#!/usr/bin/perl

use strict; # https://perlmonks.org/?node_id=11144249
use warnings;

my $file = 'data.11144249';
open my $fh, '<', $file or die "$! opening $file";
local $_ = do{ local $/; <$fh> }; # slurp entire file

my %solvent_face;
# as requested
$solvent_face{ "$3_$1" } = $2 while
  /\b (F\S+) \h+ ([-\d.]+) (?=.*? (\S+) \h+ 0.00000000 )/gsx;
# by solvent, then arrays of each F***
push @{ $solvent_face{ $3 }{ $1 } }, $2 while
  /\b (F\S+) \h+ ([-\d.]+) (?=.*? (\S+) \h+ 0.00000000 )/gsx;
# by F***, then arrays of solvent
push @{ $solvent_face{ $1 }{ $3 } }, $2 while
  /\b (F\S+) \h+ ([-\d.]+) (?=.*? (\S+) \h+ 0.00000000 )/gsx;
use Data::Dump 'dd'; dd \%solvent_face;