Mercurial > repos > deepakjadmin > mayatool3_test2

diff lib/Fingerprints/MACCSKeys.pm @ 0:4816e4a8ae95 draft default tip
Uploaded
author: deepakjadmin
date: Wed, 20 Jan 2016 09:23:18 -0500
--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/lib/Fingerprints/MACCSKeys.pm	Wed Jan 20 09:23:18 2016 -0500
@@ -0,0 +1,8971 @@
+package Fingerprints::MACCSKeys;
+#
+# $RCSfile: MACCSKeys.pm,v $
+# $Date: 2015/02/28 20:48:54 $
+# $Revision: 1.33 $
+#
+# Author: Manish Sud <msud@san.rr.com>
+#
+# Copyright (C) 2015 Manish Sud. All rights reserved.
+#
+# This file is part of MayaChemTools.
+#
+# MayaChemTools is free software; you can redistribute it and/or modify it under
+# the terms of the GNU Lesser General Public License as published by the Free
+# Software Foundation; either version 3 of the License, or (at your option) any
+# later version.
+#
+# MayaChemTools is distributed in the hope that it will be useful, but without
+# any warranty; without even the implied warranty of merchantability of fitness
+# for a particular purpose.  See the GNU Lesser General Public License for more
+# details.
+#
+# You should have received a copy of the GNU Lesser General Public License
+# along with MayaChemTools; if not, see <http://www.gnu.org/licenses/> or
+# write to the Free Software Foundation Inc., 59 Temple Place, Suite 330,
+# Boston, MA, 02111-1307, USA.
+#
+
+use strict;
+use Carp;
+use Exporter;
+use Fingerprints::Fingerprints;
+use TextUtil ();
+use Molecule;
+use PeriodicTable;
+
+use vars qw(@ISA @EXPORT @EXPORT_OK %EXPORT_TAGS);
+
+@ISA = qw(Fingerprints::Fingerprints Exporter);
+@EXPORT = qw();
+@EXPORT_OK = qw();
+
+%EXPORT_TAGS = (all  => [@EXPORT, @EXPORT_OK]);
+
+# Setup class variables...
+my($ClassName);
+_InitializeClass();
+
+# Overload Perl functions...
+use overload '""' => 'StringifyMACCSKeys';
+
+# Class constructor...
+sub new {
+  my($Class, %NamesAndValues) = @_;
+
+  # Initialize object...
+  my $This = $Class->SUPER::new();
+  bless $This, ref($Class) || $Class;
+  $This->_InitializeMACCSKeys();
+
+  $This->_InitializeMACCSKeysProperties(%NamesAndValues);
+
+  return $This;
+}
+
+# Initialize object data...
+#
+sub _InitializeMACCSKeys {
+  my($This) = @_;
+
+  # Type of fingerprint to generate:
+  #
+  # MACCSKeyBits - A bit vector indicating presence/absence of keys
+  # MACCSKeyCount - A vector containing count of keys
+  #
+  $This->{Type} = '';
+  $This->{KeyBits} = '';
+
+  # Size of key set: 166 or 322...
+  $This->{Size} = '';
+}
+
+# Initialize class ...
+sub _InitializeClass {
+  #Class name...
+  $ClassName = __PACKAGE__;
+}
+
+# Initialize object properties....
+sub _InitializeMACCSKeysProperties {
+  my($This, %NamesAndValues) = @_;
+
+  my($Name, $Value, $MethodName);
+  while (($Name, $Value) = each  %NamesAndValues) {
+    $MethodName = "Set${Name}";
+    $This->$MethodName($Value);
+  }
+
+  # Make sure molecule object was specified...
+  if (!exists $NamesAndValues{Molecule}) {
+    croak "Error: ${ClassName}->New: Object can't be instantiated without specifying molecule...";
+  }
+
+  # Make sure type and size were specified...
+  if (!exists $NamesAndValues{Type}) {
+    croak "Error: ${ClassName}->New: Object can't be instantiated without specifying type...";
+  }
+  if (!exists $NamesAndValues{Size}) {
+    croak "Error: ${ClassName}->New: Object can't be instantiated without specifying size...";
+  }
+
+  # Make sure approriate size is specified...
+  if ($NamesAndValues{Size} !~ /^(166|322)$/) {
+    croak "Error: ${ClassName}->New: The current release of MayaChemTools doesn't support MDL MACCS $NamesAndValues{Size} keys...";
+  }
+
+  if ($This->{Type} =~ /^MACCSKeyBits$/i) {
+    $This->_InitializeMACCSKeyBits();
+  }
+  elsif ($This->{Type} =~ /^MACCSKeyCount$/i) {
+    $This->_InitializeMACCSKeyCounts();
+  }
+  else {
+    croak "Error: ${ClassName}->_InitializeMACCSKeysProperties: Unknown MACCS keys type: $This->{Type}; Supported type keys: MACCSKeyBits or MACCSKeyCount......";
+  }
+
+  return $This;
+}
+
+# Initialize MACCS key bits...
+#
+sub _InitializeMACCSKeyBits {
+  my($This) = @_;
+
+  $This->{KeyBits} = 1;
+
+  # Vector type...
+  $This->{VectorType} = 'FingerprintsBitVector';
+
+  $This->_InitializeFingerprintsBitVector();
+
+  return $This;
+}
+
+# Initialize MACCS key counts...
+#
+sub _InitializeMACCSKeyCounts {
+  my($This) = @_;
+
+  $This->{KeyBits} = 0;
+
+  # Vector type and type of values...
+  $This->{VectorType} = 'FingerprintsVector';
+  $This->{FingerprintsVectorType} = 'OrderedNumericalValues';
+
+  $This->_InitializeFingerprintsVector();
+
+  # Initialize values to zero...
+  my(@Values);
+  @Values = (0) x $This->{Size};
+  $This->{FingerprintsVector}->AddValues(\@Values);
+
+  return $This;
+}
+
+# Set type...
+#
+sub SetType {
+  my($This, $Type) = @_;
+
+  if ($This->{Type}) {
+    croak "Error: ${ClassName}->SetType: Can't change type:  It's already set...";
+  }
+
+  if ($Type =~ /^MACCSKeyBits$/i) {
+    $This->{Type} = 'MACCSKeyBits';;
+    $This->{KeyBits} = 1;
+  }
+  elsif ($Type =~ /^MACCSKeyCount$/i) {
+    $This->{Type} = 'MACCSKeyCount';;
+    $This->{KeyBits} = 0;
+  }
+  else {
+    croak "Error: ${ClassName}->SetType: Unknown type MACCS keys: $Type; Supported type keys: MACCSKeyBits or MACCSKeyCount...";
+  }
+  return $This;
+}
+
+# Set size...
+#
+sub SetSize {
+  my($This, $Value) = @_;
+
+  if ($This->{Size}) {
+    croak "Error: ${ClassName}->SetSize: Can't change size:  It's already set...";
+  }
+  if (!TextUtil::IsPositiveInteger($Value)) {
+    croak "Error: ${ClassName}->SetSize: Size value, $Value, is not valid:  It must be a positive integer...";
+  }
+  if ($Value !~ /^(166|322)/i) {
+    croak "Error: ${ClassName}->Size: The current release of MayaChemTools doesn't support MDL MACCS $Value keys...";
+  }
+  $This->{Size} = $Value;
+
+  return $This;
+}
+
+# Generate description...
+#
+sub GetDescription {
+  my($This) = @_;
+
+  # Is description explicity set?
+  if (exists $This->{Description}) {
+    return $This->{Description};
+  }
+
+  return "$This->{Type}";
+}
+
+# Generate MDL MACCS keys..
+#
+sub GenerateMACCSKeys {
+  my($This) = @_;
+
+  # Cache appropriate molecule data...
+  $This->_SetupMoleculeDataCache();
+
+  if ($This->{Size} == 166) {
+    $This->_GenerateMACCS166Keys();
+  }
+  elsif ($This->{Size} == 322) {
+    $This->_GenerateMACCS322Keys();
+  }
+  else {
+    croak "Error: ${ClassName}->GenerateMACCSKeys: The current release of MayaChemTools doesn't support MDL MACCS  $This->{Size} keys...";
+  }
+
+  $This->{FingerprintsGenerated} = 1;
+
+  # Clear cached molecule data...
+  $This->_ClearMoleculeDataCache();
+
+  return $This;
+}
+
+# Setup GenerateFingerprints method in order to be consistent with all other
+# fingerprints classes implemented in the current release of MayaChemTools...
+#
+sub GenerateFingerprints {
+  my($This) = @_;
+
+  return $This->GenerateMACCSKeys();
+}
+
+# Generate MDL MACCS 166 keys...
+#
+# Information on the 166 keys [ Ref. 45-47 ]:
+#
+# Atom symbols:
+#
+# A : Any valid perodic table element symbol
+# Q  : Hetro atoms; any non-C or non-H atom
+# X  : Halogens; F, Cl, Br, I
+# Z  : Others; other than H, C, N, O, Si, P, S, F, Cl, Br, I
+#
+# Bond types:
+#
+# -  : Single
+# =  : Double
+# T  : Triple
+# #  : Triple
+# ~  : Single or double query bond
+# %  : An aromatic query bond
+#
+# None : Any bond type; no explict bond specified
+#
+# $  : Ring bond; $ before a bond type specifies ring bond
+# !  : Chain or non-ring bond; ! before a bond type specifies chain bond
+#
+# @  : A ring linkage and the number following it specifies the
+#      atoms position in the line, thus @1 means linked back to the first atom in
+#      the list.
+#
+# Aromatic: Kekule or Arom5
+#
+# Kekule: Bonds in 6-membered rings with alternalte single/double bonds or perimeter
+#         bonds
+#
+# Arom5: Bonds in 5-membered rings with two double bonds and a hetro atom at
+#        the apex of the ring.
+#
+# Index Key Description
+# 1	ISOTOPE
+# 2	103 < ATOMIC NO. < 256
+# 3	GROUP IVA,VA,VIA PERIODS 4-6 (Ge...)
+# 4	ACTINIDE
+# 5	GROUP IIIB,IVB (Sc...)
+# 6	LANTHANIDE
+# 7	GROUP VB,VIB,VIIB (V...)
+# 8	QAAA@1
+# 9	GROUP VIII (Fe...)
+# 10	GROUP IIA (ALKALINE EARTH)
+# 11	4M RING
+# 12	GROUP IB,IIB (Cu...)
+# 13	ON(C)C
+# 14	S-S
+# 15	OC(O)O
+# 16	QAA@1
+# 17	CTC
+# 18	GROUP IIIA (B...)
+# 19	7M RING
+# 20	SI
+# 21	C=C(Q)Q
+# 22	3M RING
+# 23	NC(O)O
+# 24	N-O
+# 25	NC(N)N
+# 26	C$=C($A)$A
+# 27	I
+# 28	QCH2Q
+# 29	P
+# 30	CQ(C)(C)A
+# 31	QX
+# 32	CSN
+# 33	NS
+# 34	CH2=A
+# 35	GROUP IA (ALKALI METAL)
+# 36	S HETEROCYCLE
+# 37	NC(O)N
+# 38	NC(C)N
+# 39	OS(O)O
+# 40	S-O
+# 41	CTN
+# 42	F
+# 43	QHAQH
+# 44	OTHER
+# 45	C=CN
+# 46	BR
+# 47	SAN
+# 48	OQ(O)O
+# 49	CHARGE
+# 50	C=C(C)C
+# 51	CSO
+# 52	NN
+# 53	QHAAAQH
+# 54	QHAAQH
+# 55	OSO
+# 56	ON(O)C
+# 57	O HETEROCYCLE
+# 58	QSQ
+# 59	Snot%A%A
+# 60	S=O
+# 61	AS(A)A
+# 62	A$A!A$A
+# 63	N=O
+# 64	A$A!S
+# 65	C%N
+# 66	CC(C)(C)A
+# 67	QS
+# 68	QHQH (&...)
+# 69	QQH
+# 70	QNQ
+# 71	NO
+# 72	OAAO
+# 73	S=A
+# 74	CH3ACH3
+# 75	A!N$A
+# 76	C=C(A)A
+# 77	NAN
+# 78	C=N
+# 79	NAAN
+# 80	NAAAN
+# 81	SA(A)A
+# 82	ACH2QH
+# 83 	QAAAA@1
+# 84	NH2
+# 85	CN(C)C
+# 86	CH2QCH2
+# 87	X!A$A
+# 88	S
+# 89	OAAAO
+# 90	QHAACH2A
+# 91	QHAAACH2A
+# 92	OC(N)C
+# 93	QCH3
+# 94	QN
+# 95	NAAO
+# 96	5M RING
+# 97	NAAAO
+# 98	QAAAAA@1
+# 99	C=C
+# 100	ACH2N
+# 101	8M RING
+# 102	QO
+# 103	CL
+# 104	QHACH2A
+# 105	A$A($A)$A
+# 106	QA(Q)Q
+# 107	XA(A)A
+# 108	CH3AAACH2A
+# 109	ACH2O
+# 110	NCO
+# 111	NACH2A
+# 112	AA(A)(A)A
+# 113	Onot%A%A
+# 114	CH3CH2A
+# 115	CH3ACH2A
+# 116	CH3AACH2A
+# 117	NAO
+# 118	ACH2CH2A > 1
+# 119	N=A
+# 120	HETEROCYCLIC ATOM > 1 (&...)
+# 121	N HETEROCYCLE
+# 122	AN(A)A
+# 123	OCO
+# 124	QQ
+# 125	AROMATIC RING > 1
+# 126	A!O!A
+# 127	A$A!O > 1 (&...)
+# 128	ACH2AAACH2A
+# 129	ACH2AACH2A
+# 130	QQ > 1 (&...)
+# 131	QH > 1
+# 132	OACH2A
+# 133	A$A!N
+# 134	X (HALOGEN)
+# 135	Nnot%A%A
+# 136	O=A > 1
+# 137	HETEROCYCLE
+# 138	QCH2A > 1 (&...)
+# 139	OH
+# 140	O > 3 (&...)
+# 141	CH3 > 2 (&...)
+# 142	N > 1
+# 143	A$A!O
+# 144	Anot%A%Anot%A
+# 145	6M RING > 1
+# 146	O > 2
+# 147	ACH2CH2A
+# 148	AQ(A)A
+# 149	CH3 > 1
+# 150	A!A$A!A
+# 151	NH
+# 152	OC(C)C
+# 153	QCH2A
+# 154	C=O
+# 155	A!CH2!A
+# 156	NA(A)A
+# 157	C-O
+# 158	C-N
+# 159	O > 1
+# 160	CH3
+# 161	N
+# 162	AROMATIC
+# 163	6M RING
+# 164	O
+# 165	RING
+# 166 	FRAGMENTS
+#
+sub _GenerateMACCS166Keys {
+  my($This) = @_;
+  my($KeyNum, $KeyIndex, $MethodName, $KeyValue, $SkipPosCheck);
+
+  $SkipPosCheck = 1;
+
+  # Generate and set key values...
+  KEYNUM: for $KeyNum (1 .. 166) {
+    $MethodName = "_Generate166KeySetKey${KeyNum}";
+    $KeyValue = $This->$MethodName();
+
+    if (!$KeyValue) {
+      next KEYNUM;
+    }
+    $KeyIndex = $KeyNum - 1;
+    if ($This->{KeyBits}) {
+      $This->{FingerprintsBitVector}->SetBit($KeyIndex, $SkipPosCheck);
+    }
+    else {
+      $This->{FingerprintsVector}->SetValue($KeyIndex, $KeyValue, $SkipPosCheck);
+    }
+  }
+
+  # Add key labels for MACCSKeyCount...
+  if (!$This->{KeyBits}) {
+    $This->_SetMACCSKeyCountValueIDs();
+  }
+
+  return $This;
+}
+
+# Generate MDL MACCS 322 keys...
+#
+# MDL MACCS 322 key set is defined in tables 1, 2 and 3 by: Joseph L. Durant; Burton A. Leland;
+# Douglas R. Henry; James G. Nourse. Reoptimization of MDL Keys for Use in Drug Discovery [ Ref. 46 ].
+#
+# Atom symbols:
+#
+# A : Any valid perodic table element symbol
+# Q  : Hetro atoms; any non-C or non-H atom
+# X  : Others; other than H, C, N, O, Si, P, S, F, Cl, Br, I
+# Z is neither defined nor used
+#
+# Atom symbol, X, used for 322 keys [ Ref 46 ] doesn't refer to Halogens as it does for 166 keys. In
+# order to keep the definition of 322 keys consistent with the published definitions, the symbol X is
+# used to imply "others" atoms, but it's internally mapped to symbol X as defined for 166 keys
+# during the generation of key values.
+#
+# The keys include:
+#
+# o 26 atom properties of type P, as listed in Table 1
+# o 32 one-atom environments, as listed in Table 3
+# o 264 atom-bond-atom combinations listed in Table 4
+#
+# Total number of keys in three tables: 322
+#
+# Removal of two rare properties in Table 1 number 21 and 22 results in a 320 keyset.
+#
+# Atom properties-based keys (26):
+#
+# Index Description
+# 1     A(AAA) or AA(A)A - atom with at least three neighbors
+# 2     Q - heteroatom
+# 3     Anot%not-A - atom involved in one or more multiple bonds, not aromatic
+# 4     A(AAAA) or AA(A)(A)A - atom with at least four neighbors
+# 5     A(QQ) or QA(Q) - atom with at least two heteroatom neighbors
+# 6     A(QQQ) or QA(Q)Q - atom with at least three heteroatom neighbors
+# 7     QH - heteroatom with at least one hydrogen attached
+# 8     CH2(AA) or ACH2A - carbon with at least two single bonds and at least two hydrogens attached
+# 9     CH3(A) or ACH3 - carbon with at least one single bond and at least three hydrogens attached
+# 10    Halogen
+# 11    A(-A-A-A) or A-A(-A)-A - atom has at least three single bonds
+# 12    AAAAAA@1 > 2 - atom is in at least two different six-membered rings
+# 13    A($A$A$A) or A$A($A)$A - atom has more than two ring bonds
+# 14    A$A!A$A - atom is at a ring/chain boundary. When a comparison is done
+#       with another atom the path passes through the chain bond.
+# 15    Anot%A%Anot%A - atom is at an aromatic/nonaromatic boundary. When a
+#       comparison is done with another atom the path
+#       passes through the aromatic bond.
+# 16    A!A!A  - atom with more than one chain bond
+# 17    A!A$A!A - atom is at a ring/chain boundary. When a comparison is done
+#       with another atom the path passes through the ring bond.
+# 18    A%Anot%A%A - atom is at an aromatic/nonaromatic boundary. When a
+#       comparison is done with another atom the
+#       path passes through the nonaromatic bond.
+# 19    HETEROCYCLE - atom is a heteroatom in a ring.
+# 20    rare properties: atom with five or more neighbors, atom in
+#       four or more rings, or atom types other than
+#       H, C, N, O, S, F, Cl, Br, or I
+# 21    rare properties: atom has a charge, is an isotope, has two or
+#       more multiple bonds, or has a triple bond.
+# 22    N - nitrogen
+# 23    S - sulfur
+# 24    O - oxygen
+# 25    A(AA)A(A)A(AA) - atom has two neighbors, each with three or more neighbors
+#       (including the central atom).
+# 26    CHACH2 - atom has two hydrocarbon (CH2) neighbors
+#
+#
+# Atomic environments properties-based keys (32):
+#
+# Index Key Description
+# 27    C(CC)
+# 28    C(CCC)
+# 29    C(CN)
+# 30    C(CCN)
+# 31    C(NN)
+# 32    C(NNC)
+# 33    C(NNN)
+# 34    C(CO)
+# 35    C(CCO)
+# 36    C(NO)
+# 37    C(NCO)
+# 38    C(NNO)
+# 39    C(OO)
+# 40    C(COO)
+# 41    C(NOO)
+# 42    C(OOO)
+# 43    Q(CC)
+# 44    Q(CCC)
+# 45    Q(CN)
+# 46    Q(CCN)
+# 47    Q(NN)
+# 48    Q(CNN)
+# 49    Q(NNN)
+# 50    Q(CO)
+# 51    Q(CCO)
+# 52    Q(NO)
+# 53    Q(CNO)
+# 54    Q(NNO)
+# 55    Q(OO)
+# 56    Q(COO)
+# 57    Q(NOO)
+# 58    Q(OOO)
+#
+# Note: The first symbol is the central atom, with atoms bonded to the
+# central atom listed in parentheses. Q is any non-C, non-H atom. If
+# only two atoms are in parentheses, there is no implication concerning
+# the other atoms bonded to the central atom.
