##
s x y z
A C 79.620 54.720 53.034
B C 81.822 54.071 50.027
C C 83.871 51.966 52.424
...
####
$d = sqrt(($rx1 - $rx2)**2 + ($ry1 - $ry2)**2 + ($rz1 - $rz2)**2)
####
open(IN, "template.xyz") or die;
chomp($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);