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FRUCTOSE.DAT
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1987-09-07
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4KB
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88 lines
chemical_name("Fructose")
chemical(a(25,"H",o("1s",1,"σ",6)))
chemical(a(6,"O",o("3p(z)",1,"σ",25)))
chemical(a(6,"O",o("3p(y)",1,"σ",4)))
chemical(a(4,"C",o("sp3_5`",1,"σ",6)))
chemical(a(24,"H",o("1s",1,"σ",23)))
chemical(a(23,"O",o("3p(z)",1,"σ",24)))
chemical(a(23,"O",o("3p(y)",1,"σ",1)))
chemical(a(1,"C",o("sp3_5'",1,"σ",23)))
chemical(a(22,"H",o("1s",1,"σ",21)))
chemical(a(21,"O",o("3p(z)",1,"σ",22)))
chemical(a(20,"H",o("1s",1,"σ",18)))
chemical(a(18,"C",o("sp3'",1,"σ",20)))
chemical(a(19,"H",o("1s",1,"σ",18)))
chemical(a(18,"C",o("sp3`",1,"σ",19)))
chemical(a(21,"O",o("3p(y)",1,"σ",18)))
chemical(a(18,"C",o("sp3^",1,"σ",21)))
chemical(a(18,"C",o("sp3~",1,"σ",1)))
chemical(a(1,"C",o("sp3_5`",1,"σ",18)))
chemical(a(17,"H",o("1s",1,"σ",2)))
chemical(a(2,"C",o("sp3_5'",1,"σ",17)))
chemical(a(16,"H",o("1s",1,"σ",15)))
chemical(a(15,"O",o("3p(z)",1,"σ",16)))
chemical(a(15,"O",o("3p(y)",1,"σ",2)))
chemical(a(2,"C",o("sp3_5`",1,"σ",15)))
chemical(a(14,"H",o("1s",1,"σ",3)))
chemical(a(3,"C",o("sp3_5`",1,"σ",14)))
chemical(a(13,"H",o("1s",1,"σ",12)))
chemical(a(12,"O",o("3p(z)",1,"σ",13)))
chemical(a(12,"O",o("3p(y)",1,"σ",3)))
chemical(a(3,"C",o("sp3_5'",1,"σ",12)))
chemical(a(11,"H",o("1s",1,"σ",10)))
chemical(a(10,"O",o("3p(z)",1,"σ",11)))
chemical(a(9,"H",o("1s",1,"σ",7)))
chemical(a(7,"C",o("sp3'",1,"σ",9)))
chemical(a(8,"H",o("1s",1,"σ",7)))
chemical(a(7,"C",o("sp3`",1,"σ",8)))
chemical(a(10,"O",o("3p(y)",1,"σ",7)))
chemical(a(7,"C",o("sp3^",1,"σ",10)))
chemical(a(7,"C",o("sp3~",1,"σ",4)))
chemical(a(4,"C",o("sp3_5'",1,"σ",7)))
chemical(a(1,"C",o("sp3_5~",1,"σ",5)))
chemical(a(5,"O",o("sp_5'",1,"σ",1)))
chemical(a(5,"O",o("sp_5`",1,"σ",4)))
chemical(a(4,"C",o("sp3_5^",1,"σ",5)))
chemical(a(4,"C",o("sp3_5~",1,"σ",3)))
chemical(a(3,"C",o("sp3_5^",1,"σ",4)))
chemical(a(3,"C",o("sp3_5~",1,"σ",2)))
chemical(a(2,"C",o("sp3_5^",1,"σ",3)))
chemical(a(2,"C",o("sp3_5~",1,"σ",1)))
chemical(a(1,"C",o("sp3_5^",1,"σ",2)))
atomlocation(1,l(1461,-572,660,0.7,0,0,0,4),1)
atomlocation(2,l(1082,-572,-1120,0.7,0,-1.8849999964,0,4),1)
atomlocation(3,l(-728,-572,-1311,0.7,0,-0.62840468923,0,4),1)
atomlocation(4,l(-1468,-572,352,0.7,0,-5.6549946921,0,4),1)
atomlocation(5,l(-116,-572,1571,0.7,3.141590881,62.831639002,0,6),1)
atomlocation(6,l(-2733,-1852,626,0.7,2.8422847575,32.676508792,0.48054530555,6),1)
atomlocation(7,l(-2724,700,625,0.691,2.2101033407,62.940284128,5.514481514,4),1)
atomlocation(8,l(-2652,1664,-367,0.375,5.4190914265,-2.166888643,6.0797891466,1),1)
atomlocation(9,l(-2531,1294,1862,0.375,0.47076792802,-5.0810061431,0.056209706191,1),1)
atomlocation(10,l(-4354,-82,580,0.7,2.3118995204,32.435304895,0.30857414888,6),1)
atomlocation(11,l(-4993,1144,378,0.375,5.095517949,-0.82942649599,0.42541656111,1),1)
atomlocation(12,l(-1379,708,-2429,0.7,0.79079235629,31.419913488,6.2831782794,6),1)
atomlocation(13,l(-884,1701,-1580,0.375,0.79079634096,-4.7084105826,6.2815230559,1),1)
atomlocation(14,l(-1228,-1555,-2168,0.375,0.78000219471,-1.5668093821,6.2815446987,1),1)
atomlocation(15,l(1944,-1852,-2085,0.7,2.8353006148,30.163318184,5.8099266884,6),1)
atomlocation(16,l(2545,-900,-2913,0.375,5.1251491399,-2.7219731627,5.8764537084,1),1)
atomlocation(17,l(1744,411,-1861,0.375,5.0186774672,-2.8234046856,5.781735555,1),1)
atomlocation(18,l(2638,700,1178,0.691,1.2267521755,62.902734223,0.53566553711,4),1)
atomlocation(19,l(3649,781,234,0.375,6.0298469142,-2.9138601471,6.2812750586,1),1)
atomlocation(20,l(3170,298,2392,0.375,5.9872177833,-4.8223901895,6.2687058452,1),1)
atomlocation(21,l(1866,2325,1366,0.7,0.13629119902,32.702384837,5.975318939,6),1)
atomlocation(22,l(3107,2909,1097,0.375,0.983634334,-3.452450301,6.0947472231,1),1)
atomlocation(23,l(2646,-1852,1181,0.7,3.8256359327,25.765130214,6.1937152122,6),1)
atomlocation(24,l(1724,-2789,704,0.375,0.8202634823,-1.0018161266,6.1024304963,1),1)
atomlocation(25,l(-1796,-899,1034,0.375,5.1164920361,-0.4102982897,0.41345026674,1),1)
commandactive("Files")
viewshown("Top")
grid(8)
atom_count(26)
valencelist(18,1,4)
valencelist(7,1,4)
valencelist(5,2,-6)
valencelist(4,1,4)
valencelist(3,1,4)
valencelist(2,1,4)
valencelist(1,1,4)