+#
+# Atom-Bond-Atom properties-based keys: (264)
+#
+# Index Key Description
+# 59    C-C
+# 60    C-N
+# 61    C-O
+# 62    C-S
+# 63    C-Cl
+# 64    C-P
+# 65    C-F
+# 66    C-Br
+# 67    C-Si
+# 68    C-I
+# 69    C-X
+# 70    N-N
+# 71    N-O
+# 72    N-S
+# 73    N-Cl
+# 74    N-P
+# 75    N-F
+# 76    N-Br
+# 77    N-Si
+# 78    N-I
+# 79    N-X
+# 80    O-O
+# 81    O-S
+# 82    O-Cl
+# 83    O-P
+# 84    O-F
+# 85    O-Br
+# 86    O-Si
+# 87    O-I
+# 88    O-X
+# 89    S-S
+# 90    S-Cl
+# 91    S-P
+# 92    S-F
+# 93    S-Br
+# 94    S-Si
+# 95    S-I
+# 96    S-X
+# 97    Cl-Cl
+# 98    Cl-P
+# 99    Cl-F
+# 100   Cl-Br
+# 101   Cl-Si
+# 102   Cl-I
+# 103   Cl-X
+# 104   P-P
+# 105   P-F
+# 106   P-Br
+# 107   P-Si
+# 108   P-I
+# 109   P-X
+# 110   F-F
+# 111   F-Br
+# 112   F-Si
+# 113   F-I
+# 114   F-X
+# 115   Br-Br
+# 116   Br-Si
+# 117   Br-I
+# 118   Br-X
+# 119   Si-Si
+# 120   Si-I
+# 121   Si-X
+# 122   I-I
+# 123   I-X
+# 124   X-X
+# 125   C=C
+# 126   C=N
+# 127   C=O
+# 128   C=S
+# 129   C=Cl
+# 130   C=P
+# 131   C=F
+# 132   C=Br
+# 133   C=Si
+# 134   C=I
+# 135   C=X
+# 136   N=N
+# 137   N=O
+# 138   N=S
+# 139   N=Cl
+# 140   N=P
+# 141   N=F
+# 142   N=Br
+# 143   N=Si
+# 144   N=I
+# 145   N=X
+# 146   O=O
+# 147   O=S
+# 148   O=Cl
+# 149   O=P
+# 150   O=F
+# 151   O=Br
+# 152   O=Si
+# 153   O=I
+# 154   O=X
+# 155   S=S
+# 156   S=Cl
+# 157   S=P
+# 158   S=F
+# 159   S=Br
+# 160   S=Si
+# 161   S=I
+# 162   S=X
+# 163   Cl=Cl
+# 164   Cl=P
+# 165   Cl=F
+# 166   Cl=Br
+# 167   Cl=Si
+# 168   Cl=I
+# 169   Cl=X
+# 170   P=P
+# 171   P=F
+# 172   P=Br
+# 173   P=Si
+# 174   P=I
+# 175   P=X
+# 176   F=F
+# 177   F=Br
+# 178   F=Si
+# 179   F=I
+# 180   F=X
+# 181   Br=Br
+# 182   Br=Si
+# 183   Br=I
+# 184   Br=X
+# 185   Si=Si
+# 186   Si=I
+# 187   Si=X
+# 188   I=I
+# 189   I=X
+# 190   X=X
+# 191   C#C
+# 192   C#N
+# 193   C#O
+# 194   C#S
+# 195   C#Cl
+# 196   C#P
+# 197   C#F
+# 198   C#Br
+# 199   C#Si
+# 200   C#I
+# 201   C#X
+# 202   N#N
+# 203   N#O
+# 204   N#S
+# 205   N#Cl
+# 206   N#P
+# 207   N#F
+# 208   N#Br
+# 209   N#Si
+# 210   N#I
+# 211   N#X
+# 212   O#O
+# 213   O#S
+# 214   O#Cl
+# 215   O#P
+# 216   O#F
+# 217   O#Br
+# 218   O#Si
+# 219   O#I
+# 220   O#X
+# 221   S#S
+# 222   S#Cl
+# 223   S#P
+# 224   S#F
+# 225   S#Br
+# 226   S#Si
+# 227   S#I
+# 228   S#X
+# 229   Cl#Cl
+# 230   Cl#P
+# 231   Cl#F
+# 232   Cl#Br
+# 233   Cl#Si
+# 234   Cl#I
+# 235   Cl#X
+# 236   P#P
+# 237   P#F
+# 238   P#Br
+# 239   P#Si
+# 240   P#I
+# 241   P#X
+# 242   F#F
+# 243   F#Br
+# 244   F#Si
+# 245   F#I
+# 246   F#X
+# 247   Br#Br
+# 248   Br#Si
+# 249   Br#I
+# 250   Br#X
+# 251   Si#Si
+# 252   Si#I
+# 253   Si#X
+# 254   I#I
+# 255   I#X
+# 256   X#X
+# 257   C$C
+# 258   C$N
+# 259   C$O
+# 260   C$S
+# 261   C$Cl
+# 262   C$P
+# 263   C$F
+# 264   C$Br
+# 265   C$Si
+# 266   C$I
+# 267   C$X
+# 268   N$N
+# 269   N$O
+# 270   N$S
+# 271   N$Cl
+# 272   N$P
+# 273   N$F
+# 274   N$Br
+# 275   N$Si
+# 276   N$I
+# 277   N$X
+# 278   O$O
+# 279   O$S
+# 280   O$Cl
+# 281   O$P
+# 282   O$F
+# 283   O$Br
+# 284   O$Si
+# 285   O$I
+# 286   O$X
+# 287   S$S
+# 288   S$Cl
+# 289   S$P
+# 290   S$F
+# 291   S$Br
+# 292   S$Si
+# 293   S$I
+# 294   S$X
+# 295   Cl$Cl
+# 296   Cl$P
+# 297   Cl$F
+# 298   Cl$Br
+# 299   Cl$Si
+# 300   Cl$I
+# 301   Cl$X
+# 302   P$P
+# 303   P$F
+# 304   P$Br
+# 305   P$Si
+# 306   P$I
+# 307   P$X
+# 308   F$F
+# 309   F$Br
+# 310   F$Si
+# 311   F$I
+# 312   F$X
+# 313   Br$Br
+# 314   Br$Si
+# 315   Br$I
+# 316   Br$X
+# 317   Si$Si
+# 318   Si$I
+# 319   Si$X
+# 320   I$I
+# 321   I$X
+# 322   X$X
+#
+# Note: Instead of using '%' as rind bond as mentioned in the article [ Ref. 46 ], MayaChemTools
+# used '$' as a symbol for ring bond to follow conventions used for MACCS 166 keys; the symbol '%'
+# is used to indicate an aromatic query bond.
+#
+sub _GenerateMACCS322Keys {
+  my($This) = @_;
+  my($KeyNum, $KeyIndex, $MethodName, $KeyValue, $SkipPosCheck);
+
+  $SkipPosCheck = 1;
+
+  # Generate and set key values...
+  KEYNUM: for $KeyNum (1 .. 322) {
+    $MethodName = "_Generate322KeySetKey${KeyNum}";
+    $KeyValue = $This->$MethodName();
+
+    if (!$KeyValue) {
+      next KEYNUM;
+    }
+    $KeyIndex = $KeyNum - 1;
+    if ($This->{KeyBits}) {
+      $This->{FingerprintsBitVector}->SetBit($KeyIndex, $SkipPosCheck);
+    }
+    else {
+      $This->{FingerprintsVector}->SetValue($KeyIndex, $KeyValue, $SkipPosCheck);
+    }
+  }
+
+  # Add key labels for MACCSKeyCount...
+  if (!$This->{KeyBits}) {
+    $This->_SetMACCSKeyCountValueIDs();
+  }
+  return $This;
+}
+
+# Set MACCS key count value IDs for fingerprint vector. The value IDs labels format
+# is: Key<KeyNum>.
+#
+# By default, no value IDs are set for fingerprint vector values.
+#
+sub _SetMACCSKeyCountValueIDs {
+  my($This) = @_;
+
+  if (!$This->{FingerprintsVector}) {
+    return;
+  }
+  my(@ValueIDs);
+
+  @ValueIDs = map { "Key$_"; } (1 .. $This->{Size});
+  $This->{FingerprintsVector}->AddValueIDs(\@ValueIDs);
+
+  return $This;
+}
+
+##################################
+#
+#  Implementation of MDL MACCS 166 keys...
+#
+##################################
+
+# Generate key 1 value as 1/0 indicating its presence/absence or count of its
+# presence in a molecule.
+#
+# Key 1 description: ISOTOPE
+#
+sub _Generate166KeySetKey1 {
+  my($This) = @_;
+  my($Atom, $KeyValue);
+
+  $KeyValue = 0;
+  ATOM: for $Atom (@{$This->{Atoms}}) {
+    if ($Atom->IsIsotope()) {
+      if ($This->{KeyBits}) {
+	$KeyValue = 1;
+	last ATOM;
+      }
+      $KeyValue++;
+    }
+  }
+  return $KeyValue;
+}
+
+# Generate key 2 value as 1/0 indicating its presence/absence or count of its
+# presence in a molecule.
+#
+# Key 2 description: 103 < ATOMIC NO. < 256
+#
+sub _Generate166KeySetKey2 {
+  my($This) = @_;
+  my($Atom, $AtomicNumber, $KeyValue);
+
+  $KeyValue = 0;
+  ATOM: for $Atom (@{$This->{Atoms}}) {
+    $AtomicNumber = $Atom->GetAtomicNumber();
+    if ($AtomicNumber > 103 && $AtomicNumber < 256) {
+      if ($This->{KeyBits}) {
+	$KeyValue = 1;
+	last ATOM;
+      }
+      $KeyValue++;
+    }
+  }
+  return $KeyValue;
+}
+
+# Generate key 3 value as 1/0 indicating its presence/absence or count of its
+# presence in a molecule.
+#
+# Key 3 description: GROUP IVA,VA,VIA (GroupNumber: 14, 15, 16) PERIODS 4-6 (Ge...)
+#
+sub _Generate166KeySetKey3 {
+  my($This) = @_;
+  my($Atom, $KeyValue, $AtomicNumber, $GroupNumber, $PeriodNumber);
+
+  $KeyValue = 0;
+  ATOM: for $Atom (@{$This->{Atoms}}) {
+    $AtomicNumber = $Atom->GetAtomicNumber();
+    if ($AtomicNumber) {
+      $GroupNumber = PeriodicTable::GetElementGroupNumber($AtomicNumber);
+      $PeriodNumber = PeriodicTable::GetElementPeriodNumber($AtomicNumber);
+      if ($PeriodNumber =~ /^(4|5|6)$/ && $GroupNumber =~ /^(14|15|16)$/) {
+	if ($This->{KeyBits}) {
+	  $KeyValue = 1;
+	  last ATOM;
+	}
+	$KeyValue++;
+      }
+    }
+  }
+  return $KeyValue;
+}
+
+# Generate key 4 value as 1/0 indicating its presence/absence or count of its
+# presence in a molecule.
+#
+# Key 4 description: ACTINIDE
+#
+sub _Generate166KeySetKey4 {
+  my($This) = @_;
+  my($Atom, $AtomicNumber, $KeyValue);
+
+  $KeyValue = 0;
+  ATOM: for $Atom (@{$This->{Atoms}}) {
+    $AtomicNumber = $Atom->GetAtomicNumber();
+    if ($AtomicNumber >= 89 && $AtomicNumber <= 103) {
+      if ($This->{KeyBits}) {
+	$KeyValue = 1;
+	last ATOM;
+      }
+      $KeyValue++;
+    }
+  }
+  return $KeyValue;
+}
+
+# Generate key 5 value as 1/0 indicating its presence/absence or count of its
+# presence in a molecule.
+#
+# Key 5 description: GROUP IIIB,IVB (Sc...)
+#
+sub _Generate166KeySetKey5 {
+  my($This) = @_;
+  my($Atom, $KeyValue, $AtomicNumber, $GroupNumber);
+
+  $KeyValue = 0;
+  ATOM: for $Atom (@{$This->{Atoms}}) {
+    $AtomicNumber = $Atom->GetAtomicNumber();
+    if ($AtomicNumber) {
+      $GroupNumber = PeriodicTable::GetElementGroupNumber($AtomicNumber);
+      if ($GroupNumber =~ /^(3|4)$/) {
+	if ($This->{KeyBits}) {
+	  $KeyValue = 1;
+	  last ATOM;
+	}
+	$KeyValue++;
+      }
+    }
+  }
+  return $KeyValue;
+}
+
+# Generate key 6 value as 1/0 indicating its presence/absence or count of its
+# presence in a molecule.
+#
+# Key 6 description: LANTHANIDE
+#
+sub _Generate166KeySetKey6 {
+  my($This) = @_;
+  my($Atom, $AtomicNumber, $KeyValue);
+
+  $KeyValue = 0;
+  ATOM: for $Atom (@{$This->{Atoms}}) {
+    $AtomicNumber = $Atom->GetAtomicNumber();
+    if ($AtomicNumber >= 57 && $AtomicNumber <= 71) {
+      if ($This->{KeyBits}) {
+	$KeyValue = 1;
+	last ATOM;
+      }
+      $KeyValue++;
+    }
+  }
+  return $KeyValue;
+}
+
+# Generate key 7 value as 1/0 indicating its presence/absence or count of its
+# presence in a molecule.
+#
+# Key 7 description: GROUP VB,VIB,VIIB (V...)
+#
+sub _Generate166KeySetKey7 {
+  my($This) = @_;
+  my($Atom, $KeyValue, $AtomicNumber, $GroupNumber);
+
+  $KeyValue = 0;
+  ATOM: for $Atom (@{$This->{Atoms}}) {
+    $AtomicNumber = $Atom->GetAtomicNumber();
+    if ($AtomicNumber) {
+      $GroupNumber = PeriodicTable::GetElementGroupNumber($AtomicNumber);
+      if ($GroupNumber =~ /^(5|6|7)$/) {
+	if ($This->{KeyBits}) {
+	  $KeyValue = 1;
+	  last ATOM;
+	}
+	$KeyValue++;
+      }
+    }
+  }
+  return $KeyValue;
+}
+
+# Generate key 8 value as 1/0 indicating its presence/absence or count of its
+# presence in a molecule.
+#
+# Key 8 description: QAAA@1
+#
+sub _Generate166KeySetKey8 {
+  my($This) = @_;
+  my($Atom, $KeyValue, $RingSize);
+
+  $RingSize = 4;
+  $KeyValue = 0;
+  ATOM: for $Atom (@{$This->{Atoms}}) {
+    if ($This->_IsHeteroAtom($Atom) && $Atom->IsInRingOfSize($RingSize)) {
+      if ($This->{KeyBits}) {
+	$KeyValue = 1;
+	last ATOM;
+      }
+      $KeyValue++;
+    }
+  }
+  return $KeyValue;
+}
+
+# Generate key 9 value as 1/0 indicating its presence/absence or count of its
+# presence in a molecule.
+#
+# Key 9 description: GROUP VIII (Fe...)
+#
+sub _Generate166KeySetKey9 {
+  my($This) = @_;
+  my($Atom, $KeyValue, $AtomicNumber, $GroupNumber);
+
+  $KeyValue = 0;
+  ATOM: for $Atom (@{$This->{Atoms}}) {
+    $AtomicNumber = $Atom->GetAtomicNumber();
+    if ($AtomicNumber) {
+      $GroupNumber = PeriodicTable::GetElementGroupNumber($AtomicNumber);
+      if ($GroupNumber =~ /^(8|9|10)$/) {
+	if ($This->{KeyBits}) {
+	  $KeyValue = 1;
+	  last ATOM;
+	}
+	$KeyValue++;
+      }
+    }
+  }
+  return $KeyValue;
+}
+
+# Generate key 10 value as 1/0 indicating its presence/absence or count of its
+# presence in a molecule.
+#
+# Key 10 description: GROUP IIA (ALKALINE EARTH)
+#
+sub _Generate166KeySetKey10 {
+  my($This) = @_;
+  my($Atom, $KeyValue, $AtomicNumber, $GroupNumber);
+
+  $KeyValue = 0;
+  ATOM: for $Atom (@{$This->{Atoms}}) {
+    $AtomicNumber = $Atom->GetAtomicNumber();
+    if ($AtomicNumber) {
+      $GroupNumber = PeriodicTable::GetElementGroupNumber($AtomicNumber);
+      if ($GroupNumber =~ /^2$/) {
+	if ($This->{KeyBits}) {
+	  $KeyValue = 1;
+	  last ATOM;
+	}
+	$KeyValue++;
+      }
+    }
+  }
+  return $KeyValue;
+}
+
+# Generate key 11 value as 1/0 indicating its presence/absence or count of its
+# presence in a molecule.
+#
+# Key 11 description: 4M RING
+#
+sub _Generate166KeySetKey11 {
+  my($This) = @_;
+  my($Molecule, $KeyValue, $RingSize, $NumOfRings);
+
+  $RingSize = 4;
+  $Molecule = $This->GetMolecule();
+  $NumOfRings = $Molecule->GetNumOfRingsWithSize($RingSize);
+
+  if ($This->{KeyBits}) {
+    $KeyValue = $NumOfRings ? 1 : 0;
+  }
+  else {
+    $KeyValue = $NumOfRings;
+  }
+  return $KeyValue;
+}
+
+# Generate key 12 value as 1/0 indicating its presence/absence or count of its
+# presence in a molecule.
+#
+# Key 12 description: GROUP IB,IIB (Cu...)
+#
+sub _Generate166KeySetKey12 {
+  my($This) = @_;
+  my($Atom, $KeyValue, $AtomicNumber, $GroupNumber);
+
+  $KeyValue = 0;
+  ATOM: for $Atom (@{$This->{Atoms}}) {
+    $AtomicNumber = $Atom->GetAtomicNumber();
+    if ($AtomicNumber) {
+      $GroupNumber = PeriodicTable::GetElementGroupNumber($AtomicNumber);
+      if ($GroupNumber =~ /^(11|12)$/) {
+	if ($This->{KeyBits}) {
+	  $KeyValue = 1;
+	  last ATOM;
+	}
+	$KeyValue++;
+      }
+    }
+  }
+  return $KeyValue;
+}
+
+# Generate key 13 value as 1/0 indicating its presence/absence or count of its
+# presence in a molecule.
+#
+# Key 13 description: ON(C)C
+#
+sub _Generate166KeySetKey13 {
+  my($This) = @_;
+  my($CentralAtomSymbol, @NbrAtomSymbols, @NbrBondSymbols);
+
+  $CentralAtomSymbol = 'N';
+  @NbrAtomSymbols = ('O', 'C', 'C');
+  @NbrBondSymbols = (undef, undef, undef);
+
+  return $This->_DetectAtomNeighborhoodKeys($CentralAtomSymbol, \@NbrAtomSymbols, \@NbrBondSymbols);
+}
+
+# Generate key 14 value as 1/0 indicating its presence/absence or count of its
+# presence in a molecule.
+#
+# Key 14 description: S-S
+#
+sub _Generate166KeySetKey14 {
+  my($This) = @_;
+  my($BondOrder) = 1;
+
+  return $This->_DetectBondKeys('S', 'S', $BondOrder);
+}
+
+# Generate key 15 value as 1/0 indicating its presence/absence or count of its
+# presence in a molecule.
+#
+# Key 15 description: OC(O)O
+#
+sub _Generate166KeySetKey15 {
+  my($This) = @_;
+  my($CentralAtomSymbol, @NbrAtomSymbols, @NbrBondSymbols);
+
+  $CentralAtomSymbol = 'C';
+  @NbrAtomSymbols = ('O', 'O', 'O');
+  @NbrBondSymbols = (undef, undef, undef);
+
+  return $This->_DetectAtomNeighborhoodKeys($CentralAtomSymbol, \@NbrAtomSymbols, \@NbrBondSymbols);
+}
+
+# Generate key 16 value as 1/0 indicating its presence/absence or count of its
+# presence in a molecule.
+#
+# Key 16 description: QAA@1
+#
+sub _Generate166KeySetKey16 {
+  my($This) = @_;
+  my($Atom, $KeyValue, $RingSize);
+
+  $RingSize = 3;
+  $KeyValue = 0;
+  ATOM: for $Atom (@{$This->{Atoms}}) {
+    if ($This->_IsHeteroAtom($Atom) && $Atom->IsInRingOfSize($RingSize)) {
+      if ($This->{KeyBits}) {
+	$KeyValue = 1;
+	last ATOM;
+      }
+      $KeyValue++;
+    }
+  }
+  return $KeyValue;
+}
+
+# Generate key 17 value as 1/0 indicating its presence/absence or count of its
+# presence in a molecule.
+#
+# Key 17 description: CTC
+#
+sub _Generate166KeySetKey17 {
+  my($This) = @_;
+  my($BondOrder) = 3;
+
+  return $This->_DetectBondKeys('C', 'C', $BondOrder);
+}
+
+# Generate key 18 value as 1/0 indicating its presence/absence or count of its
+# presence in a molecule.
+#
+# Key 18 description: GROUP IIIA (B...)
