open(IN, "template.xyz") or die;
    chomp($line = < IN >);
    ($b, @xyz) = split /\s+/, $line; 
    while (chomp($line = < IN >)) {
    ($bb, @xyzvals) = split /\s+/, $line;
    for ($i=0; $i<@xyzvals; $i++) {
	$s{$bb}{$xyz[$i]} = $xyzvals[$i];
        }
    }
    close(IN);