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Text File  |  1992-08-16  |  1KB  |  29 lines
  1. atomlocation(1,l(0,0,0,0.7,1,1,1,-21141),1)
  2. chemical(a(1,"C",o("sp3~",1,"no",0)))
  3. chemical(a(1,"C",o("sp3'",1,"σ",3)))
  4. chemical(a(1,"C",o("sp3^",1,"σ",2)))
  5. chemical(a(1,"C",o("sp3`",1,"σ",4)))
  6. atomlocation(2,l(-1458,-578,858,0.7,1,1,1,-21141),1)
  7. chemical(a(2,"C",o("sp2^",1,"σ",1)))
  8. chemical(a(2,"C",o("2p(x)",1,"σ",5)))
  9. chemical(a(2,"C",o("sp2`",1,"σ",6)))
  10. chemical(a(2,"C",o("sp2'",1,"σ",5)))
  11. atomlocation(3,l(0,1398,0,0.375,1,1,1,-1),1)
  12. chemical(a(3,"H",o("1s",1,"σ",1)))
  13. atomlocation(4,l(1141,-455,659,0.375,1,1,1,-1),1)
  14. chemical(a(4,"H",o("1s",1,"σ",1)))
  15. atomlocation(5,l(-3059,101,361,0.7,1,1,1,-32737),1)
  16. chemical(a(5,"O",o("2s",2,"no",0)))
  17. chemical(a(5,"O",o("2p(x)",1,"σ",2)))
  18. chemical(a(5,"O",o("2p(y)",1,"σ",2)))
  19. chemical(a(5,"O",o("2p(z)",2,"no",0)))
  20. atomlocation(6,l(-1371,-1768,2231,0.7,1,1,1,-1024),1)
  21. chemical(a(6,"N",o("sp2^",1,"σ",7)))
  22. chemical(a(6,"N",o("sp2`",1,"σ",8)))
  23. chemical(a(6,"N",o("sp2'",1,"σ",2)))
  24. chemical(a(6,"N",o("2p(z)",2,"no",0)))
  25. atomlocation(7,l(-2546,-2247,2813,0.375,1,1,1,-1),1)
  26. chemical(a(7,"H",o("1s",1,"σ",6)))
  27. atomlocation(8,l(-130,-2203,2701,0.375,1,1,1,-1),1)
  28. chemical(a(8,"H",o("1s",1,"σ",6)))
  29.