// edit the lines below....
//IRLinks(xposition,yposition,width,script,desc);

var BlockfilName="hexane.jdx";
var MolfilName="hexane.xyz";

IRLinks(2962,1,15,46,"asymm stretch of CH3 group (~2962 cm-1)");
IRLinks(2925,1,20,43,"asymm stretch of CH2 group (~2925 cm-1)");
IRLinks(2875,1,10,53,"symm stretch of CH3 group (~2875 cm-1)");
IRLinks(2860,1,10,51,"symm stretch of CH2 group (~2860 cm-1)");
IRLinks(1475,1,15,38,"asymm bend of CH3 group (~1468 cm-1)");
IRLinks(1455,1,15,36,"scissors of CH2 group (~1460 cm-1)");
IRLinks(1379,1,10,32,"symm bend CH3 group (~1379 cm-1)");
IRLinks(725,1,10,10,"concerted rocking mode of CH2 groups (~720 cm-1)");

var ShowDesc="T";

HNMRLinks(0.9, 1, 0.1, "atomno=7 or atomno=8 or atomno=9 or atomno=18 or atomno=19 or atomno=20");
HNMRLinks(1.3, 1, 0.2, "atomno=10 or atomno=11 or atomno=12 or atomno=13 or atomno=14 or atomno=15 or atomno=16 or atomno=17");

CNMRLinks(14, 1, 1, "atomno=1 or atomno=6");
CNMRLinks(23, 1, 1, "atomno=2 or atomno=5");
CNMRLinks(32, 1, 1, "atomno=3 or atomno=4");

var title="n-hexane";
var author="Prof Robert John Lancashire";
var address1="Department of Chemistry";
var address2="University of the West Indies"; 
var address3="Mona, Kingston 7, JAMAICA";
var lastMod="22nd January 2006";

//you should not need to edit the html files.