+#
+sub _Generate166KeySetKey18 {
+  my($This) = @_;
+  my($Atom, $KeyValue, $AtomicNumber, $GroupNumber);
+
+  $KeyValue = 0;
+  ATOM: for $Atom (@{$This->{Atoms}}) {
+    $AtomicNumber = $Atom->GetAtomicNumber();
+    if ($AtomicNumber) {
+      $GroupNumber = PeriodicTable::GetElementGroupNumber($AtomicNumber);
+      if ($GroupNumber =~ /^13$/) {
+	if ($This->{KeyBits}) {
+	  $KeyValue = 1;
+	  last ATOM;
+	}
+	$KeyValue++;
+      }
+    }
+  }
+  return $KeyValue;
+}
+
+# Generate key 19 value as 1/0 indicating its presence/absence or count of its
+# presence in a molecule.
+#
+# Key 19 description: 7M RING
+#
+sub _Generate166KeySetKey19 {
+  my($This) = @_;
+  my($Molecule, $KeyValue, $RingSize, $NumOfRings);
+
+  $RingSize = 7;
+  $Molecule = $This->GetMolecule();
+  $NumOfRings = $Molecule->GetNumOfRingsWithSize($RingSize);
+
+  $KeyValue = 0;
+  if ($NumOfRings) {
+    $KeyValue = ($This->{KeyBits}) ? 1 : $NumOfRings;
+  }
+  return $KeyValue;
+}
+
+# Generate key 20 value as 1/0 indicating its presence/absence or count of its
+# presence in a molecule.
+#
+# Key 20 description: SI
+#
+sub _Generate166KeySetKey20 {
+  my($This) = @_;
+
+  return $This->_DetectAtomKeys('Si');
+}
+
+# Generate key 21 value as 1/0 indicating its presence/absence or count of its
+# presence in a molecule.
+#
+# Key 21 description: C=C(Q)Q
+#
+sub _Generate166KeySetKey21 {
+  my($This) = @_;
+  my($CentralAtomSymbol, @NbrAtomSymbols, @NbrBondSymbols);
+
+  $CentralAtomSymbol = 'C';
+  @NbrAtomSymbols = ('C', 'Q', 'Q');
+  @NbrBondSymbols = ('=', undef, undef);
+
+  return $This->_DetectAtomNeighborhoodKeys($CentralAtomSymbol, \@NbrAtomSymbols, \@NbrBondSymbols);
+}
+
+# Generate key 22 value as 1/0 indicating its presence/absence or count of its
+# presence in a molecule.
+#
+# Key 22 description: 3M RING
+#
+sub _Generate166KeySetKey22 {
+  my($This) = @_;
+  my($Molecule, $KeyValue, $RingSize, $NumOfRings);
+
+  $RingSize = 3;
+  $Molecule = $This->GetMolecule();
+  $NumOfRings = $Molecule->GetNumOfRingsWithSize($RingSize);
+
+  if ($This->{KeyBits}) {
+    $KeyValue = $NumOfRings ? 1 : 0;
+  }
+  else {
+    $KeyValue = $NumOfRings;
+  }
+  return $KeyValue;
+}
+
+# Generate key 23 value as 1/0 indicating its presence/absence or count of its
+# presence in a molecule.
+#
+# Key 23 description: NC(O)O
+#
+sub _Generate166KeySetKey23 {
+  my($This) = @_;
+  my($CentralAtomSymbol, @NbrAtomSymbols, @NbrBondSymbols);
+
+  $CentralAtomSymbol = 'C';
+  @NbrAtomSymbols = ('N', 'O', 'O');
+  @NbrBondSymbols = (undef, undef, undef);
+
+  return $This->_DetectAtomNeighborhoodKeys($CentralAtomSymbol, \@NbrAtomSymbols, \@NbrBondSymbols);
+}
+
+# Generate key 24 value as 1/0 indicating its presence/absence or count of its
+# presence in a molecule.
+#
+# Key 24 description: N-O
+#
+sub _Generate166KeySetKey24 {
+  my($This) = @_;
+  my($BondOrder) = 1;
+
+  return $This->_DetectBondKeys('N', 'O', $BondOrder);
+}
+
+# Generate key 25 value as 1/0 indicating its presence/absence or count of its
+# presence in a molecule.
+#
+# Key 25 description: NC(N)N
+#
+sub _Generate166KeySetKey25 {
+  my($This) = @_;
+  my($CentralAtomSymbol, @NbrAtomSymbols, @NbrBondSymbols);
+
+  $CentralAtomSymbol = 'C';
+  @NbrAtomSymbols = ('N', 'N', 'N');
+  @NbrBondSymbols = (undef, undef, undef);
+
+  return $This->_DetectAtomNeighborhoodKeys($CentralAtomSymbol, \@NbrAtomSymbols, \@NbrBondSymbols);
+}
+
+# Generate key 26 value as 1/0 indicating its presence/absence or count of its
+# presence in a molecule.
+#
+# Key 26 description: C$=C($A)$A
+#
+sub _Generate166KeySetKey26 {
+  my($This) = @_;
+  my($CentralAtomSymbol, @NbrAtomSymbols, @NbrBondSymbols);
+
+  $CentralAtomSymbol = 'C';
+  @NbrAtomSymbols = ('C', 'A', 'A');
+  @NbrBondSymbols = ('$=', '$', '$');
+
+  return $This->_DetectAtomNeighborhoodKeys($CentralAtomSymbol, \@NbrAtomSymbols, \@NbrBondSymbols);
+}
+
+# Generate key 27 value as 1/0 indicating its presence/absence or count of its
+# presence in a molecule.
+#
+# Key 27 description: I
+#
+sub _Generate166KeySetKey27 {
+  my($This) = @_;
+
+  return $This->_DetectAtomKeys('I');
+}
+
+# Generate key 28 value as 1/0 indicating its presence/absence or count of its
+# presence in a molecule.
+#
+# Key 28 description: QCH2Q
+#
+sub _Generate166KeySetKey28 {
+  my($This) = @_;
+  my($CentralAtomSymbol, $CentralAtomMinHydrogenCount, $MinKeyCount, @NbrAtomSymbols, @NbrBondSymbols);
+
+  $CentralAtomSymbol = 'C';
+  @NbrAtomSymbols = ('Q', 'Q');
+  @NbrBondSymbols = (undef, undef);
+  $MinKeyCount = undef;
+  $CentralAtomMinHydrogenCount = 2;
+
+  return $This->_DetectAtomNeighborhoodKeys($CentralAtomSymbol, \@NbrAtomSymbols, \@NbrBondSymbols, $MinKeyCount, $CentralAtomMinHydrogenCount);
+}
+
+# Generate key 29 value as 1/0 indicating its presence/absence or count of its
+# presence in a molecule.
+#
+# Key 29 description: P
+#
+sub _Generate166KeySetKey29 {
+  my($This) = @_;
+
+  return $This->_DetectAtomKeys('P');
+}
+
+# Generate key 30 value as 1/0 indicating its presence/absence or count of its
+# presence in a molecule.
+#
+# Key 30 description: CQ(C)(C)A
+#
+sub _Generate166KeySetKey30 {
+  my($This) = @_;
+  my($CentralAtomSymbol, @NbrAtomSymbols, @NbrBondSymbols);
+
+  $CentralAtomSymbol = 'Q';
+  @NbrAtomSymbols = ('C', 'C', 'C', 'A');
+  @NbrBondSymbols = (undef, undef, undef, undef);
+
+  return $This->_DetectAtomNeighborhoodKeys($CentralAtomSymbol, \@NbrAtomSymbols, \@NbrBondSymbols);
+}
+
+# Generate key 31 value as 1/0 indicating its presence/absence or count of its
+# presence in a molecule.
+#
+# Key 31 description: QX
+#
+sub _Generate166KeySetKey31 {
+  my($This) = @_;
+
+  return $This->_DetectBondKeys('Q', 'X');
+}
+
+# Generate key 32 value as 1/0 indicating its presence/absence or count of its
+# presence in a molecule.
+#
+# Key 32 description: CSN
+#
+sub _Generate166KeySetKey32 {
+  my($This) = @_;
+  my($CentralAtomSymbol, @NbrAtomSymbols, @NbrBondSymbols);
+
+  $CentralAtomSymbol = 'S';
+  @NbrAtomSymbols = ('C', 'N');
+  @NbrBondSymbols = (undef, undef);
+
+  return $This->_DetectAtomNeighborhoodKeys($CentralAtomSymbol, \@NbrAtomSymbols, \@NbrBondSymbols);
+}
+
+# Generate key 33 value as 1/0 indicating its presence/absence or count of its
+# presence in a molecule.
+#
+# Key 33 description: NS
+#
+sub _Generate166KeySetKey33 {
+  my($This) = @_;
+
+  return $This->_DetectBondKeys('N', 'S');
+}
+
+# Generate key 34 value as 1/0 indicating its presence/absence or count of its
+# presence in a molecule.
+#
+# Key 34 description: CH2=A
+#
+sub _Generate166KeySetKey34 {
+  my($This) = @_;
+  my($CentralAtomSymbol, $CentralAtomMinHydrogenCount, $MinKeyCount, @NbrAtomSymbols, @NbrBondSymbols);
+
+  $CentralAtomSymbol = 'C';
+  @NbrAtomSymbols = ('A');
+  @NbrBondSymbols = ('=');
+  $MinKeyCount = undef;
+  $CentralAtomMinHydrogenCount = 2;
+
+  return $This->_DetectAtomNeighborhoodKeys($CentralAtomSymbol, \@NbrAtomSymbols, \@NbrBondSymbols, $MinKeyCount, $CentralAtomMinHydrogenCount);
+}
+
+# Generate key 35 value as 1/0 indicating its presence/absence or count of its
+# presence in a molecule.
+#
+# Key 35 description: GROUP IA (ALKALI METAL)
+#
+sub _Generate166KeySetKey35 {
+  my($This) = @_;
+  my($Atom, $KeyValue, $AtomicNumber, $GroupNumber);
+
+  $KeyValue = 0;
+  ATOM: for $Atom (@{$This->{Atoms}}) {
+    $AtomicNumber = $Atom->GetAtomicNumber();
+    if ($AtomicNumber) {
+      $GroupNumber = PeriodicTable::GetElementGroupNumber($AtomicNumber);
+      if ($GroupNumber =~ /^1$/) {
+	if ($This->{KeyBits}) {
+	  $KeyValue = 1;
+	  last ATOM;
+	}
+	$KeyValue++;
+      }
+    }
+  }
+  return $KeyValue;
+}
+
+# Generate key 36 value as 1/0 indicating its presence/absence or count of its
+# presence in a molecule.
+#
+# Key 36 description: S HETEROCYCLE
+#
+sub _Generate166KeySetKey36 {
+  my($This) = @_;
+  my($MinKeyCount, $IsInRing) = (1, 1);
+
+  return $This->_DetectAtomKeys('S', $MinKeyCount, $IsInRing);
+}
+
+# Generate key 37 value as 1/0 indicating its presence/absence or count of its
+# presence in a molecule.
+#
+# Key 37 description: NC(O)N
+#
+sub _Generate166KeySetKey37 {
+  my($This) = @_;
+  my($CentralAtomSymbol, @NbrAtomSymbols, @NbrBondSymbols);
+
+  $CentralAtomSymbol = 'C';
+  @NbrAtomSymbols = ('N', 'O', 'N');
+  @NbrBondSymbols = (undef, undef, undef);
+
+  return $This->_DetectAtomNeighborhoodKeys($CentralAtomSymbol, \@NbrAtomSymbols, \@NbrBondSymbols);
+}
+
+# Generate key 38 value as 1/0 indicating its presence/absence or count of its
+# presence in a molecule.
+#
+# Key 38 description: NC(C)N
+#
+sub _Generate166KeySetKey38 {
+  my($This) = @_;
+  my($CentralAtomSymbol, @NbrAtomSymbols, @NbrBondSymbols);
+
+  $CentralAtomSymbol = 'C';
+  @NbrAtomSymbols = ('N', 'C', 'N');
+  @NbrBondSymbols = (undef, undef, undef);
+
+  return $This->_DetectAtomNeighborhoodKeys($CentralAtomSymbol, \@NbrAtomSymbols, \@NbrBondSymbols);
+}
+
+# Generate key 39 value as 1/0 indicating its presence/absence or count of its
+# presence in a molecule.
+#
+# Key 39 description: OS(O)O
+#
+sub _Generate166KeySetKey39 {
+  my($This) = @_;
+  my($CentralAtomSymbol, @NbrAtomSymbols, @NbrBondSymbols);
+
+  $CentralAtomSymbol = 'S';
+  @NbrAtomSymbols = ('O', 'O', 'O');
+  @NbrBondSymbols = (undef, undef, undef);
+
+  return $This->_DetectAtomNeighborhoodKeys($CentralAtomSymbol, \@NbrAtomSymbols, \@NbrBondSymbols);
+}
+
+# Generate key 40 value as 1/0 indicating its presence/absence or count of its
+# presence in a molecule.
+#
+# Key 40 description: S-O
+#
+sub _Generate166KeySetKey40 {
+  my($This) = @_;
+  my($BondOrder) = 1;
+
+  return $This->_DetectBondKeys('S', 'O', $BondOrder);
+}
+
+# Generate key 41 value as 1/0 indicating its presence/absence or count of its
+# presence in a molecule.
+#
+# Key 41 description: CTN
+#
+sub _Generate166KeySetKey41 {
+  my($This) = @_;
+  my($BondOrder) = 3;
+
+  return $This->_DetectBondKeys('C', 'N', $BondOrder);
+}
+
+# Generate key 42 value as 1/0 indicating its presence/absence or count of its
+# presence in a molecule.
+#
+# Key 42 description: F
+#
+sub _Generate166KeySetKey42 {
+  my($This) = @_;
+
+  return $This->_DetectAtomKeys('F');
+}
+
+# Generate key 43 value as 1/0 indicating its presence/absence or count of its
+# presence in a molecule.
+#
+# Key 43 description: QHAQH
+#
+sub _Generate166KeySetKey43 {
+  my($This) = @_;
+  my($CentralAtomSymbol, $CentralAtomMinHydrogenCount, $MinKeyCount, @NbrAtomSymbols, @NbrBondSymbols, @NbrAtomMinHydrogenCount);
+
+  $CentralAtomSymbol = 'A';
+  $CentralAtomMinHydrogenCount = undef;
+
+  @NbrAtomSymbols = ('Q', 'Q');
+  @NbrBondSymbols = (undef, undef);
+  @NbrAtomMinHydrogenCount = (1, 1);
+
+  $MinKeyCount = undef;
+
+  return $This->_DetectAtomNeighborhoodKeys($CentralAtomSymbol, \@NbrAtomSymbols, \@NbrBondSymbols, $MinKeyCount, $CentralAtomMinHydrogenCount, \@NbrAtomMinHydrogenCount);
+}
+
+# Generate key 44 value as 1/0 indicating its presence/absence or count of its
+# presence in a molecule.
+#
+# Key 44 description: OTHER
+#
+sub _Generate166KeySetKey44 {
+  my($This) = @_;
+
+  return $This->_DetectAtomKeys('Z');
+}
+
+# Generate key 45 value as 1/0 indicating its presence/absence or count of its
+# presence in a molecule.
+#
+# Key 45 description: C=CN
+#
+sub _Generate166KeySetKey45 {
+  my($This) = @_;
+  my($CentralAtomSymbol, @NbrAtomSymbols, @NbrBondSymbols);
+
+  $CentralAtomSymbol = 'C';
+  @NbrAtomSymbols = ('C', 'N');
+  @NbrBondSymbols = ('=', undef);
+
+  return $This->_DetectAtomNeighborhoodKeys($CentralAtomSymbol, \@NbrAtomSymbols, \@NbrBondSymbols);
+}
+
+# Generate key 46 value as 1/0 indicating its presence/absence or count of its
+# presence in a molecule.
+#
+# Key 46 description: BR
+#
+sub _Generate166KeySetKey46 {
+  my($This) = @_;
+
+  return $This->_DetectAtomKeys('Br');
+}
+
+# Generate key 47 value as 1/0 indicating its presence/absence or count of its
+# presence in a molecule.
+#
+# Key 47 description: SAN
+#
+sub _Generate166KeySetKey47 {
+  my($This) = @_;
+  my($CentralAtomSymbol, @NbrAtomSymbols, @NbrBondSymbols);
+
+  $CentralAtomSymbol = 'A';
+  @NbrAtomSymbols = ('S', 'N');
+  @NbrBondSymbols = (undef, undef);
+
+  return $This->_DetectAtomNeighborhoodKeys($CentralAtomSymbol, \@NbrAtomSymbols, \@NbrBondSymbols);
+}
+
+# Generate key 48 value as 1/0 indicating its presence/absence or count of its
+# presence in a molecule.
+#
+# Key 48 description: OQ(O)O
+#
+sub _Generate166KeySetKey48 {
+  my($This) = @_;
+  my($CentralAtomSymbol, @NbrAtomSymbols, @NbrBondSymbols);
+
+  $CentralAtomSymbol = 'Q';
+  @NbrAtomSymbols = ('O', 'O', 'O');
+  @NbrBondSymbols = (undef, undef, undef);
+
+  return $This->_DetectAtomNeighborhoodKeys($CentralAtomSymbol, \@NbrAtomSymbols, \@NbrBondSymbols);
+}
+
+# Generate key 49 value as 1/0 indicating its presence/absence or count of its
+# presence in a molecule.
+#
+# Key 49 description: CHARGE
+#
+sub _Generate166KeySetKey49 {
+  my($This) = @_;
+  my($Molecule, $KeyValue);
+
+  $Molecule = $This->GetMolecule();
+  $KeyValue = $Molecule->GetFormalCharge() ? 1 : 0;
+
+  return $KeyValue;
+}
+
+# Generate key 50 value as 1/0 indicating its presence/absence or count of its
+# presence in a molecule.
+#
+# Key 50 description: C=C(C)C
+#
+sub _Generate166KeySetKey50 {
+  my($This) = @_;
+  my($CentralAtomSymbol, @NbrAtomSymbols, @NbrBondSymbols);
+
+  $CentralAtomSymbol = 'C';
+  @NbrAtomSymbols = ('C', 'C', 'C');
+  @NbrBondSymbols = ('=', undef, undef);
+
+  return $This->_DetectAtomNeighborhoodKeys($CentralAtomSymbol, \@NbrAtomSymbols, \@NbrBondSymbols);
+}
+
+# Generate key 51 value as 1/0 indicating its presence/absence or count of its
+# presence in a molecule.
+#
+# Key 51 description: CSO
+#
+sub _Generate166KeySetKey51 {
+  my($This) = @_;
+  my($CentralAtomSymbol, @NbrAtomSymbols, @NbrBondSymbols);
+
+  $CentralAtomSymbol = 'S';
+  @NbrAtomSymbols = ('C', 'O');
+  @NbrBondSymbols = (undef, undef);
+
+  return $This->_DetectAtomNeighborhoodKeys($CentralAtomSymbol, \@NbrAtomSymbols, \@NbrBondSymbols);
+}
+
+# Generate key 52 value as 1/0 indicating its presence/absence or count of its
+# presence in a molecule.
+#
+# Key 52 description: NN
+#
+sub _Generate166KeySetKey52 {
+  my($This) = @_;
+
+  return $This->_DetectBondKeys('N', 'N');
+}
+
+# Generate key 53 value as 1/0 indicating its presence/absence or count of its
+# presence in a molecule.
+#
+# Key 53 description: QHAAAQH
+#
+sub _Generate166KeySetKey53 {
+  my($This) = @_;
+  my(@CentralAtomsSymbols, @CentralAtomsBondSymbols, @CentralAtomsMinHydrogenCount);
+
+  @CentralAtomsSymbols = ('Q', 'A', 'A', 'A', 'Q');
+  @CentralAtomsBondSymbols = (undef, undef, undef, undef);
+  @CentralAtomsMinHydrogenCount = (1, undef, undef, undef, 1);
+
+  return $This->_DetectExtendedAtomNeighborhoodKeys(\@CentralAtomsSymbols, \@CentralAtomsBondSymbols, \@CentralAtomsMinHydrogenCount);
+}
+
+# Generate key 54 value as 1/0 indicating its presence/absence or count of its
+# presence in a molecule.
+#
+# Key 54 description: QHAAQH
+#
+sub _Generate166KeySetKey54 {
+  my($This) = @_;
+  my(@CentralAtomsSymbols, @CentralAtomsBondSymbols, @CentralAtomsMinHydrogenCount);
+
+  @CentralAtomsSymbols = ('Q', 'A', 'A', 'Q');
+  @CentralAtomsBondSymbols = (undef, undef, undef);
+  @CentralAtomsMinHydrogenCount = (1, undef, undef, 1);
+
+  return $This->_DetectExtendedAtomNeighborhoodKeys(\@CentralAtomsSymbols, \@CentralAtomsBondSymbols, \@CentralAtomsMinHydrogenCount);
+}
+
+# Generate key 55 value as 1/0 indicating its presence/absence or count of its
+# presence in a molecule.
