home
***
CD-ROM
|
disk
|
FTP
|
other
***
search
/
Significant Series Windows
/
PCSIG-SignificantSeriesWindows-Win31.iso
/
0winrun
/
3024
/
c6h6.dat
< prev
next >
Wrap
Text File
|
1992-08-01
|
2KB
|
43 lines
atomlocation(1,l(-879,-4467,1576,0.7,0,4.188804627,0,-21141),1)
chemical(a(1,"C",o("sp2^",1,"σ",7)))
chemical(a(1,"C",o("2p(x)",1,"no",0)))
chemical(a(1,"C",o("sp2`",1,"σ",5)))
chemical(a(1,"C",o("sp2'",1,"σ",4)))
atomlocation(2,l(1824,-4461,0,0.7,0,2.094395344,0,-21141),1)
chemical(a(2,"C",o("sp2^",1,"σ",12)))
chemical(a(2,"C",o("2p(x)",1,"no",0)))
chemical(a(2,"C",o("sp2`",1,"σ",4)))
chemical(a(2,"C",o("sp2'",1,"σ",3)))
atomlocation(3,l(2734,-4463,1576,0.7,0,1.047197644,0,-21141),1)
chemical(a(3,"C",o("sp2^",1,"σ",11)))
chemical(a(3,"C",o("2p(x)",1,"no",0)))
chemical(a(3,"C",o("sp2`",1,"σ",2)))
chemical(a(3,"C",o("sp2'",1,"σ",6)))
atomlocation(4,l(0,-4470,0,0.7,6.2832,6.2832,6.2832,-21141),1)
chemical(a(4,"C",o("sp2^",1,"σ",8)))
chemical(a(4,"C",o("2p(x)",1,"no",0)))
chemical(a(4,"C",o("sp2`",1,"σ",1)))
chemical(a(4,"C",o("sp2'",1,"σ",2)))
atomlocation(5,l(4,-4467,3151,0.7,0,5.236002271,0,-21141),1)
chemical(a(5,"C",o("sp2^",1,"σ",9)))
chemical(a(5,"C",o("2p(x)",1,"no",0)))
chemical(a(5,"C",o("sp2`",1,"σ",6)))
chemical(a(5,"C",o("sp2'",1,"σ",1)))
atomlocation(6,l(1824,-4465,3151,0.7,0,0,0,-21141),1)
chemical(a(6,"C",o("sp2^",1,"σ",10)))
chemical(a(6,"C",o("2p(x)",1,"no",0)))
chemical(a(6,"C",o("sp2`",1,"σ",3)))
chemical(a(6,"C",o("sp2'",1,"σ",5)))
atomlocation(7,l(-2275,-4465,1576,0.375,0,0,0,-1),1)
chemical(a(7,"H",o("1s",1,"σ",1)))
atomlocation(8,l(-684,-4467,-1194,0.375,0,5.236002026,0,-1),1)
chemical(a(8,"H",o("1s",1,"σ",4)))
atomlocation(9,l(-682,-4465,4362,0.375,0,1.047212181,0,-1),1)
chemical(a(9,"H",o("1s",1,"σ",5)))
atomlocation(10,l(2523,-4463,4362,0.375,0,2.094395043,0,-1),1)
chemical(a(10,"H",o("1s",1,"σ",6)))
atomlocation(11,l(4131,-4461,1576,0.375,0,3.14159256,0,-1),1)
chemical(a(11,"H",o("1s",1,"σ",3)))
atomlocation(12,l(2522,-4459,-1205,0.375,0,4.188790442,0,-1),1)
chemical(a(12,"H",o("1s",1,"σ",2)))