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C5H5O2N.DAT
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1988-10-09
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2KB
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43 lines
chemical_name("Methyl Cyanoarylate (Super Glue)")
chemical(a(13,"H ",o("1s",1,"σ",1)))
chemical(a(1,"C ",o("sp2'",1,"σ",13)))
chemical(a(12,"H ",o("1s",1,"σ",1)))
chemical(a(1,"C ",o("sp2^",1,"σ",12)))
chemical(a(11,"H ",o("1s",1,"σ",8)))
chemical(a(8,"C ",o("sp3'",1,"σ",11)))
chemical(a(10,"H ",o("1s",1,"σ",8)))
chemical(a(8,"C ",o("sp3`",1,"σ",10)))
chemical(a(9,"H ",o("1s",1,"σ",8)))
chemical(a(8,"C ",o("sp3^",1,"σ",9)))
chemical(a(8,"C ",o("sp3~",1,"σ",7)))
chemical(a(7,"O ",o("2p(z)",1,"σ",8)))
chemical(a(7,"O ",o("2p(y)",1,"σ",3)))
chemical(a(3,"C ",o("sp2`",1,"σ",7)))
chemical(a(6,"O ",o("2p(y)",1,"σ",3)))
chemical(a(3,"C ",o("sp2^",1,"σ",6)))
chemical(a(5,"N ",o("2p(x)",1,"σ",4)))
chemical(a(4,"C ",o("sp`",1,"σ",5)))
chemical(a(4,"C ",o("sp'",1,"σ",2)))
chemical(a(2,"C ",o("sp2^",1,"σ",4)))
chemical(a(3,"C ",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,"C ",o("sp2`",1,"σ",2)))
atomlocation(1,l(-56,0,-2910,0.74,0,0,0,1290),1)
atomlocation(2,l(-1018,0,-1244,0.74,0,0,0,1290),1)
atomlocation(3,l(-56,0,422,0.74,0,0,0,1290),1)
atomlocation(4,l(-2878,0,-1244,0.691,0,0,0,1290),1)
atomlocation(5,l(-4686,0,-1244,0.7,0,0,0,3596),1)
atomlocation(6,l(-992,0,2043,0.7,0,0,0,269),1)
atomlocation(7,l(1816,0,422,0.7,0,0,0,269),1)
atomlocation(8,l(1816,0,2336,0.772,0,0,0,1290),1)
atomlocation(9,l(3033,-703,2833,0.375,0,0,0,3848),1)
atomlocation(10,l(599,-703,2833,0.375,0,0,0,3848),1)
atomlocation(11,l(1816,1406,2833,0.375,0,0,0,3848),1)
atomlocation(12,l(-781,0,-4165,0.375,0,0,0,3848),1)
atomlocation(13,l(1393,0,-2910,0.375,0,0,0,3848),1)
commandactive("Files")
viewshown("Top")
grid(8)
atom_count(14)