+#
+# Key 55 description: OSO
+#
+sub _Generate166KeySetKey55 {
+  my($This) = @_;
+  my($CentralAtomSymbol, @NbrAtomSymbols, @NbrBondSymbols);
+
+  $CentralAtomSymbol = 'S';
+  @NbrAtomSymbols = ('O', 'O');
+  @NbrBondSymbols = (undef, undef);
+
+  return $This->_DetectAtomNeighborhoodKeys($CentralAtomSymbol, \@NbrAtomSymbols, \@NbrBondSymbols);
+}
+
+# Generate key 56 value as 1/0 indicating its presence/absence or count of its
+# presence in a molecule.
+#
+# Key 56 description: ON(O)C
+#
+sub _Generate166KeySetKey56 {
+  my($This) = @_;
+  my($CentralAtomSymbol, @NbrAtomSymbols, @NbrBondSymbols);
+
+  $CentralAtomSymbol = 'N';
+  @NbrAtomSymbols = ('O', 'O', 'C');
+  @NbrBondSymbols = (undef, undef, undef);
+
+  return $This->_DetectAtomNeighborhoodKeys($CentralAtomSymbol, \@NbrAtomSymbols, \@NbrBondSymbols);
+}
+
+# Generate key 57 value as 1/0 indicating its presence/absence or count of its
+# presence in a molecule.
+#
+# Key 57 description: O HETEROCYCLE
+#
+sub _Generate166KeySetKey57 {
+  my($This) = @_;
+  my($MinKeyCount, $IsInRing) = (undef, 1);
+
+  return $This->_DetectAtomKeys('O', $MinKeyCount, $IsInRing);
+}
+
+# Generate key 58 value as 1/0 indicating its presence/absence or count of its
+# presence in a molecule.
+#
+# Key 58 description: QSQ
+#
+sub _Generate166KeySetKey58 {
+  my($This) = @_;
+  my($CentralAtomSymbol, @NbrAtomSymbols, @NbrBondSymbols);
+
+  $CentralAtomSymbol = 'S';
+  @NbrAtomSymbols = ('Q', 'Q');
+  @NbrBondSymbols = (undef, undef);
+
+  return $This->_DetectAtomNeighborhoodKeys($CentralAtomSymbol, \@NbrAtomSymbols, \@NbrBondSymbols);
+}
+
+# Generate key 59 value as 1/0 indicating its presence/absence or count of its
+# presence in a molecule.
+#
+# Key 59 description: Snot%A%A
+#
+sub _Generate166KeySetKey59 {
+  my($This) = @_;
+  my($CentralAtomSymbol, @NbrAtomSymbols, @NbrBondSymbols);
+
+  $CentralAtomSymbol = 'A';
+  @NbrAtomSymbols = ('S', 'A');
+  @NbrBondSymbols = ('not%', '%');
+
+  return $This->_DetectAtomNeighborhoodKeys($CentralAtomSymbol, \@NbrAtomSymbols, \@NbrBondSymbols);
+}
+
+# Generate key 60 value as 1/0 indicating its presence/absence or count of its
+# presence in a molecule.
+#
+# Key 60 description: S=O
+#
+sub _Generate166KeySetKey60 {
+  my($This) = @_;
+  my($BondOrder) = 2;
+
+  return $This->_DetectBondKeys('S', 'O', $BondOrder);
+}
+
+# Generate key 61 value as 1/0 indicating its presence/absence or count of its
+# presence in a molecule.
+#
+# Key 61 description: AS(A)A
+#
+sub _Generate166KeySetKey61 {
+  my($This) = @_;
+  my($CentralAtomSymbol, @NbrAtomSymbols, @NbrBondSymbols);
+
+  $CentralAtomSymbol = 'S';
+  @NbrAtomSymbols = ('A', 'A', 'A');
+  @NbrBondSymbols = (undef, undef, undef);
+
+  return $This->_DetectAtomNeighborhoodKeys($CentralAtomSymbol, \@NbrAtomSymbols, \@NbrBondSymbols);
+}
+
+# Generate key 62 value as 1/0 indicating its presence/absence or count of its
+# presence in a molecule.
+#
+# Key 62 description: A$A!A$A
+#
+sub _Generate166KeySetKey62 {
+  my($This) = @_;
+  my($BondAtomSymbol1, $BondAtomSymbol2, $BondSymbol, @NbrAtomsSymbols, @NbrAtomsBondSymbols);
+
+  ($BondAtomSymbol1, $BondAtomSymbol2) = ('A', 'A');
+  $BondSymbol = '!';
+
+  @NbrAtomsSymbols = (['A'], ['A']);
+  @NbrAtomsBondSymbols = (['$'], ['$']);
+  return $This->_DetectBondNeighborhoodKeys($BondAtomSymbol1, $BondAtomSymbol2, $BondSymbol, \@NbrAtomsSymbols, \@NbrAtomsBondSymbols);
+}
+
+# Generate key 63 value as 1/0 indicating its presence/absence or count of its
+# presence in a molecule.
+#
+# Key 63 description: N=O
+#
+sub _Generate166KeySetKey63 {
+  my($This) = @_;
+  my($BondOrder) = 2;
+
+  return $This->_DetectBondKeys('N', 'O', $BondOrder);
+}
+
+# Generate key 64 value as 1/0 indicating its presence/absence or count of its
+# presence in a molecule.
+#
+# Key 64 description: A$A!S
+#
+sub _Generate166KeySetKey64 {
+  my($This) = @_;
+  my($CentralAtomSymbol, @NbrAtomSymbols, @NbrBondSymbols);
+
+  $CentralAtomSymbol = 'A';
+  @NbrAtomSymbols = ('A', 'S');
+  @NbrBondSymbols = ('$', '!');
+
+  return $This->_DetectAtomNeighborhoodKeys($CentralAtomSymbol, \@NbrAtomSymbols, \@NbrBondSymbols);
+}
+
+# Generate key 65 value as 1/0 indicating its presence/absence or count of its
+# presence in a molecule.
+#
+# Key 65 description: C%N
+#
+sub _Generate166KeySetKey65 {
+  my($This) = @_;
+  my($BondSymbol) = '%';
+
+  return $This->_DetectBondKeys('C', 'N', $BondSymbol);
+}
+
+# Generate key 66 value as 1/0 indicating its presence/absence or count of its
+# presence in a molecule.
+#
+# Key 66 description: CC(C)(C)A
+#
+sub _Generate166KeySetKey66 {
+  my($This) = @_;
+  my($CentralAtomSymbol, @NbrAtomSymbols, @NbrBondSymbols);
+
+  $CentralAtomSymbol = 'C';
+  @NbrAtomSymbols = ('C', 'C', 'C', 'A');
+  @NbrBondSymbols = (undef, undef, undef, undef);
+
+  return $This->_DetectAtomNeighborhoodKeys($CentralAtomSymbol, \@NbrAtomSymbols, \@NbrBondSymbols);
+}
+
+# Generate key 67 value as 1/0 indicating its presence/absence or count of its
+# presence in a molecule.
+#
+# Key 67 description: QS
+#
+sub _Generate166KeySetKey67 {
+  my($This) = @_;
+
+  return $This->_DetectBondKeys('Q', 'S');
+}
+
+# Generate key 68 value as 1/0 indicating its presence/absence or count of its
+# presence in a molecule.
+#
+# Key 68 description: QHQH (&...)
+#
+sub _Generate166KeySetKey68 {
+  my($This) = @_;
+  my($AtomSymbol1, $AtomSymbol2, $BondSymbol) = ('Q', 'Q', undef);
+  my($MinKeyCount) = undef;
+  my($Atom1MinHydrogenCount, $Atom2MinHydrogenCount) = (1, 1);
+
+  return $This->_DetectBondKeys($AtomSymbol1, $AtomSymbol2, $BondSymbol, $MinKeyCount, $Atom1MinHydrogenCount, $Atom2MinHydrogenCount);
+}
+
+# Generate key 69 value as 1/0 indicating its presence/absence or count of its
+# presence in a molecule.
+#
+# Key 69 description: QQH
+#
+sub _Generate166KeySetKey69 {
+  my($This) = @_;
+  my($AtomSymbol1, $AtomSymbol2, $BondSymbol) = ('Q', 'Q', undef);
+  my($MinKeyCount) = undef;
+  my($Atom1MinHydrogenCount, $Atom2MinHydrogenCount) = (undef, 1);
+
+  return $This->_DetectBondKeys($AtomSymbol1, $AtomSymbol2, $BondSymbol, $MinKeyCount, $Atom1MinHydrogenCount, $Atom2MinHydrogenCount);
+}
+
+# Generate key 70 value as 1/0 indicating its presence/absence or count of its
+# presence in a molecule.
+#
+# Key 70 description: QNQ
+#
+sub _Generate166KeySetKey70 {
+  my($This) = @_;
+  my($CentralAtomSymbol, @NbrAtomSymbols, @NbrBondSymbols);
+
+  $CentralAtomSymbol = 'N';
+  @NbrAtomSymbols = ('Q', 'Q');
+  @NbrBondSymbols = (undef, undef);
+
+  return $This->_DetectAtomNeighborhoodKeys($CentralAtomSymbol, \@NbrAtomSymbols, \@NbrBondSymbols);
+}
+
+# Generate key 71 value as 1/0 indicating its presence/absence or count of its
+# presence in a molecule.
+#
+# Key 71 description: NO
+#
+sub _Generate166KeySetKey71 {
+  my($This) = @_;
+
+  return $This->_DetectBondKeys('N', 'O');
+}
+
+# Generate key 72 value as 1/0 indicating its presence/absence or count of its
+# presence in a molecule.
+#
+# Key 72 description: OAAO
+#
+sub _Generate166KeySetKey72 {
+  my($This) = @_;
+  my(@CentralAtomsSymbols, @CentralAtomsBondSymbols);
+
+  @CentralAtomsSymbols = ('O', 'A', 'A', 'O');
+  @CentralAtomsBondSymbols = (undef, undef, undef);
+
+  return $This->_DetectExtendedAtomNeighborhoodKeys(\@CentralAtomsSymbols, \@CentralAtomsBondSymbols);
+}
+
+# Generate key 73 value as 1/0 indicating its presence/absence or count of its
+# presence in a molecule.
+#
+# Key 73 description: S=A
+#
+sub _Generate166KeySetKey73 {
+  my($This) = @_;
+  my($BondOrder) = 2;
+
+  return $This->_DetectBondKeys('S', 'A', $BondOrder);
+}
+
+# Generate key 74 value as 1/0 indicating its presence/absence or count of its
+# presence in a molecule.
+#
+# Key 74 description: CH3ACH3
+#
+sub _Generate166KeySetKey74 {
+  my($This) = @_;
+  my($CentralAtomSymbol, $CentralAtomMinHydrogenCount, $MinKeyCount, @NbrAtomSymbols, @NbrBondSymbols, @NbrAtomMinHydrogenCount);
+
+  $CentralAtomSymbol = 'A';
+  $CentralAtomMinHydrogenCount = undef;
+
+  @NbrAtomSymbols = ('C', 'C');
+  @NbrBondSymbols = (undef, undef);
+  @NbrAtomMinHydrogenCount = (3, 3);
+
+  $MinKeyCount = undef;
+
+  return $This->_DetectAtomNeighborhoodKeys($CentralAtomSymbol, \@NbrAtomSymbols, \@NbrBondSymbols, $MinKeyCount, $CentralAtomMinHydrogenCount, \@NbrAtomMinHydrogenCount);
+}
+
+# Generate key 75 value as 1/0 indicating its presence/absence or count of its
+# presence in a molecule.
+#
+# Key 75 description: A!N$A
+#
+sub _Generate166KeySetKey75 {
+  my($This) = @_;
+  my($CentralAtomSymbol, @NbrAtomSymbols, @NbrBondSymbols);
+
+  $CentralAtomSymbol = 'N';
+  @NbrAtomSymbols = ('A', 'A');
+  @NbrBondSymbols = ('!', '$');
+
+  return $This->_DetectAtomNeighborhoodKeys($CentralAtomSymbol, \@NbrAtomSymbols, \@NbrBondSymbols);
+}
+
+# Generate key 76 value as 1/0 indicating its presence/absence or count of its
+# presence in a molecule.
+#
+# Key 76 description: C=C(A)A
+#
+sub _Generate166KeySetKey76 {
+  my($This) = @_;
+  my($CentralAtomSymbol, @NbrAtomSymbols, @NbrBondSymbols);
+
+  $CentralAtomSymbol = 'C';
+  @NbrAtomSymbols = ('C', 'A', 'A');
+  @NbrBondSymbols = ('=', undef, undef);
+
+  return $This->_DetectAtomNeighborhoodKeys($CentralAtomSymbol, \@NbrAtomSymbols, \@NbrBondSymbols);
+}
+
+# Generate key 77 value as 1/0 indicating its presence/absence or count of its
+# presence in a molecule.
+#
+# Key 77 description: NAN
+#
+sub _Generate166KeySetKey77 {
+  my($This) = @_;
+  my($CentralAtomSymbol, @NbrAtomSymbols, @NbrBondSymbols);
+
+  $CentralAtomSymbol = 'A';
+  @NbrAtomSymbols = ('N', 'N');
+  @NbrBondSymbols = (undef, undef);
+
+  return $This->_DetectAtomNeighborhoodKeys($CentralAtomSymbol, \@NbrAtomSymbols, \@NbrBondSymbols);
+}
+
+# Generate key 78 value as 1/0 indicating its presence/absence or count of its
+# presence in a molecule.
+#
+# Key 78 description: C=N
+#
+sub _Generate166KeySetKey78 {
+  my($This) = @_;
+  my($BondOrder) = 2;
+
+  return $This->_DetectBondKeys('C', 'N', $BondOrder);
+}
+
+# Generate key 79 value as 1/0 indicating its presence/absence or count of its
+# presence in a molecule.
+#
+# Key 79 description: NAAN
+#
+sub _Generate166KeySetKey79 {
+  my($This) = @_;
+  my(@CentralAtomsSymbols, @CentralAtomsBondSymbols);
+
+  @CentralAtomsSymbols = ('N', 'A', 'A', 'N');
+  @CentralAtomsBondSymbols = (undef, undef, undef);
+
+  return $This->_DetectExtendedAtomNeighborhoodKeys(\@CentralAtomsSymbols, \@CentralAtomsBondSymbols);
+}
+
+# Generate key 80 value as 1/0 indicating its presence/absence or count of its
+# presence in a molecule.
+#
+# Key 80 description: NAAAN
+#
+sub _Generate166KeySetKey80 {
+  my($This) = @_;
+  my(@CentralAtomsSymbols, @CentralAtomsBondSymbols);
+
+  @CentralAtomsSymbols = ('N', 'A', 'A', 'A', 'N');
+  @CentralAtomsBondSymbols = (undef, undef, undef, undef);
+
+  return $This->_DetectExtendedAtomNeighborhoodKeys(\@CentralAtomsSymbols, \@CentralAtomsBondSymbols);
+}
+
+# Generate key 81 value as 1/0 indicating its presence/absence or count of its
+# presence in a molecule.
+#
+# Key 81 description: SA(A)A
+#
+sub _Generate166KeySetKey81 {
+  my($This) = @_;
+  my($CentralAtomSymbol, @NbrAtomSymbols, @NbrBondSymbols);
+
+  $CentralAtomSymbol = 'A';
+  @NbrAtomSymbols = ('S', 'A', 'A');
+  @NbrBondSymbols = (undef, undef, undef);
+
+  return $This->_DetectAtomNeighborhoodKeys($CentralAtomSymbol, \@NbrAtomSymbols, \@NbrBondSymbols);
+}
+
+# Generate key 82 value as 1/0 indicating its presence/absence or count of its
+# presence in a molecule.
+#
+# Key 82 description: ACH2QH
+#
+sub _Generate166KeySetKey82 {
+  my($This) = @_;
+  my($CentralAtomSymbol, $CentralAtomMinHydrogenCount, $MinKeyCount, @NbrAtomSymbols, @NbrBondSymbols, @NbrAtomMinHydrogenCount);
+
+  $CentralAtomSymbol = 'C';
+  $CentralAtomMinHydrogenCount = 2;
+
+  @NbrAtomSymbols = ('A', 'Q');
+  @NbrBondSymbols = (undef, undef);
+  @NbrAtomMinHydrogenCount = (undef, 1);
+
+  $MinKeyCount = undef;
+
+  return $This->_DetectAtomNeighborhoodKeys($CentralAtomSymbol, \@NbrAtomSymbols, \@NbrBondSymbols, $MinKeyCount, $CentralAtomMinHydrogenCount, \@NbrAtomMinHydrogenCount);
+}
+
+# Generate key 83 value as 1/0 indicating its presence/absence or count of its
+# presence in a molecule.
+#
+# Key 83 description: QAAAA@1
+#
+sub _Generate166KeySetKey83 {
+  my($This) = @_;
+  my($Atom, $KeyValue, $RingSize);
+
+  $RingSize = 5;
+  $KeyValue = 0;
+  ATOM: for $Atom (@{$This->{Atoms}}) {
+    if ($This->_IsHeteroAtom($Atom) && $Atom->IsInRingOfSize($RingSize)) {
+      if ($This->{KeyBits}) {
+	$KeyValue = 1;
+	last ATOM;
+      }
+      $KeyValue++;
+    }
+  }
+  return $KeyValue;
+}
+
+# Generate key 84 value as 1/0 indicating its presence/absence or count of its
+# presence in a molecule.
+#
+# Key 84 description: NH2
+#
+sub _Generate166KeySetKey84 {
+  my($This) = @_;
+  my($MinKeyCount, $IsInRing, $MinHydrogenCount) = (undef, undef, 2);
+
+  return $This->_DetectAtomKeys('N', $MinKeyCount, $IsInRing, $MinHydrogenCount);
+}
+
+# Generate key 85 value as 1/0 indicating its presence/absence or count of its
+# presence in a molecule.
+#
+# Key 85 description: CN(C)C
+#
+sub _Generate166KeySetKey85 {
+  my($This) = @_;
+  my($CentralAtomSymbol, @NbrAtomSymbols, @NbrBondSymbols);
+
+  $CentralAtomSymbol = 'N';
+  @NbrAtomSymbols = ('C', 'C', 'C');
+  @NbrBondSymbols = (undef, undef, undef);
+
+  return $This->_DetectAtomNeighborhoodKeys($CentralAtomSymbol, \@NbrAtomSymbols, \@NbrBondSymbols);
+}
+
+# Generate key 86 value as 1/0 indicating its presence/absence or count of its
+# presence in a molecule.
+#
+# Key 86 description: CH2QCH2
+#
+sub _Generate166KeySetKey86 {
+  my($This) = @_;
+  my($CentralAtomSymbol, $CentralAtomMinHydrogenCount, $MinKeyCount, @NbrAtomSymbols, @NbrBondSymbols, @NbrAtomMinHydrogenCount);
+
+  $CentralAtomSymbol = 'Q';
+  $CentralAtomMinHydrogenCount = undef;
+
+  @NbrAtomSymbols = ('C', 'C');
+  @NbrBondSymbols = (undef, undef);
+  @NbrAtomMinHydrogenCount = (2, 2);
+
+  $MinKeyCount = undef;
+
+  return $This->_DetectAtomNeighborhoodKeys($CentralAtomSymbol, \@NbrAtomSymbols, \@NbrBondSymbols, $MinKeyCount, $CentralAtomMinHydrogenCount, \@NbrAtomMinHydrogenCount);
+}
+
+# Generate key 87 value as 1/0 indicating its presence/absence or count of its
+# presence in a molecule.
+#
+# Key 87 description: X!A$A
+#
+sub _Generate166KeySetKey87 {
+  my($This) = @_;
+  my($CentralAtomSymbol, @NbrAtomSymbols, @NbrBondSymbols);
+
+  $CentralAtomSymbol = 'A';
+  @NbrAtomSymbols = ('X', 'A');
+  @NbrBondSymbols = ('!', '$');
+
+  return $This->_DetectAtomNeighborhoodKeys($CentralAtomSymbol, \@NbrAtomSymbols, \@NbrBondSymbols);
+}
+
+# Generate key 88 value as 1/0 indicating its presence/absence or count of its
+# presence in a molecule.
+#
+# Key 88 description: S
+#
+sub _Generate166KeySetKey88 {
+  my($This) = @_;
+
+  return $This->_DetectAtomKeys('S');
+}
+
+# Generate key 89 value as 1/0 indicating its presence/absence or count of its
+# presence in a molecule.
+#
+# Key 89 description: OAAAO
+#
+sub _Generate166KeySetKey89 {
+  my($This) = @_;
+  my(@CentralAtomsSymbols, @CentralAtomsBondSymbols);
+
+  @CentralAtomsSymbols = ('O', 'A', 'A', 'A', 'O');
+  @CentralAtomsBondSymbols = (undef, undef, undef, undef);
+
+  return $This->_DetectExtendedAtomNeighborhoodKeys(\@CentralAtomsSymbols, \@CentralAtomsBondSymbols);
+}
+
+# Generate key 90 value as 1/0 indicating its presence/absence or count of its
+# presence in a molecule.
