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URATE.DAT
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1988-10-09
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2KB
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53 lines
chemical_name("Urate")
chemical(a(15,"O ",o("2p(y)",1,"σ",6)))
chemical(a(6,"C ",o("sp2^",1,"σ",15)))
chemical(a(14,"O ",o("2p(y)",1,"σ",2)))
chemical(a(2,"C ",o("sp2^",1,"σ",14)))
chemical(a(13,"H ",o("1s",1,"σ",3)))
chemical(a(3,"N ",o("sp2^",1,"σ",13)))
chemical(a(12,"H ",o("1s",1,"σ",1)))
chemical(a(1,"N ",o("sp2^",1,"σ",12)))
chemical(a(11,"O ",o("2p(y)",1,"σ",8)))
chemical(a(8,"C ",o("sp2_5^",1,"σ",11)))
chemical(a(10,"H ",o("1s",1,"σ",7)))
chemical(a(7,"N ",o("sp2_5^",1,"σ",10)))
chemical(a(9,"N ",o("sp2_5`",1,"σ",5)))
chemical(a(5,"C ",o("sp2^",1,"σ",9)))
chemical(a(9,"N ",o("sp2_5'",1,"σ",8)))
chemical(a(8,"C ",o("sp2_5`",1,"σ",9)))
chemical(a(8,"C ",o("sp2_5'",1,"σ",7)))
chemical(a(7,"N ",o("sp2_5`",1,"σ",8)))
chemical(a(7,"N ",o("sp2_5'",1,"σ",4)))
chemical(a(4,"C ",o("sp2^",1,"σ",7)))
chemical(a(6,"C ",o("sp2`",1,"σ",1)))
chemical(a(1,"N ",o("sp2'",1,"σ",6)))
chemical(a(6,"C ",o("sp2'",1,"σ",5)))
chemical(a(5,"C ",o("sp2`",1,"σ",6)))
chemical(a(5,"C ",o("sp2'",1,"σ",4)))
chemical(a(4,"C ",o("sp2`",1,"σ",5)))
chemical(a(4,"C ",o("sp2'",1,"σ",3)))
chemical(a(3,"N ",o("sp2`",1,"σ",4)))
chemical(a(3,"N ",o("sp2'",1,"σ",2)))
chemical(a(2,"C ",o("sp2`",1,"σ",3)))
chemical(a(2,"C ",o("sp2'",1,"σ",1)))
chemical(a(1,"N ",o("sp2`",1,"σ",2)))
atomlocation(1,l(-1744,0,-2334,0.727,0,0,0,3596),1)
atomlocation(2,l(-2698,0,-682,0.74,0,0,0,1290),1)
atomlocation(3,l(-1744,0,970,0.727,0,0,0,3596),1)
atomlocation(4,l(163,0,970,0.74,0,0,0,1290),1)
atomlocation(5,l(1125,0,-696,0.74,0,0,0,1290),1)
atomlocation(6,l(163,0,-2362,0.74,0,0,0,1290),1)
atomlocation(7,l(1402,0,2373,0.7,0,0,0,3596),1)
atomlocation(8,l(3072,0,1649,0.7,0,0,0,1290),1)
atomlocation(9,l(2899,0,-163,0.7,0,0,0,3596),1)
atomlocation(10,l(1104,0,3738,0.375,0,0,0,3848),1)
atomlocation(11,l(4643,0,2568,0.7,0,0,0,269),1)
atomlocation(12,l(-2460,0,-3575,0.375,0,0,0,3848),1)
atomlocation(13,l(-2461,0,2211,0.375,0,0,0,3848),1)
atomlocation(14,l(-4570,0,-682,0.7,0,0,0,269),1)
atomlocation(15,l(1099,0,-3983,0.7,0,0,0,269),1)
commandactive("Files")
viewshown("Top")
grid(8)
atom_count(16)