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Text File  |  1987-07-19  |  2KB  |  47 lines
  1. chemical_name("Cyclopentane")
  2. chemical(a(15,"H",o("1s",1,"σ",5)))
  3. chemical(a(5,"C",o("sp3_5'",1,"σ",15)))
  4. chemical(a(14,"H",o("1s",1,"σ",4)))
  5. chemical(a(4,"C",o("sp3_5'",1,"σ",14)))
  6. chemical(a(13,"H",o("1s",1,"σ",3)))
  7. chemical(a(3,"C",o("sp3_5'",1,"σ",13)))
  8. chemical(a(12,"H",o("1s",1,"σ",2)))
  9. chemical(a(2,"C",o("sp3_5'",1,"σ",12)))
  10. chemical(a(11,"H",o("1s",1,"σ",1)))
  11. chemical(a(1,"C",o("sp3_5'",1,"σ",11)))
  12. chemical(a(10,"H",o("1s",1,"σ",5)))
  13. chemical(a(5,"C",o("sp3_5`",1,"σ",10)))
  14. chemical(a(9,"H",o("1s",1,"σ",4)))
  15. chemical(a(4,"C",o("sp3_5`",1,"σ",9)))
  16. chemical(a(8,"H",o("1s",1,"σ",3)))
  17. chemical(a(3,"C",o("sp3_5`",1,"σ",8)))
  18. chemical(a(7,"H",o("1s",1,"σ",2)))
  19. chemical(a(2,"C",o("sp3_5`",1,"σ",7)))
  20. chemical(a(6,"H",o("1s",1,"σ",1)))
  21. chemical(a(1,"C",o("sp3_5`",1,"σ",6)))
  22. chemical(a(1,"C",o("sp3_5~",1,"σ",5)))
  23. chemical(a(5,"C",o("sp3_5^",1,"σ",1)))
  24. chemical(a(5,"C",o("sp3_5~",1,"σ",4)))
  25. chemical(a(4,"C",o("sp3_5^",1,"σ",5)))
  26. chemical(a(4,"C",o("sp3_5~",1,"σ",3)))
  27. chemical(a(3,"C",o("sp3_5^",1,"σ",4)))
  28. chemical(a(3,"C",o("sp3_5~",1,"σ",2)))
  29. chemical(a(2,"C",o("sp3_5^",1,"σ",3)))
  30. chemical(a(2,"C",o("sp3_5~",1,"σ",1)))
  31. chemical(a(1,"C",o("sp3_5^",1,"σ",2)))
  32. atomlocation(1,l(12600,12600,12600,0.7,0,0,0,4),1)
  33. atomlocation(2,l(12038,12600,14331,0.7,0,-1.8849999964,0,4),1)
  34. atomlocation(3,l(13510,12600,15401,0.7,0,-0.62840468923,0,4),1)
  35. atomlocation(4,l(14983,12600,14331,0.7,0,-5.6549946921,0,4),1)
  36. atomlocation(5,l(14421,12600,12600,0.7,0,-4.3983993813,0,4),1)
  37. atomlocation(6,l(12013,13583,11799,0.375,0.88675127833,-4.0799999964,6.0643656814,1),1)
  38. atomlocation(7,l(11094,11617,14642,0.375,1.2645042849,-2.8234046856,0.50144797626,1),1)
  39. atomlocation(8,l(13514,11617,16394,0.375,0.78000219471,-1.5668093821,6.2815446987,1),1)
  40. atomlocation(9,l(15929,11617,14634,0.375,1.2714884275,-0.31021407769,5.7759712555,1),1)
  41. atomlocation(10,l(15002,11617,11794,0.375,5.3992717899,-5.3368040769,6.066755082,1),1)
  42. atomlocation(11,l(12013,11617,11799,0.375,5.3964322527,-4.0799999964,0.21881784958,1),1)
  43. atomlocation(12,l(11094,13583,14642,0.375,5.0186774671,-2.8234046856,5.781735555,1),1)
  44. atomlocation(13,l(13514,13583,16394,0.375,5.5031795573,-1.5668093821,0.0016388322664,1),1)
  45. atomlocation(14,l(15929,13583,14634,0.375,5.0116933245,-0.31021407769,0.50721227529,1),1)
  46. atomlocation(15,l(15002,13583,11794,0.375,0.88391174112,-5.3368040769,0.21642844899,1),1)
  47.