+#
+# Key 90 description: QHAACH2A
+#
+sub _Generate166KeySetKey90 {
+  my($This) = @_;
+  my(@CentralAtomsSymbols, @CentralAtomsBondSymbols, @CentralAtomsMinHydrogenCount);
+
+  @CentralAtomsSymbols = ('Q', 'A', 'A', 'C', 'A');
+  @CentralAtomsBondSymbols = (undef, undef, undef, undef);
+  @CentralAtomsMinHydrogenCount = (1, undef, undef, 2, undef);
+
+  return $This->_DetectExtendedAtomNeighborhoodKeys(\@CentralAtomsSymbols, \@CentralAtomsBondSymbols, \@CentralAtomsMinHydrogenCount);
+}
+
+# Generate key 91 value as 1/0 indicating its presence/absence or count of its
+# presence in a molecule.
+#
+# Key 91 description: QHAAACH2A
+#
+sub _Generate166KeySetKey91 {
+  my($This) = @_;
+  my(@CentralAtomsSymbols, @CentralAtomsBondSymbols, @CentralAtomsMinHydrogenCount);
+
+  @CentralAtomsSymbols = ('Q', 'A', 'A', 'A', 'C', 'A');
+  @CentralAtomsBondSymbols = (undef, undef, undef, undef, undef);
+  @CentralAtomsMinHydrogenCount = (1, undef, undef, undef, 2, undef);
+
+  return $This->_DetectExtendedAtomNeighborhoodKeys(\@CentralAtomsSymbols, \@CentralAtomsBondSymbols, \@CentralAtomsMinHydrogenCount);
+}
+
+# Generate key 92 value as 1/0 indicating its presence/absence or count of its
+# presence in a molecule.
+#
+# Key 92 description: OC(N)C
+#
+sub _Generate166KeySetKey92 {
+  my($This) = @_;
+  my($CentralAtomSymbol, @NbrAtomSymbols, @NbrBondSymbols);
+
+  $CentralAtomSymbol = 'C';
+  @NbrAtomSymbols = ('O', 'N', 'C');
+  @NbrBondSymbols = (undef, undef, undef);
+
+  return $This->_DetectAtomNeighborhoodKeys($CentralAtomSymbol, \@NbrAtomSymbols, \@NbrBondSymbols);
+}
+
+# Generate key 93 value as 1/0 indicating its presence/absence or count of its
+# presence in a molecule.
+#
+# Key 93 description: QCH3
+#
+sub _Generate166KeySetKey93 {
+  my($This) = @_;
+  my($AtomSymbol1, $AtomSymbol2, $BondSymbol) = ('Q', 'C', undef);
+  my($MinKeyCount) = undef;
+  my($Atom1MinHydrogenCount, $Atom2MinHydrogenCount) = (undef, 3);
+
+  return $This->_DetectBondKeys($AtomSymbol1, $AtomSymbol2, $BondSymbol, $MinKeyCount, $Atom1MinHydrogenCount, $Atom2MinHydrogenCount);
+}
+
+# Generate key 94 value as 1/0 indicating its presence/absence or count of its
+# presence in a molecule.
+#
+# Key 94 description: QN
+#
+sub _Generate166KeySetKey94 {
+  my($This) = @_;
+
+  return $This->_DetectBondKeys('Q', 'N');
+}
+
+# Generate key 95 value as 1/0 indicating its presence/absence or count of its
+# presence in a molecule.
+#
+# Key 95 description: NAAO
+#
+sub _Generate166KeySetKey95 {
+  my($This) = @_;
+  my(@CentralAtomsSymbols, @CentralAtomsBondSymbols);
+
+  @CentralAtomsSymbols = ('N', 'A', 'A', 'O');
+  @CentralAtomsBondSymbols = (undef, undef, undef);
+
+  return $This->_DetectExtendedAtomNeighborhoodKeys(\@CentralAtomsSymbols, \@CentralAtomsBondSymbols);
+}
+
+# Generate key 96 value as 1/0 indicating its presence/absence or count of its
+# presence in a molecule.
+#
+# Key 96 description: 5M RING
+#
+sub _Generate166KeySetKey96 {
+  my($This) = @_;
+  my($Molecule, $KeyValue, $RingSize, $NumOfRings);
+
+  $RingSize = 5;
+  $Molecule = $This->GetMolecule();
+  $NumOfRings = $Molecule->GetNumOfRingsWithSize($RingSize);
+
+  if ($This->{KeyBits}) {
+    $KeyValue = $NumOfRings ? 1 : 0;
+  }
+  else {
+    $KeyValue = $NumOfRings;
+  }
+  return $KeyValue;
+}
+
+# Generate key 97 value as 1/0 indicating its presence/absence or count of its
+# presence in a molecule.
+#
+# Key 97 description: NAAAO
+#
+sub _Generate166KeySetKey97 {
+  my($This) = @_;
+  my(@CentralAtomsSymbols, @CentralAtomsBondSymbols);
+
+  @CentralAtomsSymbols = ('N', 'A', 'A', 'A', 'O');
+  @CentralAtomsBondSymbols = (undef, undef, undef, undef);
+
+  return $This->_DetectExtendedAtomNeighborhoodKeys(\@CentralAtomsSymbols, \@CentralAtomsBondSymbols);
+}
+
+# Generate key 98 value as 1/0 indicating its presence/absence or count of its
+# presence in a molecule.
+#
+# Key 98 description: QAAAAA@1
+#
+sub _Generate166KeySetKey98 {
+  my($This) = @_;
+  my($Atom, $KeyValue, $RingSize);
+
+  $RingSize = 6;
+  $KeyValue = 0;
+  ATOM: for $Atom (@{$This->{Atoms}}) {
+    if ($This->_IsHeteroAtom($Atom) && $Atom->IsInRingOfSize($RingSize)) {
+      if ($This->{KeyBits}) {
+	$KeyValue = 1;
+	last ATOM;
+      }
+      $KeyValue++;
+    }
+  }
+  return $KeyValue;
+}
+
+# Generate key 99 value as 1/0 indicating its presence/absence or count of its
+# presence in a molecule.
+#
+# Key 99 description: C=C
+#
+sub _Generate166KeySetKey99 {
+  my($This) = @_;
+  my($BondOrder) = 2;
+
+  return $This->_DetectBondKeys('C', 'C', $BondOrder);
+}
+
+# Generate key 100 value as 1/0 indicating its presence/absence or count of its
+# presence in a molecule.
+#
+# Key 100 description: ACH2N
+#
+sub _Generate166KeySetKey100 {
+  my($This) = @_;
+  my($CentralAtomSymbol, $CentralAtomMinHydrogenCount, $MinKeyCount, @NbrAtomSymbols, @NbrBondSymbols);
+
+  $CentralAtomSymbol = 'C';
+  $CentralAtomMinHydrogenCount = 2;
+
+  @NbrAtomSymbols = ('A', 'N');
+  @NbrBondSymbols = (undef, undef);
+
+  $MinKeyCount = undef;
+
+  return $This->_DetectAtomNeighborhoodKeys($CentralAtomSymbol, \@NbrAtomSymbols, \@NbrBondSymbols, $MinKeyCount, $CentralAtomMinHydrogenCount);
+}
+
+# Generate key 101 value as 1/0 indicating its presence/absence or count of its
+# presence in a molecule.
+#
+# Key 101 description: 8M RING
+#
+sub _Generate166KeySetKey101 {
+  my($This) = @_;
+  my($Molecule, $KeyValue, $RingSize, $NumOfRings);
+
+  $RingSize = 8;
+  $Molecule = $This->GetMolecule();
+  $NumOfRings = $Molecule->GetNumOfRingsWithSize($RingSize);
+
+  if ($This->{KeyBits}) {
+    $KeyValue = $NumOfRings ? 1 : 0;
+  }
+  else {
+    $KeyValue = $NumOfRings;
+  }
+  return $KeyValue;
+}
+
+# Generate key 102 value as 1/0 indicating its presence/absence or count of its
+# presence in a molecule.
+#
+# Key 102 description: QO
+#
+sub _Generate166KeySetKey102 {
+  my($This) = @_;
+
+  return $This->_DetectBondKeys('Q', 'O');
+}
+
+# Generate key 103 value as 1/0 indicating its presence/absence or count of its
+# presence in a molecule.
+#
+# Key 103 description: CL
+#
+sub _Generate166KeySetKey103 {
+  my($This) = @_;
+
+  return $This->_DetectAtomKeys('Cl');
+}
+
+# Generate key 104 value as 1/0 indicating its presence/absence or count of its
+# presence in a molecule.
+#
+# Key 104 description: QHACH2A
+#
+sub _Generate166KeySetKey104 {
+  my($This) = @_;
+  my(@CentralAtomsSymbols, @CentralAtomsBondSymbols, @CentralAtomsMinHydrogenCount);
+
+  @CentralAtomsSymbols = ('Q', 'A', 'C', 'A');
+  @CentralAtomsBondSymbols = (undef, undef, undef);
+  @CentralAtomsMinHydrogenCount = (1, undef, 2, undef);
+
+  return $This->_DetectExtendedAtomNeighborhoodKeys(\@CentralAtomsSymbols, \@CentralAtomsBondSymbols, \@CentralAtomsMinHydrogenCount);
+}
+
+# Generate key 105 value as 1/0 indicating its presence/absence or count of its
+# presence in a molecule.
+#
+# Key 105 description: A$A($A)$A
+#
+sub _Generate166KeySetKey105 {
+  my($This) = @_;
+  my($CentralAtomSymbol, @NbrAtomSymbols, @NbrBondSymbols);
+
+  $CentralAtomSymbol = 'A';
+  @NbrAtomSymbols = ('A', 'A', 'A');
+  @NbrBondSymbols = ('$', '$', '$');
+
+  return $This->_DetectAtomNeighborhoodKeys($CentralAtomSymbol, \@NbrAtomSymbols, \@NbrBondSymbols);
+}
+
+# Generate key 106 value as 1/0 indicating its presence/absence or count of its
+# presence in a molecule.
+#
+# Key 106 description: QA(Q)Q
+#
+sub _Generate166KeySetKey106 {
+  my($This) = @_;
+  my($CentralAtomSymbol, @NbrAtomSymbols, @NbrBondSymbols);
+
+  $CentralAtomSymbol = 'A';
+  @NbrAtomSymbols = ('Q', 'Q', 'Q');
+  @NbrBondSymbols = (undef, undef, undef);
+
+  return $This->_DetectAtomNeighborhoodKeys($CentralAtomSymbol, \@NbrAtomSymbols, \@NbrBondSymbols);
+}
+
+# Generate key 107 value as 1/0 indicating its presence/absence or count of its
+# presence in a molecule.
+#
+# Key 107 description: XA(A)A
+#
+sub _Generate166KeySetKey107 {
+  my($This) = @_;
+  my($CentralAtomSymbol, @NbrAtomSymbols, @NbrBondSymbols);
+
+  $CentralAtomSymbol = 'A';
+  @NbrAtomSymbols = ('X', 'A', 'A');
+  @NbrBondSymbols = (undef, undef, undef);
+
+  return $This->_DetectAtomNeighborhoodKeys($CentralAtomSymbol, \@NbrAtomSymbols, \@NbrBondSymbols);
+}
+
+# Generate key 108 value as 1/0 indicating its presence/absence or count of its
+# presence in a molecule.
+#
+# Key 108 description: CH3AAACH2A
+#
+sub _Generate166KeySetKey108 {
+  my($This) = @_;
+  my(@CentralAtomsSymbols, @CentralAtomsBondSymbols, @CentralAtomsMinHydrogenCount);
+
+  @CentralAtomsSymbols = ('C', 'A', 'A', 'A', 'C', 'A');
+  @CentralAtomsBondSymbols = (undef, undef, undef, undef, undef);
+  @CentralAtomsMinHydrogenCount = (3, undef, undef, undef, 1, undef);
+
+  return $This->_DetectExtendedAtomNeighborhoodKeys(\@CentralAtomsSymbols, \@CentralAtomsBondSymbols, \@CentralAtomsMinHydrogenCount);
+}
+
+# Generate key 109 value as 1/0 indicating its presence/absence or count of its
+# presence in a molecule.
+#
+# Key 109 description: ACH2O
+#
+sub _Generate166KeySetKey109 {
+  my($This) = @_;
+  my($CentralAtomSymbol, $CentralAtomMinHydrogenCount, $MinKeyCount, @NbrAtomSymbols, @NbrBondSymbols);
+
+  $CentralAtomSymbol = 'C';
+  $CentralAtomMinHydrogenCount = 2;
+
+  @NbrAtomSymbols = ('A', 'O');
+  @NbrBondSymbols = (undef, undef);
+
+  $MinKeyCount = undef;
+
+  return $This->_DetectAtomNeighborhoodKeys($CentralAtomSymbol, \@NbrAtomSymbols, \@NbrBondSymbols, $MinKeyCount, $CentralAtomMinHydrogenCount);
+}
+
+# Generate key 110 value as 1/0 indicating its presence/absence or count of its
+# presence in a molecule.
+#
+# Key 110 description: NCO
+#
+sub _Generate166KeySetKey110 {
+  my($This) = @_;
+  my($CentralAtomSymbol, @NbrAtomSymbols, @NbrBondSymbols);
+
+  $CentralAtomSymbol = 'C';
+  @NbrAtomSymbols = ('N', 'O');
+  @NbrBondSymbols = (undef, undef);
+
+  return $This->_DetectAtomNeighborhoodKeys($CentralAtomSymbol, \@NbrAtomSymbols, \@NbrBondSymbols);
+}
+
+# Generate key 111 value as 1/0 indicating its presence/absence or count of its
+# presence in a molecule.
+#
+# Key 111 description: NACH2A
+#
+sub _Generate166KeySetKey111 {
+  my($This) = @_;
+  my(@CentralAtomsSymbols, @CentralAtomsBondSymbols, @CentralAtomsMinHydrogenCount);
+
+  @CentralAtomsSymbols = ('N', 'A', 'C', 'A');
+  @CentralAtomsBondSymbols = (undef, undef, undef);
+  @CentralAtomsMinHydrogenCount = (undef, undef, 2, undef);
+
+  return $This->_DetectExtendedAtomNeighborhoodKeys(\@CentralAtomsSymbols, \@CentralAtomsBondSymbols, \@CentralAtomsMinHydrogenCount);
+}
+
+# Generate key 112 value as 1/0 indicating its presence/absence or count of its
+# presence in a molecule.
+#
+# Key 112 description: AA(A)(A)A
+#
+sub _Generate166KeySetKey112 {
+  my($This) = @_;
+  my($CentralAtomSymbol, @NbrAtomSymbols, @NbrBondSymbols);
+
+  $CentralAtomSymbol = 'A';
+  @NbrAtomSymbols = ('A', 'A', 'A', 'A');
+  @NbrBondSymbols = (undef, undef, undef, undef);
+
+  return $This->_DetectAtomNeighborhoodKeys($CentralAtomSymbol, \@NbrAtomSymbols, \@NbrBondSymbols);
+}
+
+# Generate key 113 value as 1/0 indicating its presence/absence or count of its
+# presence in a molecule.
+#
+# Key 113 description: Onot%A%A
+#
+sub _Generate166KeySetKey113 {
+  my($This) = @_;
+  my($CentralAtomSymbol, @NbrAtomSymbols, @NbrBondSymbols);
+
+  $CentralAtomSymbol = 'A';
+  @NbrAtomSymbols = ('O', 'A');
+  @NbrBondSymbols = ('not%', '%');
+
+  return $This->_DetectAtomNeighborhoodKeys($CentralAtomSymbol, \@NbrAtomSymbols, \@NbrBondSymbols);
+}
+
+# Generate key 114 value as 1/0 indicating its presence/absence or count of its
+# presence in a molecule.
+#
+# Key 114 description: CH3CH2A
+#
+sub _Generate166KeySetKey114 {
+  my($This) = @_;
+  my($CentralAtomSymbol, $CentralAtomMinHydrogenCount, $MinKeyCount, @NbrAtomSymbols, @NbrBondSymbols, @NbrAtomMinHydrogenCount);
+
+  $CentralAtomSymbol = 'C';
+  $CentralAtomMinHydrogenCount = 2;
+
+  @NbrAtomSymbols = ('C', 'A');
+  @NbrBondSymbols = (undef, undef);
+  @NbrAtomMinHydrogenCount = (3, undef);
+
+  $MinKeyCount = undef;
+
+  return $This->_DetectAtomNeighborhoodKeys($CentralAtomSymbol, \@NbrAtomSymbols, \@NbrBondSymbols, $MinKeyCount, $CentralAtomMinHydrogenCount, \@NbrAtomMinHydrogenCount);
+}
+
+# Generate key 115 value as 1/0 indicating its presence/absence or count of its
+# presence in a molecule.
+#
+# Key 115 description: CH3ACH2A
+#
+sub _Generate166KeySetKey115 {
+  my($This) = @_;
+  my(@CentralAtomsSymbols, @CentralAtomsBondSymbols, @CentralAtomsMinHydrogenCount);
+
+  @CentralAtomsSymbols = ('C', 'A', 'C', 'A');
+  @CentralAtomsBondSymbols = (undef, undef, undef);
+  @CentralAtomsMinHydrogenCount = (3, undef, 2, undef);
+
+  return $This->_DetectExtendedAtomNeighborhoodKeys(\@CentralAtomsSymbols, \@CentralAtomsBondSymbols, \@CentralAtomsMinHydrogenCount);
+}
+
+# Generate key 116 value as 1/0 indicating its presence/absence or count of its
+# presence in a molecule.
+#
+# Key 116 description: CH3AACH2A
+#
+sub _Generate166KeySetKey116 {
+  my($This) = @_;
+  my(@CentralAtomsSymbols, @CentralAtomsBondSymbols, @CentralAtomsMinHydrogenCount);
+
+  @CentralAtomsSymbols = ('C', 'A', 'A', 'C', 'A');
+  @CentralAtomsBondSymbols = (undef, undef, undef, undef);
+  @CentralAtomsMinHydrogenCount = (3, undef, undef, 2, undef);
+
+  return $This->_DetectExtendedAtomNeighborhoodKeys(\@CentralAtomsSymbols, \@CentralAtomsBondSymbols, \@CentralAtomsMinHydrogenCount);
+}
+
+# Generate key 117 value as 1/0 indicating its presence/absence or count of its
+# presence in a molecule.
+#
+# Key 117 description: NAO
+#
+sub _Generate166KeySetKey117 {
+  my($This) = @_;
+  my($CentralAtomSymbol, @NbrAtomSymbols, @NbrBondSymbols);
+
+  $CentralAtomSymbol = 'A';
+  @NbrAtomSymbols = ('N', 'O');
+  @NbrBondSymbols = (undef, undef);
+
+  return $This->_DetectAtomNeighborhoodKeys($CentralAtomSymbol, \@NbrAtomSymbols, \@NbrBondSymbols);
+}
+
+# Generate key 118 value as 1/0 indicating its presence/absence or count of its
+# presence in a molecule.
+#
+# Key 118 description: ACH2CH2A > 1
+#
+sub _Generate166KeySetKey118 {
+  my($This) = @_;
+  my($MinKeyCount, @CentralAtomsSymbols, @CentralAtomsBondSymbols, @CentralAtomsMinHydrogenCount);
+
+  $MinKeyCount = 2;
+  @CentralAtomsSymbols = ('A', 'C', 'C', 'A');
+  @CentralAtomsBondSymbols = (undef, undef, undef);
+  @CentralAtomsMinHydrogenCount = (undef, 2, 2, undef);
+
+  return $This->_DetectExtendedAtomNeighborhoodKeys(\@CentralAtomsSymbols, \@CentralAtomsBondSymbols, \@CentralAtomsMinHydrogenCount, $MinKeyCount);
+}
+
+# Generate key 119 value as 1/0 indicating its presence/absence or count of its
+# presence in a molecule.
+#
+# Key 119 description: N=A
+#
+sub _Generate166KeySetKey119 {
+  my($This) = @_;
+  my($BondOrder) = 2;
+
+  return $This->_DetectBondKeys('N', 'A', $BondOrder);
+}
+
+# Generate key 120 value as 1/0 indicating its presence/absence or count of its
+# presence in a molecule.
+#
+# Key 120 description: HETEROCYCLIC ATOM > 1 (&...)
+#
+sub _Generate166KeySetKey120 {
+  my($This) = @_;
+  my($MinKeyCount, $IsInRing) = (2, 1);
+
+  return $This->_DetectAtomKeys('Q', $MinKeyCount, $IsInRing);
+}
+
+# Generate key 121 value as 1/0 indicating its presence/absence or count of its
+# presence in a molecule.
+#
+# Key 121 description: N HETEROCYCLE
+#
+sub _Generate166KeySetKey121 {
+  my($This) = @_;
+  my($MinKeyCount, $IsInRing) = (undef, 1);
+
+  return $This->_DetectAtomKeys('N', $MinKeyCount, $IsInRing);
+}
+
+# Generate key 122 value as 1/0 indicating its presence/absence or count of its
+# presence in a molecule.
