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CHEMICAL molecule Data  |  1988-06-26  |  4.7 KB  |  105 lines
  1. chemical_name("L_tryptophan  (Amino Acid)")
  2. chemical(a(4,"C ",o("3p(z)",1,"π",3)))
  3. chemical(a(3,"C ",o("3p(z)",1,"π",4)))
  4. chemical(a(2,"C ",o("3p(z)",1,"π",1)))
  5. chemical(a(1,"C ",o("3p(z)",1,"π",2)))
  6. chemical(a(20,"C ",o("3p(z)",1,"π",19)))
  7. chemical(a(19,"C ",o("3p(z)",1,"π",20)))
  8. chemical(a(21,"C ",o("sp2`",1,"σ",2)))
  9. chemical(a(2,"C ",o("sp2_5^",1,"σ",21)))
  10. chemical(a(26,"H ",o("1s",1,"σ",21)))
  11. chemical(a(21,"C ",o("sp2^",1,"σ",26)))
  12. chemical(a(25,"H ",o("1s",1,"σ",20)))
  13. chemical(a(20,"C ",o("sp2^",1,"σ",25)))
  14. chemical(a(24,"H ",o("1s",1,"σ",19)))
  15. chemical(a(19,"C ",o("sp2^",1,"σ",24)))
  16. chemical(a(23,"H ",o("1s",1,"σ",18)))
  17. chemical(a(18,"C ",o("sp2^",1,"σ",23)))
  18. chemical(a(22,"H ",o("1s",1,"σ",5)))
  19. chemical(a(5,"N ",o("sp2_5^",1,"σ",22)))
  20. chemical(a(21,"C ",o("sp2'",1,"σ",20)))
  21. chemical(a(20,"C ",o("sp2`",1,"σ",21)))
  22. chemical(a(20,"C ",o("sp2'",1,"σ",19)))
  23. chemical(a(19,"C ",o("sp2`",1,"σ",20)))
  24. chemical(a(19,"C ",o("sp2'",1,"σ",18)))
  25. chemical(a(18,"C ",o("sp2`",1,"σ",19)))
  26. chemical(a(18,"C ",o("sp2'",1,"σ",1)))
  27. chemical(a(1,"C ",o("sp2_5^",1,"σ",18)))
  28. chemical(a(17,"H ",o("1s",1,"σ",7)))
  29. chemical(a(7,"C ",o("sp3^",1,"σ",17)))
  30. chemical(a(16,"H ",o("1s",1,"σ",6)))
  31. chemical(a(6,"C ",o("sp3'",1,"σ",16)))
  32. chemical(a(15,"H ",o("1s",1,"σ",6)))
  33. chemical(a(6,"C ",o("sp3^",1,"σ",15)))
  34. chemical(a(14,"H ",o("1s",1,"σ",11)))
  35. chemical(a(11,"N ",o("sp3~",1,"σ",14)))
  36. chemical(a(13,"H ",o("1s",1,"σ",11)))
  37. chemical(a(11,"N ",o("sp3'",1,"σ",13)))
  38. chemical(a(12,"H ",o("1s",1,"σ",11)))
  39. chemical(a(11,"N ",o("sp3`",1,"σ",12)))
  40. chemical(a(11,"N ",o("sp3^",1,"σ",7)))
  41. chemical(a(7,"C ",o("sp3~",1,"σ",11)))
  42. chemical(a(10,"O ",o("3p(y)",1,"σ",8)))
  43. chemical(a(8,"C ",o("sp3^",1,"σ",10)))
  44. chemical(a(9,"O ",o("3p(y)",1,"σ",8)))
  45. chemical(a(8,"C ",o("sp3~",1,"σ",9)))
  46. chemical(a(8,"C ",o("sp3'",1,"σ",7)))
  47. chemical(a(7,"C ",o("sp3`",1,"σ",8)))
  48. chemical(a(7,"C ",o("sp3'",1,"σ",6)))
  49. chemical(a(6,"C ",o("sp3`",1,"σ",7)))
  50. chemical(a(6,"C ",o("sp3~",1,"σ",3)))
  51. chemical(a(3,"C ",o("sp2_5^",1,"σ",6)))
  52. chemical(a(1,"C ",o("sp2_5'",1,"σ",5)))
  53. chemical(a(5,"N ",o("sp2_5`",1,"σ",1)))
  54. chemical(a(5,"N ",o("sp2_5'",1,"σ",4)))
  55. chemical(a(4,"C ",o("sp2_5`",1,"σ",5)))
  56. chemical(a(4,"C ",o("sp2_5'",1,"σ",3)))
  57. chemical(a(3,"C ",o("sp2_5`",1,"σ",4)))
  58. chemical(a(3,"C ",o("sp2_5'",1,"σ",2)))
