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LACTIC.DAT
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1988-06-26
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6KB
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131 lines
chemical_name("Lactic Acid")
chemical(a(12,"H ",o("1s",1,"σ",11)))
chemical(a(11,"O ",o("sp'",1,"σ",12)))
chemical(a(11,"O ",o("sp`",1,"σ",9)))
chemical(a(9,"C ",o("sp2'",1,"σ",11)))
chemical(a(10,"O ",o("3p(y)",1,"σ",9)))
chemical(a(9,"C ",o("sp2`",1,"σ",10)))
chemical(a(8,"H ",o("1s",1,"σ",5)))
chemical(a(5,"C ",o("sp3'",1,"σ",8)))
chemical(a(7,"H ",o("1s",1,"σ",6)))
chemical(a(6,"O ",o("sp'",1,"σ",7)))
chemical(a(9,"C ",o("sp2^",1,"σ",5)))
chemical(a(5,"C ",o("sp3`",1,"σ",9)))
chemical(a(6,"O ",o("sp`",1,"σ",5)))
chemical(a(5,"C ",o("sp3^",1,"σ",6)))
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)))
chemical(a(5,"C ",o("sp3~",1,"σ",1)))
chemical(a(1,"C ",o("sp3~",1,"σ",5)))
chemical(a(1,"C ",o("3d(a)",0,"no",0)))
chemical(a(1,"C ",o("3d(b)",0,"no",0)))
chemical(a(1,"C ",o("3d(c)",0,"no",0)))
chemical(a(1,"C ",o("3d(d)",0,"no",0)))
chemical(a(1,"C ",o("3d(e)",0,"no",0)))
chemical(a(2,"H ",o("2p(x)",0,"no",0)))
chemical(a(2,"H ",o("2p(y)",0,"no",0)))
chemical(a(2,"H ",o("2p(z)",0,"no",0)))
chemical(a(2,"H ",o("3d(a)",0,"no",0)))
chemical(a(2,"H ",o("3d(b)",0,"no",0)))
chemical(a(2,"H ",o("3d(c)",0,"no",0)))
chemical(a(2,"H ",o("3d(d)",0,"no",0)))
chemical(a(2,"H ",o("3d(e)",0,"no",0)))
chemical(a(3,"H ",o("2p(x)",0,"no",0)))
chemical(a(3,"H ",o("2p(y)",0,"no",0)))
chemical(a(3,"H ",o("2p(z)",0,"no",0)))
chemical(a(3,"H ",o("3d(a)",0,"no",0)))
chemical(a(3,"H ",o("3d(b)",0,"no",0)))
chemical(a(3,"H ",o("3d(c)",0,"no",0)))
chemical(a(3,"H ",o("3d(d)",0,"no",0)))
chemical(a(3,"H ",o("3d(e)",0,"no",0)))
chemical(a(4,"H ",o("2p(x)",0,"no",0)))
chemical(a(4,"H ",o("2p(y)",0,"no",0)))
chemical(a(4,"H ",o("2p(z)",0,"no",0)))
chemical(a(4,"H ",o("3d(a)",0,"no",0)))
chemical(a(4,"H ",o("3d(b)",0,"no",0)))
chemical(a(4,"H ",o("3d(c)",0,"no",0)))
chemical(a(4,"H ",o("3d(d)",0,"no",0)))
chemical(a(4,"H ",o("3d(e)",0,"no",0)))
chemical(a(5,"C ",o("3d(a)",0,"no",0)))
chemical(a(5,"C ",o("3d(b)",0,"no",0)))
chemical(a(5,"C ",o("3d(c)",0,"no",0)))
chemical(a(5,"C ",o("3d(d)",0,"no",0)))
chemical(a(5,"C ",o("3d(e)",0,"no",0)))
chemical(a(6,"O ",o("3d(a)",0,"no",0)))
chemical(a(6,"O ",o("3d(b)",0,"no",0)))
chemical(a(6,"O ",o("3d(c)",0,"no",0)))
chemical(a(6,"O ",o("3d(d)",0,"no",0)))
chemical(a(6,"O ",o("3d(e)",0,"no",0)))
chemical(a(7,"H ",o("2p(x)",0,"no",0)))
chemical(a(7,"H ",o("2p(y)",0,"no",0)))
chemical(a(7,"H ",o("2p(z)",0,"no",0)))
chemical(a(7,"H ",o("3d(a)",0,"no",0)))
chemical(a(7,"H ",o("3d(b)",0,"no",0)))
chemical(a(7,"H ",o("3d(c)",0,"no",0)))