+#
+# Key 122 description: AN(A)A
+#
+sub _Generate166KeySetKey122 {
+  my($This) = @_;
+  my($CentralAtomSymbol, @NbrAtomSymbols, @NbrBondSymbols);
+
+  $CentralAtomSymbol = 'N';
+  @NbrAtomSymbols = ('A', 'A', 'A');
+  @NbrBondSymbols = (undef, undef, undef);
+
+  return $This->_DetectAtomNeighborhoodKeys($CentralAtomSymbol, \@NbrAtomSymbols, \@NbrBondSymbols);
+}
+
+# Generate key 123 value as 1/0 indicating its presence/absence or count of its
+# presence in a molecule.
+#
+# Key 123 description: OCO
+#
+sub _Generate166KeySetKey123 {
+  my($This) = @_;
+  my($CentralAtomSymbol, @NbrAtomSymbols, @NbrBondSymbols);
+
+  $CentralAtomSymbol = 'C';
+  @NbrAtomSymbols = ('O', 'O');
+  @NbrBondSymbols = (undef, undef);
+
+  return $This->_DetectAtomNeighborhoodKeys($CentralAtomSymbol, \@NbrAtomSymbols, \@NbrBondSymbols);
+}
+
+# Generate key 124 value as 1/0 indicating its presence/absence or count of its
+# presence in a molecule.
+#
+# Key 124 description: QQ
+#
+sub _Generate166KeySetKey124 {
+  my($This) = @_;
+
+  return $This->_DetectBondKeys('Q', 'Q');
+}
+
+# Generate key 125 value as 1/0 indicating its presence/absence or count of its
+# presence in a molecule.
+#
+# Key 125 description: AROMATIC RING > 1
+#
+sub _Generate166KeySetKey125 {
+  my($This) = @_;
+  my($Molecule, $NumOfAromaticRings, $KeyValue);
+
+  $Molecule = $This->GetMolecule();
+  $NumOfAromaticRings = $Molecule->GetNumOfAromaticRings();
+
+  if ($This->{KeyBits}) {
+    $KeyValue = ($NumOfAromaticRings > 1) ? 1 : 0;
+  }
+  else {
+    $KeyValue = $NumOfAromaticRings;
+  }
+  return $KeyValue;
+}
+
+# Generate key 126 value as 1/0 indicating its presence/absence or count of its
+# presence in a molecule.
+#
+# Key 126 description: A!O!A
+#
+sub _Generate166KeySetKey126 {
+  my($This) = @_;
+  my($CentralAtomSymbol, @NbrAtomSymbols, @NbrBondSymbols);
+
+  $CentralAtomSymbol = 'O';
+  @NbrAtomSymbols = ('A', 'A');
+  @NbrBondSymbols = ('!', '!');
+
+  return $This->_DetectAtomNeighborhoodKeys($CentralAtomSymbol, \@NbrAtomSymbols, \@NbrBondSymbols);
+}
+
+# Generate key 127 value as 1/0 indicating its presence/absence or count of its
+# presence in a molecule.
+#
+# Key 127 description: A$A!O > 1 (&...)
+#
+sub _Generate166KeySetKey127 {
+  my($This) = @_;
+  my($CentralAtomSymbol, $MinKeyCount, @NbrAtomSymbols, @NbrBondSymbols);
+
+  $CentralAtomSymbol = 'A';
+  @NbrAtomSymbols = ('A', 'O');
+  @NbrBondSymbols = ('$', '!');
+  $MinKeyCount = 2;
+
+  return $This->_DetectAtomNeighborhoodKeys($CentralAtomSymbol, \@NbrAtomSymbols, \@NbrBondSymbols, $MinKeyCount);
+}
+
+# Generate key 128 value as 1/0 indicating its presence/absence or count of its
+# presence in a molecule.
+#
+# Key 128 description: ACH2AAACH2A
+#
+sub _Generate166KeySetKey128 {
+  my($This) = @_;
+  my(@CentralAtomsSymbols, @CentralAtomsBondSymbols, @CentralAtomsMinHydrogenCount);
+
+  @CentralAtomsSymbols = ('A', 'C', 'A', 'A', 'A', 'C', 'A');
+  @CentralAtomsBondSymbols = (undef, undef, undef, undef, undef, undef);
+  @CentralAtomsMinHydrogenCount = (undef, 2, undef, undef, undef, 2, undef);
+
+  return $This->_DetectExtendedAtomNeighborhoodKeys(\@CentralAtomsSymbols, \@CentralAtomsBondSymbols, \@CentralAtomsMinHydrogenCount);
+}
+
+# Generate key 129 value as 1/0 indicating its presence/absence or count of its
+# presence in a molecule.
+#
+# Key 129 description: ACH2AACH2A
+#
+sub _Generate166KeySetKey129 {
+  my($This) = @_;
+  my(@CentralAtomsSymbols, @CentralAtomsBondSymbols, @CentralAtomsMinHydrogenCount);
+
+  @CentralAtomsSymbols = ('A', 'C', 'A', 'A', 'C', 'A');
+  @CentralAtomsBondSymbols = (undef, undef, undef, undef, undef);
+  @CentralAtomsMinHydrogenCount = (undef, 2, undef, undef, 2, undef);
+
+  return $This->_DetectExtendedAtomNeighborhoodKeys(\@CentralAtomsSymbols, \@CentralAtomsBondSymbols, \@CentralAtomsMinHydrogenCount);
+}
+
+# Generate key 130 value as 1/0 indicating its presence/absence or count of its
+# presence in a molecule.
+#
+# Key 130 description: QQ > 1 (&...)
+#
+sub _Generate166KeySetKey130 {
+  my($This) = @_;
+  my($BondOrder, $MinKeyCount) = (undef, 2);
+
+  return $This->_DetectBondKeys('Q', 'Q', $BondOrder, $MinKeyCount);
+}
+
+# Generate key 131 value as 1/0 indicating its presence/absence or count of its
+# presence in a molecule.
+#
+# Key 131 description: QH > 1
+#
+sub _Generate166KeySetKey131 {
+  my($This) = @_;
+  my($MinKeyCount, $IsInRing, $MinHydrogenCount) = (2, undef, 1);
+
+  return $This->_DetectAtomKeys('Q', $MinKeyCount, $IsInRing, $MinHydrogenCount);
+}
+
+# Generate key 132 value as 1/0 indicating its presence/absence or count of its
+# presence in a molecule.
+#
+# Key 132 description: OACH2A
+#
+sub _Generate166KeySetKey132 {
+  my($This) = @_;
+  my(@CentralAtomsSymbols, @CentralAtomsBondSymbols, @CentralAtomsMinHydrogenCount);
+
+  @CentralAtomsSymbols = ('O', 'A', 'C', 'A');
+  @CentralAtomsBondSymbols = (undef, undef, undef);
+  @CentralAtomsMinHydrogenCount = (undef, undef, 2, undef);
+
+  return $This->_DetectExtendedAtomNeighborhoodKeys(\@CentralAtomsSymbols, \@CentralAtomsBondSymbols, \@CentralAtomsMinHydrogenCount);
+}
+
+# Generate key 133 value as 1/0 indicating its presence/absence or count of its
+# presence in a molecule.
+#
+# Key 133 description: A$A!N
+#
+sub _Generate166KeySetKey133 {
+  my($This) = @_;
+  my($CentralAtomSymbol, @NbrAtomSymbols, @NbrBondSymbols);
+
+  $CentralAtomSymbol = 'A';
+  @NbrAtomSymbols = ('A', 'N');
+  @NbrBondSymbols = ('$', '!');
+
+  return $This->_DetectAtomNeighborhoodKeys($CentralAtomSymbol, \@NbrAtomSymbols, \@NbrBondSymbols);
+}
+
+# Generate key 134 value as 1/0 indicating its presence/absence or count of its
+# presence in a molecule.
+#
+# Key 134 description: X (HALOGEN)
+#
+sub _Generate166KeySetKey134 {
+  my($This) = @_;
+
+  return $This->_DetectAtomKeys('X');
+}
+
+# Generate key 135 value as 1/0 indicating its presence/absence or count of its
+# presence in a molecule.
+#
+# Key 135 description: Nnot%A%A
+#
+sub _Generate166KeySetKey135 {
+  my($This) = @_;
+  my($CentralAtomSymbol, @NbrAtomSymbols, @NbrBondSymbols);
+
+  $CentralAtomSymbol = 'A';
+  @NbrAtomSymbols = ('N', 'A');
+  @NbrBondSymbols = ('not%', '%');
+
+  return $This->_DetectAtomNeighborhoodKeys($CentralAtomSymbol, \@NbrAtomSymbols, \@NbrBondSymbols);
+}
+
+# Generate key 136 value as 1/0 indicating its presence/absence or count of its
+# presence in a molecule.
+#
+# Key 136 description: O=A > 1
+#
+sub _Generate166KeySetKey136 {
+  my($This) = @_;
+  my($BondOrder, $MinKeyCount) = (2, 2);
+
+  return $This->_DetectBondKeys('O', 'A', $BondOrder, $MinKeyCount);
+}
+
+# Generate key 137 value as 1/0 indicating its presence/absence or count of its
+# presence in a molecule.
+#
+# Key 137 description: HETEROCYCLE
+#
+sub _Generate166KeySetKey137 {
+  my($This) = @_;
+  my($MinKeyCount, $IsInRing) = (1, 1);
+
+  return $This->_DetectAtomKeys('Q', $MinKeyCount, $IsInRing);
+}
+
+# Generate key 138 value as 1/0 indicating its presence/absence or count of its
+# presence in a molecule.
+#
+# Key 138 description: QCH2A > 1 (&...)
+#
+sub _Generate166KeySetKey138 {
+  my($This) = @_;
+  my($CentralAtomSymbol, $CentralAtomMinHydrogenCount, $MinKeyCount, @NbrAtomSymbols, @NbrBondSymbols);
+
+  $CentralAtomSymbol = 'C';
+  @NbrAtomSymbols = ('Q', 'A');
+  @NbrBondSymbols = (undef, undef);
+  $MinKeyCount = 2;
+  $CentralAtomMinHydrogenCount = 2;
+
+  return $This->_DetectAtomNeighborhoodKeys($CentralAtomSymbol, \@NbrAtomSymbols, \@NbrBondSymbols, $MinKeyCount, $CentralAtomMinHydrogenCount);
+}
+
+# Generate key 139 value as 1/0 indicating its presence/absence or count of its
+# presence in a molecule.
+#
+# Key 139 description: OH
+#
+sub _Generate166KeySetKey139 {
+  my($This) = @_;
+  my($MinKeyCount, $IsInRing, $MinHydrogenCount) = (undef, undef, 1);
+
+  return $This->_DetectAtomKeys('O', $MinKeyCount, $IsInRing, $MinHydrogenCount);
+}
+
+# Generate key 140 value as 1/0 indicating its presence/absence or count of its
+# presence in a molecule.
+#
+# Key 140 description: O > 3 (&...)
+#
+sub _Generate166KeySetKey140 {
+  my($This) = @_;
+  my($MinKeyCount) = 4;
+
+  return $This->_DetectAtomKeys('O', $MinKeyCount);
+}
+
+# Generate key 141 value as 1/0 indicating its presence/absence or count of its
+# presence in a molecule.
+#
+# Key 141 description: CH3 > 2 (&...)
+#
+sub _Generate166KeySetKey141 {
+  my($This) = @_;
+  my($MinKeyCount, $IsInRing, $MinHydrogenCount) = (3, undef, 3);
+
+  return $This->_DetectAtomKeys('C', $MinKeyCount, $IsInRing, $MinHydrogenCount);
+}
+
+# Generate key 142 value as 1/0 indicating its presence/absence or count of its
+# presence in a molecule.
+#
+# Key 142 description: N > 1
+#
+sub _Generate166KeySetKey142 {
+  my($This) = @_;
+  my($MinKeyCount) = 2;
+
+  return $This->_DetectAtomKeys('N', $MinKeyCount);
+}
+
+# Generate key 143 value as 1/0 indicating its presence/absence or count of its
+# presence in a molecule.
+#
+# Key 143 description: A$A!O
+#
+sub _Generate166KeySetKey143 {
+  my($This) = @_;
+  my($CentralAtomSymbol, @NbrAtomSymbols, @NbrBondSymbols);
+
+  $CentralAtomSymbol = 'A';
+  @NbrAtomSymbols = ('A', 'O');
+  @NbrBondSymbols = ('$', '!');
+
+  return $This->_DetectAtomNeighborhoodKeys($CentralAtomSymbol, \@NbrAtomSymbols, \@NbrBondSymbols);
+}
+
+# Generate key 144 value as 1/0 indicating its presence/absence or count of its
+# presence in a molecule.
+#
+# Key 144 description: Anot%A%Anot%A
+#
+sub _Generate166KeySetKey144 {
+  my($This) = @_;
+  my($BondAtomSymbol1, $BondAtomSymbol2, $BondSymbol, @NbrAtomsSymbols, @NbrAtomsBondSymbols);
+
+  ($BondAtomSymbol1, $BondAtomSymbol2) = ('A', 'A');
+  $BondSymbol = '%';
+
+  @NbrAtomsSymbols = (['A'], ['A']);
+  @NbrAtomsBondSymbols = (['not%'], ['not%']);
+  return $This->_DetectBondNeighborhoodKeys($BondAtomSymbol1, $BondAtomSymbol2, $BondSymbol, \@NbrAtomsSymbols, \@NbrAtomsBondSymbols);
+}
+
+# Generate key 145 value as 1/0 indicating its presence/absence or count of its
+# presence in a molecule.
+#
+# Key 145 description: 6M RING > 1
+#
+sub _Generate166KeySetKey145 {
+  my($This) = @_;
+  my($Molecule, $KeyValue, $RingSize, $NumOfRings);
+
+  $RingSize = 6;
+  $Molecule = $This->GetMolecule();
+  $NumOfRings = $Molecule->GetNumOfRingsWithSize($RingSize);
+
+  if ($This->{KeyBits}) {
+    $KeyValue = ($NumOfRings > 1) ? 1 : 0;
+  }
+  else {
+    $KeyValue = $NumOfRings;
+  }
+  return $KeyValue;
+}
+
+# Generate key 146 value as 1/0 indicating its presence/absence or count of its
+# presence in a molecule.
+#
+# Key 146 description: O > 2
+#
+sub _Generate166KeySetKey146 {
+  my($This) = @_;
+  my($MinKeyCount) = 3;
+
+  return $This->_DetectAtomKeys('O', $MinKeyCount);
+}
+
+# Generate key 147 value as 1/0 indicating its presence/absence or count of its
+# presence in a molecule.
+#
+# Key 147 description: ACH2CH2A
+#
+sub _Generate166KeySetKey147 {
+  my($This) = @_;
+  my(@CentralAtomsSymbols, @CentralAtomsBondSymbols, @CentralAtomsMinHydrogenCount);
+
+  @CentralAtomsSymbols = ('A', 'C', 'C', 'A');
+  @CentralAtomsBondSymbols = (undef, undef, undef);
+  @CentralAtomsMinHydrogenCount = (undef, 2, 2, undef);
+
+  return $This->_DetectExtendedAtomNeighborhoodKeys(\@CentralAtomsSymbols, \@CentralAtomsBondSymbols, \@CentralAtomsMinHydrogenCount);
+}
+
+# Generate key 148 value as 1/0 indicating its presence/absence or count of its
+# presence in a molecule.
+#
+# Key 148 description: AQ(A)A
+#
+sub _Generate166KeySetKey148 {
+  my($This) = @_;
+  my($CentralAtomSymbol, @NbrAtomSymbols, @NbrBondSymbols);
+
+  $CentralAtomSymbol = 'Q';
+  @NbrAtomSymbols = ('A', 'A', 'A');
+  @NbrBondSymbols = (undef, undef, undef);
+
+  return $This->_DetectAtomNeighborhoodKeys($CentralAtomSymbol, \@NbrAtomSymbols, \@NbrBondSymbols);
+}
+
+# Generate key 149 value as 1/0 indicating its presence/absence or count of its
+# presence in a molecule.
+#
+# Key 149 description: CH3 > 1
+#
+sub _Generate166KeySetKey149 {
+  my($This) = @_;
+  my($MinKeyCount, $IsInRing, $MinHydrogenCount) = (2, undef, 3);
+
+  return $This->_DetectAtomKeys('C', $MinKeyCount, $IsInRing, $MinHydrogenCount);
+}
+
+# Generate key 150 value as 1/0 indicating its presence/absence or count of its
+# presence in a molecule.
+#
+# Key 150 description: A!A$A!A
+#
+sub _Generate166KeySetKey150 {
+  my($This) = @_;
+  my(@CentralAtomsSymbols, @CentralAtomsBondSymbols);
+
+  @CentralAtomsSymbols = ('A', 'A', 'A', 'A');
+  @CentralAtomsBondSymbols = ('!', '$', '!');
+
+  return $This->_DetectExtendedAtomNeighborhoodKeys(\@CentralAtomsSymbols, \@CentralAtomsBondSymbols);
+}
+
+# Generate key 151 value as 1/0 indicating its presence/absence or count of its
+# presence in a molecule.
+#
+# Key 151 description: NH
+#
+sub _Generate166KeySetKey151 {
+  my($This) = @_;
+  my($MinKeyCount, $IsInRing, $MinHydrogenCount) = (undef, undef, 1);
+
+  return $This->_DetectAtomKeys('N', $MinKeyCount, $IsInRing, $MinHydrogenCount);
+}
+
+# Generate key 152 value as 1/0 indicating its presence/absence or count of its
+# presence in a molecule.
+#
+# Key 152 description: OC(C)C
+#
+sub _Generate166KeySetKey152 {
+  my($This) = @_;
+  my($CentralAtomSymbol, @NbrAtomSymbols, @NbrBondSymbols);
+
+  $CentralAtomSymbol = 'C';
+  @NbrAtomSymbols = ('O', 'C', 'C');
+  @NbrBondSymbols = (undef, undef, undef);
+
+  return $This->_DetectAtomNeighborhoodKeys($CentralAtomSymbol, \@NbrAtomSymbols, \@NbrBondSymbols);
+}
+
+# Generate key 153 value as 1/0 indicating its presence/absence or count of its
+# presence in a molecule.
+#
+# Key 153 description: QCH2A
+#
+sub _Generate166KeySetKey153 {
+  my($This) = @_;
+  my($CentralAtomSymbol, $CentralAtomMinHydrogenCount, $MinKeyCount, @NbrAtomSymbols, @NbrBondSymbols);
+
+  $CentralAtomSymbol = 'C';
+  @NbrAtomSymbols = ('Q', 'A');
+  @NbrBondSymbols = (undef, undef);
+  $MinKeyCount = undef;
+  $CentralAtomMinHydrogenCount = 2;
+
+  return $This->_DetectAtomNeighborhoodKeys($CentralAtomSymbol, \@NbrAtomSymbols, \@NbrBondSymbols, $MinKeyCount, $CentralAtomMinHydrogenCount);
+}
+
+# Generate key 154 value as 1/0 indicating its presence/absence or count of its
+# presence in a molecule.
+#
+# Key 154 description: C=O
+#
+sub _Generate166KeySetKey154 {
+  my($This) = @_;
+  my($BondOrder) = 2;
+
+  return $This->_DetectBondKeys('C', 'O', $BondOrder);
+}
+
+# Generate key 155 value as 1/0 indicating its presence/absence or count of its
+# presence in a molecule.
+#
+# Key 155 description: A!CH2!A
+#
+sub _Generate166KeySetKey155 {
+  my($This) = @_;
+  my($CentralAtomSymbol, $CentralAtomMinHydrogenCount, $MinKeyCount, @NbrAtomSymbols, @NbrBondSymbols);
+
+  $CentralAtomSymbol = 'C';
+  @NbrAtomSymbols = ('A', 'A');
+  @NbrBondSymbols = ('!', '!');
+  $MinKeyCount = undef;
+  $CentralAtomMinHydrogenCount = 2;
+
+  return $This->_DetectAtomNeighborhoodKeys($CentralAtomSymbol, \@NbrAtomSymbols, \@NbrBondSymbols, $MinKeyCount, $CentralAtomMinHydrogenCount);
+}
+
+# Generate key 156 value as 1/0 indicating its presence/absence or count of its
+# presence in a molecule.
