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CH3COOH.DAT
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1988-06-26
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1KB
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30 lines
chemical_name("CH3COOH")
chemical(a(8,"H ",o("1s",1,"σ",7)))
chemical(a(7,"O ",o("3p(z)",1,"σ",8)))
chemical(a(7,"O ",o("3p(y)",1,"σ",5)))
chemical(a(5,"C ",o("sp2'",1,"σ",7)))
chemical(a(6,"O ",o("3p(y)",1,"σ",5)))
chemical(a(5,"C ",o("sp2^",1,"σ",6)))
chemical(a(5,"C ",o("sp2`",1,"σ",1)))
chemical(a(1,"C ",o("sp3'",1,"σ",5)))
chemical(a(4,"H ",o("1s",1,"σ",1)))
chemical(a(1,"C ",o("sp3`",1,"σ",4)))
chemical(a(3,"H ",o("1s",1,"σ",1)))
chemical(a(1,"C ",o("sp3^",1,"σ",3)))
chemical(a(2,"H ",o("1s",1,"σ",1)))
chemical(a(1,"C ",o("sp3~",1,"σ",2)))
atomlocation(8,l(-1419,1754,1222,0.375,0,-1.57079633,0,3848),1)
atomlocation(7,l(-1419,1754,-175,0.7,0,28.27433389,1.0471882238,269),1)
atomlocation(6,l(1823,1754,-175,0.7,0,31.41592654,5.2361882266,269),1)
atomlocation(5,l(202,818,-175,0.74,4.712387201,62.83185308,5.7595816368,1290),1)
atomlocation(4,l(1422,-1645,523,0.375,0.61868654271,-0.51997821429,6.2167347896,3848),1)
atomlocation(3,l(-1010,-1645,538,0.375,0.60928883931,-2.609987149,0.064796236593,3848),1)
atomlocation(2,l(199,-1645,-1581,0.375,5.9431972842,-4.7099905132,0.00041168711003,3848),1)
atomlocation(1,l(202,-1148,-175,0.772,6.2832,6.2832,6.2832,1290),1)
commandactive("Files")
viewshown("Fnt")
grid(8)
atom_count(9)
valencelist(5,1,4)
valencelist(1,1,4)