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CHEMICAL molecule Data  |  1988-06-26  |  2.8 KB  |  61 lines
  1. chemical_name("Proline  (Amino Acid)")
  2. chemical(a(16,"H ",o("1s",1,"σ",5)))
  3. chemical(a(5,"N ",o("sp3_5~",1,"σ",16)))
  4. chemical(a(15,"H ",o("1s",1,"σ",5)))
  5. chemical(a(5,"N ",o("sp3_5^",1,"σ",15)))
  6. chemical(a(8,"O ",o("3p(y)",1,"σ",6)))
  7. chemical(a(6,"C ",o("sp2'",1,"σ",8)))
  8. chemical(a(7,"O ",o("3p(y)",1,"σ",6)))
  9. chemical(a(6,"C ",o("sp2`",1,"σ",7)))
  10. chemical(a(6,"C ",o("sp2^",1,"σ",4)))
  11. chemical(a(4,"C ",o("sp3_5~",1,"σ",6)))
  12. chemical(a(14,"H ",o("1s",1,"σ",3)))
  13. chemical(a(3,"C ",o("sp3_5^",1,"σ",14)))
  14. chemical(a(13,"H ",o("1s",1,"σ",3)))
  15. chemical(a(3,"C ",o("sp3_5~",1,"σ",13)))
  16. chemical(a(12,"H ",o("1s",1,"σ",2)))
  17. chemical(a(2,"C ",o("sp3_5^",1,"σ",12)))
  18. chemical(a(11,"H ",o("1s",1,"σ",2)))
  19. chemical(a(2,"C ",o("sp3_5~",1,"σ",11)))
  20. chemical(a(10,"H ",o("1s",1,"σ",1)))
  21. chemical(a(1,"C ",o("sp3_5^",1,"σ",10)))
  22. chemical(a(9,"H ",o("1s",1,"σ",1)))
  23. chemical(a(1,"C ",o("sp3_5~",1,"σ",9)))
  24. chemical(a(5,"N ",o("sp3_5`",1,"σ",1)))
  25. chemical(a(1,"C ",o("sp3_5'",1,"σ",5)))
  26. chemical(a(5,"N ",o("sp3_5'",1,"σ",4)))
  27. chemical(a(4,"C ",o("sp3_5`",1,"σ",5)))
  28. chemical(a(4,"C ",o("sp3_5'",1,"σ",3)))
  29. chemical(a(3,"C ",o("sp3_5`",1,"σ",4)))
  30. chemical(a(3,"C ",o("sp3_5'",1,"σ",2)))
  31. chemical(a(2,"C ",o("sp3_5`",1,"σ",3)))
  32. chemical(a(2,"C ",o("sp3_5'",1,"σ",1)))
  33. chemical(a(1,"C ",o("sp3_5`",1,"σ",2)))
  34. atomlocation(16,l(1211,666,-2149,0.375,0.88390654976,-5.3367893839,0.21642405286,3848),1)
  35. atomlocation(15,l(1211,-1300,-2149,0.375,5.3992769812,-5.3367893839,6.0667594781,3848),1)
  36. atomlocation(14,l(-277,-1300,2451,0.375,0.78000222405,-1.566794689,6.2815386593,3848),1)
  37. atomlocation(13,l(-277,666,2451,0.375,5.5031795279,-1.566794689,0.0016448716701,3848),1)
  38. atomlocation(12,l(-2697,-1300,699,0.375,1.2644914605,-2.8233899926,0.50143741853,3848),1)
  39. atomlocation(11,l(-2697,666,699,0.375,5.0186902915,-2.8233899926,5.7817461127,3848),1)
  40. atomlocation(10,l(-1778,666,-2144,0.375,0.8867669447,-4.0799649878,6.0643536483,3848),1)
  41. atomlocation(9,l(-1778,-1300,-2144,0.375,5.3964373727,-4.0800056189,0.21881463595,3848),1)
  42. atomlocation(8,l(1950,2702,805,0.7,0.014343469664,29.898828652,0.24647199441,269),1)
  43. atomlocation(7,l(4117,468,1151,0.7,2.4907807814,32.772070355,0.65230269546,269),1)
  44. atomlocation(6,l(2416,955,780,0.691,1.8700895294,62.885554542,4.9735410168,1290),1)
  45. atomlocation(5,l(630,-317,-1343,0.7,0,-4.3983846883,0,3596),1)
  46. atomlocation(4,l(1192,-317,388,0.7,0,-5.654979999,0,1290),1)
  47. atomlocation(3,l(-281,-317,1458,0.7,0,-0.62838999621,0,1290),1)
  48. atomlocation(2,l(-1753,-317,388,0.7,0,-1.8849853034,0,1290),1)
  49. atomlocation(1,l(-1191,-317,-1343,0.7,6.2832,6.2832,6.2832,1290),1)
  50. commandactive("Files")
  51. viewshown("Top")
  52. grid(8)
  53. number(1)
  54. atom_count(17)
  55. valencelist(6,1,4)
  56. valencelist(5,1,5)
  57. valencelist(4,1,4)
  58. valencelist(3,1,4)
  59. valencelist(2,1,4)
  60. valencelist(1,1,4)
  61.