  59. chemical(a(2,"C ",o("sp2_5`",1,"σ",3)))
  60. chemical(a(2,"C ",o("sp2_5'",1,"σ",1)))
  61. chemical(a(1,"C ",o("sp2_5`",1,"σ",2)))
  62. atomlocation(26,l(-3516,-278,532,0.375,0,-1.985804064,0,3848),1)
  63. atomlocation(25,l(-5710,-278,-2189,0.375,0,-3.0329993711,0,3848),1)
  64. atomlocation(24,l(-4351,-278,-5276,0.375,0,-4.0801946819,0,3848),1)
  65. atomlocation(23,l(-997,-278,-5642,0.375,0,-5.1273899991,0,3848),1)
  66. atomlocation(22,l(2164,-278,-3940,0.375,0,-5.3367893839,0,3848),1)
  67. atomlocation(21,l(-2932,-278,-794,0.74,0,-0.93839937473,0,1290),1)
  68. atomlocation(20,l(-4269,-278,-2346,0.74,0,-1.9855946819,0,1290),1)
  69. atomlocation(19,l(-3494,-278,-4107,0.74,0,-3.0327899927,0,1290),1)
  70. atomlocation(18,l(-1581,-278,-4316,0.74,0,-4.0799853034,0,1290),1)
  71. atomlocation(17,l(2614,1313,1333,0.375,0.48196305364,-5.1155828662,0.059817460202,3848),1)
  72. atomlocation(16,l(445,-1684,2406,0.375,1.2307941265,-1.569062965,6.2819580724,3848),1)
  73. atomlocation(15,l(-767,428,2417,0.375,5.3358922891,-2.7443033326,6.0833659078,3848),1)
  74. atomlocation(14,l(4715,-162,2810,0.375,0.76202317947,-5.9424538355,0.086204816384,3848),1)
  75. atomlocation(13,l(3102,-1890,2682,0.375,5.1411486291,-4.2257982105,0.28956107854,3848),1)
  76. atomlocation(12,l(3429,-722,4715,0.375,0.082917409068,-1.5594208521,6.2827203216,3848),1)
  77. atomlocation(11,l(3413,-603,3271,0.74,0.41811364747,2.1231354035,6.0459169016,3596),1)
  78. atomlocation(10,l(675,2690,5429,0.7,0.17909788946,32.857710373,5.5118130044,269),1)
  79. atomlocation(9,l(641,2047,2367,0.7,2.0197753935,31.16110053,6.2695811628,269),1)
  80. atomlocation(8,l(1719,2078,3948,0.772,0.7741723373,31.154883719,0.0082972347843,1290),1)
  81. atomlocation(7,l(2087,666,2569,0.772,0.61007536815,32.604654228,5.8094909609,1290),1)
  82. atomlocation(6,l(444,-278,1909,0.772,3.4815935472,62.833602496,3.141590871,1290),1)
  83. atomlocation(5,l(1347,-278,-2806,0.7,0,-4.3983846883,0,3596),1)
  84. atomlocation(4,l(1909,-278,-1075,0.7,0,-5.654979999,0,1290),1)
  85. atomlocation(3,l(436,-278,-5,0.7,0,-0.62838999621,0,1290),1)
  86. atomlocation(2,l(-1037,-277,-1075,0.7,0,-1.8849853034,0,1290),1)
  87. atomlocation(1,l(-474,-278,-2806,0.7,6.2832,6.2832,6.2832,1290),1)
  88. commandactive("Files")
  89. viewshown("Top")
  90. grid(8)
  91. atom_count(27)
  92. valencelist(21,1,4)
  93. valencelist(20,1,4)
  94. valencelist(19,1,4)
  95. valencelist(18,1,4)
  96. valencelist(11,1,5)
  97. valencelist(8,1,4)
  98. valencelist(7,1,4)
  99. valencelist(6,1,4)
  100. valencelist(5,1,5)
  101. valencelist(4,1,4)
  102. valencelist(3,1,4)
  103. valencelist(2,1,4)
  104. valencelist(1,1,4)
  105.