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Text File  |  1992-08-16  |  2KB  |  55 lines
  1. atomlocation(1,l(556,-3770,-648,0.7,1,1,1,-21141),1)
  2. chemical(a(1,"C",o("sp3~",1,"σ",3)))
  3. chemical(a(1,"C",o("sp3'",1,"σ",13)))
  4. chemical(a(1,"C",o("sp3^",1,"σ",14)))
  5. chemical(a(1,"C",o("sp3`",1,"no",0)))
  6. atomlocation(2,l(562,-1042,-2223,0.7,1,1,1,-21141),1)
  7. chemical(a(2,"C",o("sp2^",1,"σ",12)))
  8. chemical(a(2,"C",o("2p(x)",1,"σ",3)))
  9. chemical(a(2,"C",o("sp2`",1,"σ",3)))
  10. chemical(a(2,"C",o("sp2'",1,"σ",7)))
  11. atomlocation(3,l(556,-1950,-650,0.7,1,1,1,-21141),1)
  12. chemical(a(3,"C",o("sp2^",1,"σ",1)))
  13. chemical(a(3,"C",o("2p(x)",1,"σ",2)))
  14. chemical(a(3,"C",o("sp2`",1,"σ",4)))
  15. chemical(a(3,"C",o("sp2'",1,"σ",2)))
  16. atomlocation(4,l(556,-1038,891,0.7,1,1,1,-21141),1)
  17. chemical(a(4,"C",o("sp2^",1,"σ",8)))
  18. chemical(a(4,"C",o("2p(x)",1,"σ",5)))
  19. chemical(a(4,"C",o("sp2`",1,"σ",5)))
  20. chemical(a(4,"C",o("sp2'",1,"σ",3)))
  21. atomlocation(5,l(555,748,893,0.7,1,1,1,-21141),1)
  22. chemical(a(5,"C",o("sp2^",1,"σ",9)))
  23. chemical(a(5,"C",o("2p(x)",1,"σ",4)))
  24. chemical(a(5,"C",o("sp2`",1,"σ",6)))
  25. chemical(a(5,"C",o("sp2'",1,"σ",4)))
  26. atomlocation(6,l(553,1658,-645,0.7,1,1,1,-21141),1)
  27. chemical(a(6,"C",o("sp2^",1,"σ",15)))
  28. chemical(a(6,"C",o("2p(x)",1,"σ",7)))
  29. chemical(a(6,"C",o("sp2`",1,"σ",7)))
  30. chemical(a(6,"C",o("sp2'",1,"σ",5)))
  31. atomlocation(7,l(553,748,-2218,0.7,1,1,1,-21141),1)
  32. chemical(a(7,"C",o("sp2^",1,"σ",11)))
  33. chemical(a(7,"C",o("2p(x)",1,"σ",6)))
  34. chemical(a(7,"C",o("sp2`",1,"σ",2)))
  35. chemical(a(7,"C",o("sp2'",1,"σ",6)))
  36. atomlocation(8,l(551,-1729,2083,0.375,1,1,1,-1),1)
  37. chemical(a(8,"H",o("1s",1,"σ",4)))
  38. atomlocation(9,l(554,1448,2088,0.375,1,1,1,-1),1)
  39. chemical(a(9,"H",o("1s",1,"σ",5)))
  40. atomlocation(10,l(857,3951,624,0.375,1,1,1,-1),1)
  41. chemical(a(10,"H",o("1s",1,"σ",15)))
  42. atomlocation(11,l(550,1451,-3427,0.375,1,1,1,-1),1)
  43. chemical(a(11,"H",o("1s",1,"σ",7)))
  44. atomlocation(12,l(556,-1737,-3432,0.375,1,1,1,-1),1)
  45. chemical(a(12,"H",o("1s",1,"σ",2)))
  46. atomlocation(13,l(554,-4227,-1963,0.375,1,1,1,-1),1)
  47. chemical(a(13,"H",o("1s",1,"σ",1)))
  48. atomlocation(14,l(-546,-4233,0,0.375,1,1,1,-1),1)
  49. chemical(a(14,"H",o("1s",1,"σ",1)))
  50. atomlocation(15,l(550,3487,-639,0.7,1,1,1,-32737),1)
  51. chemical(a(15,"O",o("sp3~",2,"no",0)))
  52. chemical(a(15,"O",o("sp3^",2,"no",0)))
  53. chemical(a(15,"O",o("sp3`",1,"σ",6)))
  54. chemical(a(15,"O",o("sp3'",1,"σ",10)))
  55.