home *** CD-ROM | disk | FTP | other *** search
/ Explore the World of Soft…ids, Adults, Educational / RocelcoInc-ExploreTheWorldOfSoftware-KidsAdultsEducational-Vol2-Shareware.iso / educate / disk150 / niacin.dat < prev    next >
Encoding:
CHEMICAL molecule Data  |  1988-10-09  |  1.9 KB  |  48 lines
  1. chemical_name("Niacin (Vitamin)")
  2. chemical(a(14,"H",o("1s",1,"σ",5)))
  3. chemical(a(5,"C",o("sp2^",1,"σ",14)))
  4. chemical(a(13,"H",o("1s",1,"σ",4)))
  5. chemical(a(4,"C",o("sp2^",1,"σ",13)))
  6. chemical(a(12,"H",o("1s",1,"σ",3)))
  7. chemical(a(3,"C",o("sp2^",1,"σ",12)))
  8. chemical(a(11,"H",o("1s",1,"σ",1)))
  9. chemical(a(1,"C",o("sp2`",1,"σ",11)))
  10. chemical(a(10,"H",o("1s",1,"σ",9)))
  11. chemical(a(9,"O",o("sp`",1,"σ",10)))
  12. chemical(a(9,"O",o("sp'",1,"σ",7)))
  13. chemical(a(7,"C",o("sp2^",1,"σ",9)))
  14. chemical(a(8,"O",o("3p(y)",1,"σ",7)))
  15. chemical(a(7,"C",o("sp2`",1,"σ",8)))
  16. chemical(a(7,"C",o("sp2'",1,"σ",2)))
  17. chemical(a(2,"C",o("sp2^",1,"σ",7)))
  18. chemical(a(1,"C",o("sp2^",1,"σ",6)))
  19. chemical(a(6,"N",o("sp2`",1,"σ",1)))
  20. chemical(a(6,"N",o("sp2'",1,"σ",5)))
  21. chemical(a(5,"C",o("sp2`",1,"σ",6)))
  22. chemical(a(5,"C",o("sp2'",1,"σ",4)))
  23. chemical(a(4,"C",o("sp2`",1,"σ",5)))
  24. chemical(a(4,"C",o("sp2'",1,"σ",3)))
  25. chemical(a(3,"C",o("sp2`",1,"σ",4)))
  26. chemical(a(3,"C",o("sp2'",1,"σ",2)))
  27. chemical(a(2,"C",o("sp2`",1,"σ",3)))
  28. chemical(a(2,"C",o("sp2'",1,"σ",1)))
  29. chemical(a(1,"C",o("sp2'",1,"σ",2)))
  30. atomlocation(1,l(-1473,0,539,0.691,0,0,0,1290),1)
  31. atomlocation(2,l(325,0,539,0.691,0,0,0,1290),1)
  32. atomlocation(3,l(1223,0,-1016,0.691,0,0,0,1290),1)
  33. atomlocation(4,l(325,0,-2573,0.691,0,0,0,1290),1)
  34. atomlocation(5,l(-1472,0,-2573,0.691,0,0,0,1290),1)
  35. atomlocation(6,l(-2396,0,-973,0.73,0,0,0,3596),1)
  36. atomlocation(7,l(1223,0,2095,0.691,0,0,0,1290),1)
  37. atomlocation(8,l(1689,1617,2903,0.745,0,0,0,269),1)
  38. atomlocation(9,l(1690,-1616,2904,0.745,0,0,0,269),1)
  39. atomlocation(10,l(2054,-2877,3535,0.375,0,0,0,3848),1)
  40. atomlocation(11,l(-2166,0,1739,0.375,0,0,0,3848),1)
  41. atomlocation(12,l(2609,0,-1017,0.375,0,0,0,3848),1)
  42. atomlocation(13,l(1018,0,-3773,0.375,0,0,0,3848),1)
  43. atomlocation(14,l(-2165,0,-3773,0.375,0,0,0,3848),1)
  44. commandactive("Files")
  45. viewshown("Top")
  46. grid(8)
  47. atom_count(15)
  48.