+#
+# Key 156 description: NA(A)A
+#
+sub _Generate166KeySetKey156 {
+  my($This) = @_;
+  my($MinKeyCount, @CentralAtomsSymbols, @CentralAtomsBondSymbols, @CentralAtomsMinHydrogenCount, @CentralAtomNbrsAtomSymbols, @CentralAtomNbrsBondSymbols);
+
+  @CentralAtomsSymbols = ('N', 'A', 'A');
+  @CentralAtomsBondSymbols = (undef, undef);
+  @CentralAtomsMinHydrogenCount = (undef, undef, undef);
+
+  @CentralAtomNbrsAtomSymbols = (undef, ['A'], undef);
+  @CentralAtomNbrsBondSymbols = (undef, undef, undef);
+  $MinKeyCount = undef;
+
+  return $This->_DetectExtendedAtomNeighborhoodKeys(\@CentralAtomsSymbols, \@CentralAtomsBondSymbols, \@CentralAtomsMinHydrogenCount, $MinKeyCount, \@CentralAtomNbrsAtomSymbols, \@CentralAtomNbrsBondSymbols);
+}
+
+# Generate key 157 value as 1/0 indicating its presence/absence or count of its
+# presence in a molecule.
+#
+# Key 157 description: C-O
+#
+sub _Generate166KeySetKey157 {
+  my($This) = @_;
+  my($BondOrder) = 1;
+
+  return $This->_DetectBondKeys('C', 'O', $BondOrder);
+}
+
+# Generate key 158 value as 1/0 indicating its presence/absence or count of its
+# presence in a molecule.
+#
+# Key 158 description: C-N
+#
+sub _Generate166KeySetKey158 {
+  my($This) = @_;
+  my($BondOrder) = 1;
+
+  return $This->_DetectBondKeys('C', 'N', $BondOrder);
+}
+
+# Generate key 159 value as 1/0 indicating its presence/absence or count of its
+# presence in a molecule.
+#
+# Key 159 description: O > 1
+#
+sub _Generate166KeySetKey159 {
+  my($This) = @_;
+  my($MinKeyCount) = 2;
+
+  return $This->_DetectAtomKeys('O', $MinKeyCount);
+}
+
+# Generate key 160 value as 1/0 indicating its presence/absence or count of its
+# presence in a molecule.
+#
+# Key 160 description: CH3
+#
+sub _Generate166KeySetKey160 {
+  my($This) = @_;
+  my($MinKeyCount, $IsInRing, $MinHydrogenCount) = (undef, undef, 3);
+
+  return $This->_DetectAtomKeys('C', $MinKeyCount, $IsInRing, $MinHydrogenCount);
+}
+
+# Generate key 161 value as 1/0 indicating its presence/absence or count of its
+# presence in a molecule.
+#
+# Key 161 description: N
+#
+sub _Generate166KeySetKey161 {
+  my($This) = @_;
+
+  return $This->_DetectAtomKeys('N');
+}
+
+# Generate key 162 value as 1/0 indicating its presence/absence or count of its
+# presence in a molecule.
+#
+# Key 162 description: AROMATIC
+#
+sub _Generate166KeySetKey162 {
+  my($This) = @_;
+  my($Atom, $Molecule, $KeyValue);
+
+  # Check molecule aromatic property...
+  $Molecule = $This->GetMolecule();
+  if ($Molecule->IsAromatic()) {
+    return 1;
+  }
+
+  # Check aromatic property of each atom...
+  $KeyValue = 1;
+  ATOM: for $Atom (@{$This->{Atoms}}) {
+      if (!$Atom->IsAromatic()) {
+	$KeyValue = 0;
+	last ATOM;
+      }
+  }
+  return $KeyValue;
+}
+
+# Generate key 163 value as 1/0 indicating its presence/absence or count of its
+# presence in a molecule.
+#
+# Key 163 description: 6M RING
+#
+sub _Generate166KeySetKey163 {
+  my($This) = @_;
+  my($Molecule, $KeyValue, $RingSize, $NumOfRings);
+
+  $RingSize = 6;
+  $Molecule = $This->GetMolecule();
+  $NumOfRings = $Molecule->GetNumOfRingsWithSize($RingSize);
+
+  if ($This->{KeyBits}) {
+    $KeyValue = $NumOfRings ? 1 : 0;
+  }
+  else {
+    $KeyValue = $NumOfRings;
+  }
+  return $KeyValue;
+}
+
+# Generate key 164 value as 1/0 indicating its presence/absence or count of its
+# presence in a molecule.
+#
+# Key 164 description: O
+#
+sub _Generate166KeySetKey164 {
+  my($This) = @_;
+
+  return $This->_DetectAtomKeys('O');
+}
+
+# Generate key 165 value as 1/0 indicating its presence/absence or count of its
+# presence in a molecule.
+#
+# Key 165 description: RING
+#
+sub _Generate166KeySetKey165 {
+  my($This) = @_;
+  my($Molecule, $KeyValue, $NumOfRings);
+
+  $Molecule = $This->GetMolecule();
+  $NumOfRings = $Molecule->GetNumOfRings();
+
+  if ($This->{KeyBits}) {
+    $KeyValue = $NumOfRings ? 1 : 0;
+  }
+  else {
+    $KeyValue = $NumOfRings;
+  }
+  return $KeyValue;
+}
+
+# Generate key 166 value as 1/0 indicating its presence/absence or count of its
+# presence in a molecule.
+#
+# Key 166 description: FRAGMENTS
+#
+sub _Generate166KeySetKey166 {
+  my($This) = @_;
+  my($Molecule, $KeyValue, $NumOfComponents);
+
+  $Molecule = $This->GetMolecule();
+  $NumOfComponents = $Molecule->GetNumOfConnectedComponents();
+
+  if ($This->{KeyBits}) {
+    $KeyValue = ($NumOfComponents > 1) ? 1 : 0;
+  }
+  else {
+    $KeyValue = $NumOfComponents;
+  }
+  return $KeyValue;
+}
+
+##################################
+#
+#  Implementation of MDL MACCS 322 keys...
+#
+##################################
+
+# Generate 322 keyset key 1 value as 1/0 indicating its presence/absence or
+# count of its presence in a molecule.
+#
+# Key 1 description: A(AAA) or AA(A)A - atom with at least three neighbors
+#
+sub _Generate322KeySetKey1 {
+  my($This) = @_;
+  my($CentralAtomSymbol, @NbrAtomSymbols, @NbrBondSymbols);
+
+  $CentralAtomSymbol = 'A';
+  @NbrAtomSymbols = ('A', 'A', 'A');
+  @NbrBondSymbols = (undef, undef, undef);
+
+  return $This->_DetectAtomNeighborhoodKeys($CentralAtomSymbol, \@NbrAtomSymbols, \@NbrBondSymbols);
+}
+
+# Generate 322 keyset key 2 value as 1/0 indicating its presence/absence or
+# count of its presence in a molecule.
+#
+# Key 2 description: Q - heteroatom
+#
+sub _Generate322KeySetKey2 {
+  my($This) = @_;
+
+  return $This->_DetectAtomKeys('Q');
+}
+
+# Generate 322 keyset key 3 value as 1/0 indicating its presence/absence or
+# count of its presence in a molecule.
+#
+# Key 3 description: Anot%not-A - atom involved in one or more multiple bonds, not aromatic
+#
+sub _Generate322KeySetKey3 {
+  my($This) = @_;
+  my($BondSymbol) = 'not%not-';
+
+  return $This->_DetectBondKeys('A', 'A', $BondSymbol);
+}
+
+# Generate 322 keyset key 4 value as 1/0 indicating its presence/absence or
+# count of its presence in a molecule.
+#
+# Key 4 description:      A(AAAA) or AA(A)(A)A - atom with at least four neighbors
+#
+sub _Generate322KeySetKey4 {
+  my($This) = @_;
+  my($CentralAtomSymbol, @NbrAtomSymbols, @NbrBondSymbols);
+
+  $CentralAtomSymbol = 'A';
+  @NbrAtomSymbols = ('A', 'A', 'A', 'A');
+  @NbrBondSymbols = (undef, undef, undef, undef);
+
+  return $This->_DetectAtomNeighborhoodKeys($CentralAtomSymbol, \@NbrAtomSymbols, \@NbrBondSymbols);
+}
+
+# Generate 322 keyset key 5 value as 1/0 indicating its presence/absence or
+# count of its presence in a molecule.
+#
+# Key 5 description: A(QQ) or QA(Q) - atom with at least two heteroatom neighbors
+#
+sub _Generate322KeySetKey5 {
+  my($This) = @_;
+  my($CentralAtomSymbol, @NbrAtomSymbols, @NbrBondSymbols);
+
+  $CentralAtomSymbol = 'A';
+  @NbrAtomSymbols = ('Q', 'Q');
+  @NbrBondSymbols = (undef, undef);
+
+  return $This->_DetectAtomNeighborhoodKeys($CentralAtomSymbol, \@NbrAtomSymbols, \@NbrBondSymbols);
+}
+
+# Generate 322 keyset key 6 value as 1/0 indicating its presence/absence or
+# count of its presence in a molecule.
+#
+# Key 6 description: A(QQQ) or QA(Q)Q - atom with at least three heteroatom neighbors
+#
+sub _Generate322KeySetKey6 {
+  my($This) = @_;
+  my($CentralAtomSymbol, @NbrAtomSymbols, @NbrBondSymbols);
+
+  $CentralAtomSymbol = 'A';
+  @NbrAtomSymbols = ('Q', 'Q', 'Q');
+  @NbrBondSymbols = (undef, undef, undef);
+
+  return $This->_DetectAtomNeighborhoodKeys($CentralAtomSymbol, \@NbrAtomSymbols, \@NbrBondSymbols);
+}
+
+# Generate 322 keyset key 7 value as 1/0 indicating its presence/absence or
+# count of its presence in a molecule.
+#
+# Key 7 description:      QH - heteroatom with at least one hydrogen attached
+#
+sub _Generate322KeySetKey7 {
+  my($This) = @_;
+  my($MinKeyCount, $IsInRing, $MinHydrogenCount) = (undef, undef, 1);
+
+  return $This->_DetectAtomKeys('Q', $MinKeyCount, $IsInRing, $MinHydrogenCount);
+}
+
+# Generate 322 keyset key 8 value as 1/0 indicating its presence/absence or
+# count of its presence in a molecule.
+#
+# Key 8 description: CH2(AA) or ACH2A - carbon with at least two single bonds and at least two hydrogens attached
+#
+sub _Generate322KeySetKey8 {
+  my($This) = @_;
+  my($CentralAtomSymbol, $CentralAtomMinHydrogenCount, $MinKeyCount, @NbrAtomSymbols, @NbrBondSymbols);
+
+  $CentralAtomSymbol = 'C';
+  @NbrAtomSymbols = ('A', 'A');
+  @NbrBondSymbols = (undef, undef);
+  $MinKeyCount = undef;
+  $CentralAtomMinHydrogenCount = 2;
+
+  return $This->_DetectAtomNeighborhoodKeys($CentralAtomSymbol, \@NbrAtomSymbols, \@NbrBondSymbols, $MinKeyCount, $CentralAtomMinHydrogenCount);
+}
+
+# Generate 322 keyset key 9 value as 1/0 indicating its presence/absence or
+# count of its presence in a molecule.
+#
+# Key 9 description: CH3(A) or ACH3 - carbon with at least one single bond and at least three hydrogens attached
+#
+sub _Generate322KeySetKey9 {
+  my($This) = @_;
+  my($CentralAtomSymbol, $CentralAtomMinHydrogenCount, $MinKeyCount, @NbrAtomSymbols, @NbrBondSymbols);
+
+  $CentralAtomSymbol = 'C';
+  @NbrAtomSymbols = ('A');
+  @NbrBondSymbols = (undef);
+  $MinKeyCount = undef;
+  $CentralAtomMinHydrogenCount = 3;
+
+  return $This->_DetectAtomNeighborhoodKeys($CentralAtomSymbol, \@NbrAtomSymbols, \@NbrBondSymbols, $MinKeyCount, $CentralAtomMinHydrogenCount);
+}
+
+# Generate 322 keyset key 10 value as 1/0 indicating its presence/absence or
+# count of its presence in a molecule.
+#
+# Key 10 description: Halogen
+#
+sub _Generate322KeySetKey10 {
+  my($This) = @_;
+
+  return $This->_DetectAtomKeys('X');
+}
+
+# Generate 322 keyset key 11 value as 1/0 indicating its presence/absence or
+# count of its presence in a molecule.
+#
+# Key 11 description: A(-A-A-A) or A-A(-A)-A - atom has at least three single bonds
+#
+sub _Generate322KeySetKey11 {
+  my($This) = @_;
+  my($CentralAtomSymbol, @NbrAtomSymbols, @NbrBondSymbols);
+
+  $CentralAtomSymbol = 'A';
+  @NbrAtomSymbols = ('A', 'A', 'A');
+  @NbrBondSymbols = ('-', '-', '-');
+
+  return $This->_DetectAtomNeighborhoodKeys($CentralAtomSymbol, \@NbrAtomSymbols, \@NbrBondSymbols);
+}
+
+# Generate 322 keyset key 12 value as 1/0 indicating its presence/absence or
+# count of its presence in a molecule.
+#
+# Key 12 description: AAAAAA@1 >= 2 - atom is in at least two different six-membered rings
+#
+sub _Generate322KeySetKey12 {
+  my($This) = @_;
+  my($Atom, $KeyValue, $RingSize, $NumOfRings);
+
+  $RingSize = 6;
+  $KeyValue = 0;
+
+  ATOM: for $Atom (@{$This->{Atoms}}) {
+    if (!$This->_IsAtom($Atom)) {
+      next ATOM;
+    }
+    $NumOfRings = $Atom->GetNumOfRingsWithSize($RingSize);
+    if ($NumOfRings >= 2) {
+      $KeyValue++;
+      if ($This->{KeyBits}) {
+	$KeyValue = 1;
+	last ATOM;
+      }
+    }
+  }
+  return $KeyValue;
+}
+
+# Generate 322 keyset key 13 value as 1/0 indicating its presence/absence or
+# count of its presence in a molecule.
+#
+# Key 13 description: A($A$A$A) or A$A($A)$A - atom has more than two ring bonds (at least three ring bonds)
+#
+sub _Generate322KeySetKey13 {
+  my($This) = @_;
+  my($CentralAtomSymbol, $MinKeyCount, @NbrAtomSymbols, @NbrBondSymbols);
+
+  $CentralAtomSymbol = 'A';
+  @NbrAtomSymbols = ('A', 'A', 'A');
+  @NbrBondSymbols = ('$', '$', '$');
+
+  return $This->_DetectAtomNeighborhoodKeys($CentralAtomSymbol, \@NbrAtomSymbols, \@NbrBondSymbols);
+}
+
+# Generate 322 keyset key 14 value as 1/0 indicating its presence/absence or
+# count of its presence in a molecule.
+#
+# Key 14 description: A$A!A$A - atom is at a ring/chain boundary. When a comparison is
+#                     done with another atom the path passes through the chain bond.
+#
+sub _Generate322KeySetKey14 {
+  my($This) = @_;
+  my($BondAtomSymbol1, $BondAtomSymbol2, $BondSymbol, @NbrAtomsSymbols, @NbrAtomsBondSymbols);
+
+  ($BondAtomSymbol1, $BondAtomSymbol2) = ('A', 'A');
+  $BondSymbol = '!';
+
+  @NbrAtomsSymbols = (['A'], ['A']);
+  @NbrAtomsBondSymbols = (['$'], ['$']);
+  return $This->_DetectBondNeighborhoodKeys($BondAtomSymbol1, $BondAtomSymbol2, $BondSymbol, \@NbrAtomsSymbols, \@NbrAtomsBondSymbols);
+}
+
+# Generate 322 keyset key 15 value as 1/0 indicating its presence/absence or
+# count of its presence in a molecule.
+#
+# Key 15 description:  Anot%A%Anot%A - atom is at an aromatic/nonaromatic boundary.
+#                      When a comparison is done with another atom the path passes through the aromatic bond.
+#
+sub _Generate322KeySetKey15 {
+  my($This) = @_;
+  my($BondAtomSymbol1, $BondAtomSymbol2, $BondSymbol, @NbrAtomsSymbols, @NbrAtomsBondSymbols);
+
+  ($BondAtomSymbol1, $BondAtomSymbol2) = ('A', 'A');
+  $BondSymbol = '%';
+
+  @NbrAtomsSymbols = (['A'], ['A']);
+  @NbrAtomsBondSymbols = (['not%'], ['not%']);
+  return $This->_DetectBondNeighborhoodKeys($BondAtomSymbol1, $BondAtomSymbol2, $BondSymbol, \@NbrAtomsSymbols, \@NbrAtomsBondSymbols);
+}
+
+# Generate 322 keyset key 16 value as 1/0 indicating its presence/absence or
+# count of its presence in a molecule.
+#
+# Key 16 description:     A!A!A  - atom with more than one chain bond
+#
+sub _Generate322KeySetKey16 {
+  my($This) = @_;
+  my($CentralAtomSymbol, @NbrAtomSymbols, @NbrBondSymbols);
+
+  $CentralAtomSymbol = 'A';
+  @NbrAtomSymbols = ('A', 'A');
+  @NbrBondSymbols = ('!', '!');
+
+  return $This->_DetectAtomNeighborhoodKeys($CentralAtomSymbol, \@NbrAtomSymbols, \@NbrBondSymbols);
+}
+
+# Generate 322 keyset key 17 value as 1/0 indicating its presence/absence or
+# count of its presence in a molecule.
+#
+# Key 17 description: A!A$A!A - atom is at a ring/chain boundary. When a comparison
+#                     is done  with another atom the path passes through the ring bond.
+#
+sub _Generate322KeySetKey17 {
+  my($This) = @_;
+  my($BondAtomSymbol1, $BondAtomSymbol2, $BondSymbol, @NbrAtomsSymbols, @NbrAtomsBondSymbols);
+
+  ($BondAtomSymbol1, $BondAtomSymbol2) = ('A', 'A');
+  $BondSymbol = '$';
+
+  @NbrAtomsSymbols = (['A'], ['A']);
+  @NbrAtomsBondSymbols = (['!'], ['!']);
+  return $This->_DetectBondNeighborhoodKeys($BondAtomSymbol1, $BondAtomSymbol2, $BondSymbol, \@NbrAtomsSymbols, \@NbrAtomsBondSymbols);
+}
+
+# Generate 322 keyset key 18 value as 1/0 indicating its presence/absence or
+# count of its presence in a molecule.
+#
+# Key 18 description: A%Anot%A%A - atom is at an aromatic/nonaromatic boundary.
+#                     When a comparison is done with another atom the path passes through
+#                     the nonaromatic bond
+#
+sub _Generate322KeySetKey18 {
+  my($This) = @_;
+  my($BondAtomSymbol1, $BondAtomSymbol2, $BondSymbol, @NbrAtomsSymbols, @NbrAtomsBondSymbols);
+
+  ($BondAtomSymbol1, $BondAtomSymbol2) = ('A', 'A');
+  $BondSymbol = 'not%';
+
+  @NbrAtomsSymbols = (['A'], ['A']);
+  @NbrAtomsBondSymbols = (['%'], ['%']);
+  return $This->_DetectBondNeighborhoodKeys($BondAtomSymbol1, $BondAtomSymbol2, $BondSymbol, \@NbrAtomsSymbols, \@NbrAtomsBondSymbols);
+}
+
+# Generate 322 keyset key 19 value as 1/0 indicating its presence/absence or
+# count of its presence in a molecule.
+#
+# Key 19 description: HETEROCYCLE - atom is a heteroatom in a ring.
+#
+sub _Generate322KeySetKey19 {
+  my($This) = @_;
+  my($MinKeyCount, $IsInRing) = (undef, 1);
+
+  return $This->_DetectAtomKeys('Q', $MinKeyCount, $IsInRing);
+}
+
+# Generate 322 keyset key 20 value as 1/0 indicating its presence/absence or
+# count of its presence in a molecule.
+#
+# Key 20 description: rare properties: atom with five or more neighbors, atom in four
+#                     or more rings, or atom types other than  H, C, N, O, S, F, Cl, Br, or I
+#
+sub _Generate322KeySetKey20 {
+  my($This) = @_;
+  my($Atom, $KeyValue);
+
+  $KeyValue = 0;
+  ATOM: for $Atom (@{$This->{Atoms}}) {
+    if (!($Atom->GetAtomicNumber() !~ /^(1|6|7|8|9|16|17|35|53)$/) || ($Atom->GetNumOfRings() >= 4) || ($Atom->GetNumOfNeighbors() >= 5) ) {
+      next ATOM;
+    }
+    $KeyValue++;
+    if ($This->{KeyBits}) {
+      $KeyValue = 1;
+      last ATOM;
+    }
+  }
+  return $KeyValue;
+}
+
+# Generate 322 keyset key 21 value as 1/0 indicating its presence/absence or
+# count of its presence in a molecule.
+#
+# Key 21 description: rare properties: atom has a charge, is an isotope, has
+#                     two or more multiple bonds, or has a triple bond.
+#
+sub _Generate322KeySetKey21 {
+  my($This) = @_;
+  my($Atom, $KeyValue);
+
+  $KeyValue = 0;
+  ATOM: for $Atom (@{$This->{Atoms}}) {
+    if ( !($Atom->IsIsotope() || $Atom->GetFormalCharge()) ) {
+      # Look for multiple and triple bonds...