chemical(a(7,"H ",o("3d(d)",0,"no",0)))
chemical(a(7,"H ",o("3d(e)",0,"no",0)))
chemical(a(8,"H ",o("2p(x)",0,"no",0)))
chemical(a(8,"H ",o("2p(y)",0,"no",0)))
chemical(a(8,"H ",o("2p(z)",0,"no",0)))
chemical(a(8,"H ",o("3d(a)",0,"no",0)))
chemical(a(8,"H ",o("3d(b)",0,"no",0)))
chemical(a(8,"H ",o("3d(c)",0,"no",0)))
chemical(a(8,"H ",o("3d(d)",0,"no",0)))
chemical(a(8,"H ",o("3d(e)",0,"no",0)))
chemical(a(9,"C ",o("3d(a)",0,"no",0)))
chemical(a(9,"C ",o("3d(b)",0,"no",0)))
chemical(a(9,"C ",o("3d(c)",0,"no",0)))
chemical(a(9,"C ",o("3d(d)",0,"no",0)))
chemical(a(9,"C ",o("3d(e)",0,"no",0)))
chemical(a(10,"O ",o("2s",2,"no",0)))
chemical(a(10,"O ",o("3p(x)",2,"no",0)))
chemical(a(10,"O ",o("3p(z)",1,"no",0)))
chemical(a(10,"O ",o("3d(a)",0,"no",0)))
chemical(a(10,"O ",o("3d(b)",0,"no",0)))
chemical(a(10,"O ",o("3d(c)",0,"no",0)))
chemical(a(10,"O ",o("3d(d)",0,"no",0)))
chemical(a(10,"O ",o("3d(e)",0,"no",0)))
chemical(a(11,"O ",o("3d(a)",0,"no",0)))
chemical(a(11,"O ",o("3d(b)",0,"no",0)))
chemical(a(11,"O ",o("3d(c)",0,"no",0)))
chemical(a(11,"O ",o("3d(d)",0,"no",0)))
chemical(a(11,"O ",o("3d(e)",0,"no",0)))
chemical(a(12,"H ",o("2p(x)",0,"no",0)))
chemical(a(12,"H ",o("2p(y)",0,"no",0)))
chemical(a(12,"H ",o("2p(z)",0,"no",0)))
chemical(a(12,"H ",o("3d(a)",0,"no",0)))
chemical(a(12,"H ",o("3d(b)",0,"no",0)))
chemical(a(12,"H ",o("3d(c)",0,"no",0)))
chemical(a(12,"H ",o("3d(d)",0,"no",0)))
chemical(a(12,"H ",o("3d(e)",0,"no",0)))
chemical(a(6,"O ",o("3p(x)",2,"no",0)))
chemical(a(6,"O ",o("3p(z)",2,"no",0)))
chemical(a(9,"C ",o("3p(z)",1,"no",0)))
chemical(a(11,"O ",o("3p(x)",2,"no",0)))
chemical(a(11,"O ",o("3p(z)",2,"no",0)))
atomlocation(12,l(-3535,-942,-376,0.375,1.1675200878,-2.9544414234,0.24527155296,3848),1)
atomlocation(11,l(-2417,-446,-588,0.58,0.9593608488,0.30165288384,0.16824723527,269),1)
atomlocation(10,l(-887,1388,-2400,0.7,5.43074564,25.075837272,6.2830729575,269),1)
atomlocation(9,l(-964,199,-1040,0.691,0.61868072481,63.133503616,0.40084226246,1290),1)
atomlocation(8,l(506,-1786,-198,0.375,1.57079633,0,4.712387211,3848),1)
atomlocation(7,l(2894,580,-1504,0.375,0.69313957884,-5.8243050006,0.08364049744,3848),1)
atomlocation(6,l(1849,151,-988,0.58,0.60926873103,-2.6099973528,0.064793283845,269),1)
atomlocation(5,l(506,-400,-198,0.691,0,62.83185308,0,1290),1)
atomlocation(4,l(510,1585,1496,0.375,4.712387201,0,1.57079633,3848),1)
atomlocation(3,l(1644,-263,2145,0.375,0.61867675613,-0.52,6.2167353693,3848),1)
atomlocation(2,l(-616,-263,2158,0.375,0.60926906971,-2.6099999964,0.064788566157,3848),1)
atomlocation(1,l(510,199,1496,0.691,0,0,0,1290),1)
commandactive("Files")
viewshown("Bot")
grid(8)
atom_count(13)
valencelist(11,2,-6)
valencelist(9,1,4)
valencelist(6,2,-6)
valencelist(5,1,4)
valencelist(1,1,4)