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Text File  |  1992-08-16  |  1.7 KB  |  43 lines
  1. atomlocation(1,l(-2712,0,-3306,0.7,1,1,1,-21141),1)
  2. chemical(a(1,"C",o("sp3~",1,"σ",2)))
  3. chemical(a(1,"C",o("sp3'",1,"σ",11)))
  4. chemical(a(1,"C",o("sp3^",1,"σ",10)))
  5. chemical(a(1,"C",o("sp3`",1,"no",0)))
  6. atomlocation(2,l(-1642,0,-1837,0.7,1,1,1,-21141),1)
  7. chemical(a(2,"C",o("sp2_5^",1,"σ",1)))
  8. chemical(a(2,"C",o("2p(x)",1,"σ",6)))
  9. chemical(a(2,"C",o("sp2_5`",1,"σ",3)))
  10. chemical(a(2,"C",o("sp2_5'",1,"σ",6)))
  11. atomlocation(3,l(-2205,0,-134,0.7,1,1,1,-1024),1)
  12. chemical(a(3,"N",o("sp2_5^",1,"σ",12)))
  13. chemical(a(3,"N",o("sp2_5`",1,"σ",4)))
  14. chemical(a(3,"N",o("sp2_5'",1,"σ",2)))
  15. chemical(a(3,"N",o("2p(z)",1,"σ",4)))
  16. atomlocation(4,l(-732,0,923,0.7,1,1,1,-21141),1)
  17. chemical(a(4,"C",o("sp2_5^",1,"σ",8)))
  18. chemical(a(4,"C",o("2p(x)",1,"σ",3)))
  19. chemical(a(4,"C",o("sp2_5`",1,"σ",5)))
  20. chemical(a(4,"C",o("sp2_5'",1,"σ",3)))
  21. atomlocation(5,l(732,0,-134,0.7,1,1,1,-1024),1)
  22. chemical(a(5,"N",o("sp2_5^",1,"σ",7)))
  23. chemical(a(5,"N",o("sp2_5`",1,"σ",6)))
  24. chemical(a(5,"N",o("sp2_5'",1,"σ",4)))
  25. chemical(a(5,"N",o("2p(z)",2,"no",0)))
  26. atomlocation(6,l(170,0,-1841,0.7,1,1,1,-21141),1)
  27. chemical(a(6,"C",o("sp2_5^",1,"σ",9)))
  28. chemical(a(6,"C",o("2p(x)",1,"σ",2)))
  29. chemical(a(6,"C",o("sp2_5`",1,"σ",2)))
  30. chemical(a(6,"C",o("sp2_5'",1,"σ",5)))
  31. atomlocation(7,l(2063,0,285,0.375,1,1,1,-1),1)
  32. chemical(a(7,"H",o("1s",1,"σ",5)))
  33. atomlocation(8,l(-728,0,2321,0.375,1,1,1,-1),1)
  34. chemical(a(8,"H",o("1s",1,"σ",4)))
  35. atomlocation(9,l(995,0,-2972,0.375,1,1,1,-1),1)
  36. chemical(a(9,"H",o("1s",1,"σ",6)))
  37. atomlocation(10,l(-3518,1141,-3293,0.375,1,1,1,-1),1)
  38. chemical(a(10,"H",o("1s",1,"σ",1)))
  39. atomlocation(11,l(-1919,0,-4457,0.375,1,1,1,-1),1)
  40. chemical(a(11,"H",o("1s",1,"σ",1)))
  41. atomlocation(12,l(-3531,0,285,0.375,1,1,1,-1),1)
  42. chemical(a(12,"H",o("1s",1,"σ",3)))
  43.