a(6,"C ",o("sp2^",1,"σ",7)))
  46. chemical(a(6,"C ",o("sp2`",1,"σ",1)))
  47. chemical(a(1,"C ",o("sp2'",1,"σ",6)))
  48. chemical(a(6,"C ",o("sp2'",1,"σ",5)))
  49. chemical(a(5,"C ",o("sp2`",1,"σ",6)))
  50. chemical(a(5,"C ",o("sp2'",1,"σ",4)))
  51. chemical(a(4,"C ",o("sp2`",1,"σ",5)))
  52. chemical(a(4,"C ",o("sp2'",1,"σ",3)))
  53. chemical(a(3,"C ",o("sp2`",1,"σ",4)))
  54. chemical(a(3,"C ",o("sp2'",1,"σ",2)))
  55. chemical(a(2,"C ",o("sp2`",1,"σ",3)))
  56. chemical(a(2,"C ",o("sp2'",1,"σ",1)))
  57. chemical(a(1,"C ",o("sp2`",1,"σ",2)))
  58. atomlocation(27,l(-2611,-1151,-253,0.375,0.78000141327,-1.5672228411,6.2817146472,3848),1)
  59. atomlocation(26,l(-1046,-1151,-3155,0.375,5.5031803435,-4.7088181447,0.0014677981405,3848),1)
  60. atomlocation(25,l(-1046,815,-3155,0.375,0.78000318753,-4.7088181447,6.2817157329,3848),1)
  61. atomlocation(24,l(2251,-168,-3751,0.375,0,-4.9180087725,0,3848),1)
  62. atomlocation(23,l(4767,-168,-1401,0.375,0,-6.1746040833,0,3848),1)
  63. atomlocation(22,l(5158,-168,2072,0.375,0,-0.00020938844083,0,3848),1)
  64. atomlocation(21,l(3567,-168,4828,0.375,0,-1.0474046928,0,3848),1)
  65. atomlocation(20,l(384,-168,4828,0.375,0,-2.0945946854,0,3848),1)
  66. atomlocation(19,l(-1207,-168,2072,0.375,0,-3.1417899926,0,3848),1)
  67. atomlocation(18,l(-1682,313,722,0.375,0.86999325847,-0.62803286546,6.0791913443,3848),1)
  68. atomlocation(17,l(-3840,1111,711,0.375,0.00090113333385,-2.6469870544,0.0000000017154127008,3848),1)
  69. atomlocation(16,l(-2031,2320,-348,0.375,1.2537307182,-5.6831298376,0.54716487543,3848),1)
  70. atomlocation(15,l(-2610,1112,48,0.7,1.5099244469,31.910531925,0.0004839482378,3596),1)
  71. atomlocation(14,l(-5747,-168,-1234,0.7,1.57079633,30.372510036,0,269),1)
  72. atomlocation(13,l(-4190,-168,-3952,0.7,4.712387211,25.136317376,0,269),1)
  73. atomlocation(12,l(-4184,-168,-2144,0.691,0,-3.6614081447,0,1290),1)
  74. atomlocation(11,l(-2615,-168,-1246,0.7,0,62.312034932,0,1290),1)
  75. atomlocation(10,l(-1042,-168,-2162,0.7,0,-3.6614134554,0,1290),1)
  76. atomlocation(9,l(527,-168,-1264,0.691,0,-2.7230087662,0,1290),1)
  77. atomlocation(8,l(1968,-168,-2394,0.691,0,-3.9796040769,0,1290),1)
  78. atomlocation(7,l(3378,-168,-1250,0.7,0,-5.2361993877,0,3596),1)
  79. atomlocation(6,l(2874,-168,516,0.691,0,-4.1887946921,0,1290),1)
  80. atomlocation(5,l(3772,-168,2072,0.691,0,-5.2359900028,0,1290),1)
  81. atomlocation(4,l(2874,-168,3628,0.691,0,0,0,1290),1)
  82. atomlocation(3,l(1077,-168,3628,0.691,0,-1.0471899962,0,1290),1)
  83. atomlocation(2,l(179,-168,2072,0.691,0,-2.0943853034,0,1290),1)
  84. atomlocation(1,l(1077,-168,516,0.691,6.2832,6.2832,6.2832,1290),1)
  85. commandactive("Files")
  86. viewshown("Top")
  87. grid(8)
  88. atom_count(28)
  89. valencelist(15,1,5)
  90. valencelist(12,1,4)
  91. valencelist(11,1,4)
  92. valencelist(10,1,4)
  93. valencelist(9,1,4)
  94. valencelist(8,1,4)
  95. valencelist(7,1,5)
  96. valencelist(6,1,4)
  97. valencelist(5,1,4)
  98. valencelist(4,1,4)
  99. valencelist(3,1,4)
  100. valencelist(2,1,4)
  101. valencelist(1,1,4)
  102.