+      my($Bond, $NumOfTripleBonds, $NumOfMultipleBonds);
+
+      ($NumOfTripleBonds, $NumOfMultipleBonds) = (0, 0);
+      BOND: for $Bond ($Atom->GetBonds()) {
+	if ($Bond->IsSingle()) { next BOND; }
+	if ($Bond->IsDouble()) { $NumOfMultipleBonds++; next BOND; }
+	if ($Bond->IsTriple()) { $NumOfTripleBonds++; next BOND; }
+      }
+      if ( !($NumOfTripleBonds || ($NumOfMultipleBonds >= 2)) ) {
+	next ATOM;
+      }
+    }
+    $KeyValue++;
+    if ($This->{KeyBits}) {
+      $KeyValue = 1;
+      last ATOM;
+    }
+  }
+  return $KeyValue;
+}
+
+# Generate 322 keyset key 22 value as 1/0 indicating its presence/absence or
+# count of its presence in a molecule.
+#
+# Key 22 description:  N - nitrogen
+#
+sub _Generate322KeySetKey22 {
+  my($This) = @_;
+
+  return $This->_DetectAtomKeys('N');
+}
+
+# Generate 322 keyset key 23 value as 1/0 indicating its presence/absence or
+# count of its presence in a molecule.
+#
+# Key 23 description: S - sulfur
+#
+sub _Generate322KeySetKey23 {
+  my($This) = @_;
+
+  return $This->_DetectAtomKeys('S');
+}
+
+# Generate 322 keyset key 24 value as 1/0 indicating its presence/absence or
+# count of its presence in a molecule.
+#
+# Key 24 description: O - oxygen
+#
+sub _Generate322KeySetKey24 {
+  my($This) = @_;
+
+  return $This->_DetectAtomKeys('O');
+}
+
+# Generate 322 keyset key 25 value as 1/0 indicating its presence/absence or
+# count of its presence in a molecule.
+#
+# Key 25 description: A(AA)A(A)A(AA) - atom has two neighbors, each with
+#                     three or more neighbors (including the central atom).
+#
+sub _Generate322KeySetKey25 {
+  my($This) = @_;
+  my($MinKeyCount, @CentralAtomsSymbols, @NbrAtomsSymbols);
+
+  @CentralAtomsSymbols = ('A', 'A', 'A');
+  @NbrAtomsSymbols = (['A', 'A'], ['A'], ['A', 'A']);
+
+  return $This->_DetectExtendedAtomNeighborhoodKeys(\@CentralAtomsSymbols, undef, undef, undef, \@NbrAtomsSymbols);
+}
+
+# Generate 322 keyset key 26 value as 1/0 indicating its presence/absence or
+# count of its presence in a molecule.
+#
+# Key 26 description:     CH2ACH2 - atom has two hydrocarbon (CH2) neighbors
+#
+sub _Generate322KeySetKey26 {
+  my($This) = @_;
+  my($CentralAtomSymbol, $CentralAtomMinHydrogenCount, $MinKeyCount, @NbrAtomSymbols, @NbrBondSymbols, @NbrAtomMinHydrogenCount);
+
+  $CentralAtomSymbol = 'A';
+  $CentralAtomMinHydrogenCount = undef;
+
+  @NbrAtomSymbols = ('C', 'C');
+  @NbrBondSymbols = (undef, undef);
+  @NbrAtomMinHydrogenCount = (2, 2);
+
+  $MinKeyCount = undef;
+
+  return $This->_DetectAtomNeighborhoodKeys($CentralAtomSymbol, \@NbrAtomSymbols, \@NbrBondSymbols, $MinKeyCount, $CentralAtomMinHydrogenCount, \@NbrAtomMinHydrogenCount);
+}
+
+# Generate 322 keyset key 27 value as 1/0 indicating its presence/absence or
+# count of its presence in a molecule.
+#
+# Key 27 description: C(CC)
+#
+sub _Generate322KeySetKey27 {
+  my($This) = @_;
+  my($CentralAtomSymbol, @NbrAtomSymbols, @NbrBondSymbols);
+
+  $CentralAtomSymbol = 'C';
+  @NbrAtomSymbols = ('C', 'C');
+  @NbrBondSymbols = (undef, undef);
+
+  return $This->_DetectAtomNeighborhoodKeys($CentralAtomSymbol, \@NbrAtomSymbols, \@NbrBondSymbols);
+}
+
+# Generate 322 keyset key 28 value as 1/0 indicating its presence/absence or
+# count of its presence in a molecule.
+#
+# Key 28 description: C(CCC)
+#
+sub _Generate322KeySetKey28 {
+  my($This) = @_;
+  my($CentralAtomSymbol, @NbrAtomSymbols, @NbrBondSymbols);
+
+  $CentralAtomSymbol = 'C';
+  @NbrAtomSymbols = ('C', 'C', 'C');
+  @NbrBondSymbols = (undef, undef, undef);
+
+  return $This->_DetectAtomNeighborhoodKeys($CentralAtomSymbol, \@NbrAtomSymbols, \@NbrBondSymbols);
+}
+
+# Generate 322 keyset key 29 value as 1/0 indicating its presence/absence or
+# count of its presence in a molecule.
+#
+# Key 29 description: C(CN)
+#
+sub _Generate322KeySetKey29 {
+  my($This) = @_;
+  my($CentralAtomSymbol, @NbrAtomSymbols, @NbrBondSymbols);
+
+  $CentralAtomSymbol = 'C';
+  @NbrAtomSymbols = ('C', 'N');
+  @NbrBondSymbols = (undef, undef);
+
+  return $This->_DetectAtomNeighborhoodKeys($CentralAtomSymbol, \@NbrAtomSymbols, \@NbrBondSymbols);
+}
+
+# Generate 322 keyset key 30 value as 1/0 indicating its presence/absence or
+# count of its presence in a molecule.
+#
+# Key 30 description: C(CCN)
+#
+sub _Generate322KeySetKey30 {
+  my($This) = @_;
+  my($CentralAtomSymbol, @NbrAtomSymbols, @NbrBondSymbols);
+
+  $CentralAtomSymbol = 'C';
+  @NbrAtomSymbols = ('C', 'C', 'N');
+  @NbrBondSymbols = (undef, undef, undef);
+
+  return $This->_DetectAtomNeighborhoodKeys($CentralAtomSymbol, \@NbrAtomSymbols, \@NbrBondSymbols);
+}
+
+# Generate 322 keyset key 31 value as 1/0 indicating its presence/absence or
+# count of its presence in a molecule.
+#
+# Key 31 description: C(NN)
+#
+sub _Generate322KeySetKey31 {
+  my($This) = @_;
+  my($CentralAtomSymbol, @NbrAtomSymbols, @NbrBondSymbols);
+
+  $CentralAtomSymbol = 'C';
+  @NbrAtomSymbols = ('N', 'N');
+  @NbrBondSymbols = (undef, undef);
+
+  return $This->_DetectAtomNeighborhoodKeys($CentralAtomSymbol, \@NbrAtomSymbols, \@NbrBondSymbols);
+}
+
+# Generate 322 keyset key 32 value as 1/0 indicating its presence/absence or
+# count of its presence in a molecule.
+#
+# Key 32 description: C(NNC)
+#
+sub _Generate322KeySetKey32 {
+  my($This) = @_;
+  my($CentralAtomSymbol, @NbrAtomSymbols, @NbrBondSymbols);
+
+  $CentralAtomSymbol = 'C';
+  @NbrAtomSymbols = ('N', 'N', 'C');
+  @NbrBondSymbols = (undef, undef, undef);
+
+  return $This->_DetectAtomNeighborhoodKeys($CentralAtomSymbol, \@NbrAtomSymbols, \@NbrBondSymbols);
+}
+
+# Generate 322 keyset key 33 value as 1/0 indicating its presence/absence or
+# count of its presence in a molecule.
+#
+# Key 33 description: C(NNN)
+#
+sub _Generate322KeySetKey33 {
+  my($This) = @_;
+  my($CentralAtomSymbol, @NbrAtomSymbols, @NbrBondSymbols);
+
+  $CentralAtomSymbol = 'C';
+  @NbrAtomSymbols = ('N', 'N', 'N');
+  @NbrBondSymbols = (undef, undef, undef);
+
+  return $This->_DetectAtomNeighborhoodKeys($CentralAtomSymbol, \@NbrAtomSymbols, \@NbrBondSymbols);
+}
+
+# Generate 322 keyset key 34 value as 1/0 indicating its presence/absence or
+# count of its presence in a molecule.
+#
+# Key 34 description: C(CO)
+#
+sub _Generate322KeySetKey34 {
+  my($This) = @_;
+  my($CentralAtomSymbol, @NbrAtomSymbols, @NbrBondSymbols);
+
+  $CentralAtomSymbol = 'C';
+  @NbrAtomSymbols = ('C', 'O');
+  @NbrBondSymbols = (undef, undef);
+
+  return $This->_DetectAtomNeighborhoodKeys($CentralAtomSymbol, \@NbrAtomSymbols, \@NbrBondSymbols);
+}
+
+# Generate 322 keyset key 35 value as 1/0 indicating its presence/absence or
+# count of its presence in a molecule.
+#
+# Key 35 description: C(CCO)
+#
+sub _Generate322KeySetKey35 {
+  my($This) = @_;
+  my($CentralAtomSymbol, @NbrAtomSymbols, @NbrBondSymbols);
+
+  $CentralAtomSymbol = 'C';
+  @NbrAtomSymbols = ('C', 'C', 'O');
+  @NbrBondSymbols = (undef, undef, undef);
+
+  return $This->_DetectAtomNeighborhoodKeys($CentralAtomSymbol, \@NbrAtomSymbols, \@NbrBondSymbols);
+}
+
+# Generate 322 keyset key 36 value as 1/0 indicating its presence/absence or
+# count of its presence in a molecule.
+#
+# Key 36 description: C(NO)
+#
+sub _Generate322KeySetKey36 {
+  my($This) = @_;
+  my($CentralAtomSymbol, @NbrAtomSymbols, @NbrBondSymbols);
+
+  $CentralAtomSymbol = 'C';
+  @NbrAtomSymbols = ('N', 'O');
+  @NbrBondSymbols = (undef, undef);
+
+  return $This->_DetectAtomNeighborhoodKeys($CentralAtomSymbol, \@NbrAtomSymbols, \@NbrBondSymbols);
+}
+
+# Generate 322 keyset key 37 value as 1/0 indicating its presence/absence or
+# count of its presence in a molecule.
+#
+# Key 37 description: C(NCO)
+#
+sub _Generate322KeySetKey37 {
+  my($This) = @_;
+  my($CentralAtomSymbol, @NbrAtomSymbols, @NbrBondSymbols);
+
+  $CentralAtomSymbol = 'C';
+  @NbrAtomSymbols = ('N', 'C', 'O');
+  @NbrBondSymbols = (undef, undef, undef);
+
+  return $This->_DetectAtomNeighborhoodKeys($CentralAtomSymbol, \@NbrAtomSymbols, \@NbrBondSymbols);
+}
+
+# Generate 322 keyset key 38 value as 1/0 indicating its presence/absence or
+# count of its presence in a molecule.
+#
+# Key 38 description: C(NNO)
+#
+sub _Generate322KeySetKey38 {
+  my($This) = @_;
+  my($CentralAtomSymbol, @NbrAtomSymbols, @NbrBondSymbols);
+
+  $CentralAtomSymbol = 'C';
+  @NbrAtomSymbols = ('N', 'N', 'O');
+  @NbrBondSymbols = (undef, undef, undef);
+
+  return $This->_DetectAtomNeighborhoodKeys($CentralAtomSymbol, \@NbrAtomSymbols, \@NbrBondSymbols);
+}
+
+# Generate 322 keyset key 39 value as 1/0 indicating its presence/absence or
+# count of its presence in a molecule.
+#
+# Key 39 description: C(OO)
+#
+sub _Generate322KeySetKey39 {
+  my($This) = @_;
+  my($CentralAtomSymbol, @NbrAtomSymbols, @NbrBondSymbols);
+
+  $CentralAtomSymbol = 'C';
+  @NbrAtomSymbols = ('O', 'O');
+  @NbrBondSymbols = (undef, undef);
+
+  return $This->_DetectAtomNeighborhoodKeys($CentralAtomSymbol, \@NbrAtomSymbols, \@NbrBondSymbols);
+}
+
+# Generate 322 keyset key 40 value as 1/0 indicating its presence/absence or
+# count of its presence in a molecule.
+#
+# Key 40 description: C(COO)
+#
+sub _Generate322KeySetKey40 {
+  my($This) = @_;
+  my($CentralAtomSymbol, @NbrAtomSymbols, @NbrBondSymbols);
+
+  $CentralAtomSymbol = 'C';
+  @NbrAtomSymbols = ('C', 'O', 'O');
+  @NbrBondSymbols = (undef, undef, undef);
+
+  return $This->_DetectAtomNeighborhoodKeys($CentralAtomSymbol, \@NbrAtomSymbols, \@NbrBondSymbols);
+}
+
+# Generate 322 keyset key 41 value as 1/0 indicating its presence/absence or
+# count of its presence in a molecule.
+#
+# Key 41 description: C(NOO)
+#
+sub _Generate322KeySetKey41 {
+  my($This) = @_;
+  my($CentralAtomSymbol, @NbrAtomSymbols, @NbrBondSymbols);
+
+  $CentralAtomSymbol = 'C';
+  @NbrAtomSymbols = ('N', 'O', 'O');
+  @NbrBondSymbols = (undef, undef, undef);
+
+  return $This->_DetectAtomNeighborhoodKeys($CentralAtomSymbol, \@NbrAtomSymbols, \@NbrBondSymbols);
+}
+
+# Generate 322 keyset key 42 value as 1/0 indicating its presence/absence or
+# count of its presence in a molecule.
+#
+# Key 42 description: C(OOO)
+#
+sub _Generate322KeySetKey42 {
+  my($This) = @_;
+  my($CentralAtomSymbol, @NbrAtomSymbols, @NbrBondSymbols);
+
+  $CentralAtomSymbol = 'C';
+  @NbrAtomSymbols = ('O', 'O', 'O');
+  @NbrBondSymbols = (undef, undef, undef);
+
+  return $This->_DetectAtomNeighborhoodKeys($CentralAtomSymbol, \@NbrAtomSymbols, \@NbrBondSymbols);
+}
+
+# Generate 322 keyset key 43 value as 1/0 indicating its presence/absence or
+# count of its presence in a molecule.
+#
+# Key 43 description: Q(CC)
+#
+sub _Generate322KeySetKey43 {
+  my($This) = @_;
+  my($CentralAtomSymbol, @NbrAtomSymbols, @NbrBondSymbols);
+
+  $CentralAtomSymbol = 'Q';
+  @NbrAtomSymbols = ('C', 'C');
+  @NbrBondSymbols = (undef, undef);
+
+  return $This->_DetectAtomNeighborhoodKeys($CentralAtomSymbol, \@NbrAtomSymbols, \@NbrBondSymbols);
+}
+
+# Generate 322 keyset key 44 value as 1/0 indicating its presence/absence or
+# count of its presence in a molecule.
+#
+# Key 44 description: Q(CCC)
+#
+sub _Generate322KeySetKey44 {
+  my($This) = @_;
+  my($CentralAtomSymbol, @NbrAtomSymbols, @NbrBondSymbols);
+
+  $CentralAtomSymbol = 'Q';
+  @NbrAtomSymbols = ('C', 'C', 'C');
+  @NbrBondSymbols = (undef, undef, undef);
+
+  return $This->_DetectAtomNeighborhoodKeys($CentralAtomSymbol, \@NbrAtomSymbols, \@NbrBondSymbols);
+}
+
+# Generate 322 keyset key 45 value as 1/0 indicating its presence/absence or
+# count of its presence in a molecule.
+#
+# Key 45 description: Q(CN)
+#
+sub _Generate322KeySetKey45 {
+  my($This) = @_;
+  my($CentralAtomSymbol, @NbrAtomSymbols, @NbrBondSymbols);
+
+  $CentralAtomSymbol = 'Q';
+  @NbrAtomSymbols = ('C', 'N');
+  @NbrBondSymbols = (undef, undef);
+
+  return $This->_DetectAtomNeighborhoodKeys($CentralAtomSymbol, \@NbrAtomSymbols, \@NbrBondSymbols);
+}
+
+# Generate 322 keyset key 46 value as 1/0 indicating its presence/absence or
+# count of its presence in a molecule.
+#
+# Key 46 description: Q(CCN)
+#
+sub _Generate322KeySetKey46 {
+  my($This) = @_;
+  my($CentralAtomSymbol, @NbrAtomSymbols, @NbrBondSymbols);
+
+  $CentralAtomSymbol = 'Q';
+  @NbrAtomSymbols = ('C', 'C', 'N');
+  @NbrBondSymbols = (undef, undef, undef);
+
+  return $This->_DetectAtomNeighborhoodKeys($CentralAtomSymbol, \@NbrAtomSymbols, \@NbrBondSymbols);
+}
+
+# Generate 322 keyset key 47 value as 1/0 indicating its presence/absence or
+# count of its presence in a molecule.
+#
+# Key 47 description: Q(NN)
+#
+sub _Generate322KeySetKey47 {
+  my($This) = @_;
+  my($CentralAtomSymbol, @NbrAtomSymbols, @NbrBondSymbols);
+
+  $CentralAtomSymbol = 'Q';
+  @NbrAtomSymbols = ('N', 'N');
+  @NbrBondSymbols = (undef, undef);
+
+  return $This->_DetectAtomNeighborhoodKeys($CentralAtomSymbol, \@NbrAtomSymbols, \@NbrBondSymbols);
+}
+
+# Generate 322 keyset key 48 value as 1/0 indicating its presence/absence or
+# count of its presence in a molecule.
+#
+# Key 48 description: Q(CNN)
+#
+sub _Generate322KeySetKey48 {
+  my($This) = @_;
+  my($CentralAtomSymbol, @NbrAtomSymbols, @NbrBondSymbols);
+
+  $CentralAtomSymbol = 'Q';
+  @NbrAtomSymbols = ('C', 'N', 'N');
+  @NbrBondSymbols = (undef, undef, undef);
+
+  return $This->_DetectAtomNeighborhoodKeys($CentralAtomSymbol, \@NbrAtomSymbols, \@NbrBondSymbols);
+}
+
+# Generate 322 keyset key 49 value as 1/0 indicating its presence/absence or
+# count of its presence in a molecule.
+#
+# Key 49 description: Q(NNN)
+#
+sub _Generate322KeySetKey49 {
+  my($This) = @_;
+  my($CentralAtomSymbol, @NbrAtomSymbols, @NbrBondSymbols);
+
+  $CentralAtomSymbol = 'Q';
+  @NbrAtomSymbols = ('N', 'N', 'N');
+  @NbrBondSymbols = (undef, undef, undef);
+
+  return $This->_DetectAtomNeighborhoodKeys($CentralAtomSymbol, \@NbrAtomSymbols, \@NbrBondSymbols);
+}
+
+# Generate 322 keyset key 50 value as 1/0 indicating its presence/absence or
+# count of its presence in a molecule.
+#
+# Key 50 description: Q(CO)
+#
+sub _Generate322KeySetKey50 {
+  my($This) = @_;
+  my($CentralAtomSymbol, @NbrAtomSymbols, @NbrBondSymbols);
+
+  $CentralAtomSymbol = 'Q';
+  @NbrAtomSymbols = ('C', 'O');
+  @NbrBondSymbols = (undef, undef);
+
+  return $This->_DetectAtomNeighborhoodKeys($CentralAtomSymbol, \@NbrAtomSymbols, \@NbrBondSymbols);
+}
+
+# Generate 322 keyset key 51 value as 1/0 indicating its presence/absence or
+# count of its presence in a molecule.
+#
+# Key 51 description: Q(CCO)
+#
+sub _Generate322KeySetKey51 {
+  my($This) = @_;
+  my($CentralAtomSymbol, @NbrAtomSymbols, @NbrBondSymbols);
+
+  $CentralAtomSymbol = 'Q';
+  @NbrAtomSymbols = ('C', 'C', 'O');
+  @NbrBondSymbols = (undef, undef, undef);
+
+  return $This->_DetectAtomNeighborhoodKeys($CentralAtomSymbol, \@NbrAtomSymbols, \@NbrBondSymbols);
+}
+
+# Generate 322 keyset key 52 value as 1/0 indicating its presence/absence or
+# count of its presence in a molecule.
+#
+# Key 52 description: Q(NO)
+#
+sub _Generate322KeySetKey52 {
+  my($This) = @_;
+  my($CentralAtomSymbol, @NbrAtomSymbols, @NbrBondSymbols);
+
+  $CentralAtomSymbol = 'Q';
+  @NbrAtomSymbols = ('N', 'O');
+  @NbrBondSymbols = (undef, undef);
+
+  return $This->_DetectAtomNeighborhoodKeys($CentralAtomSymbol, \@NbrAtomSymbols, \@NbrBondSymbols);
+}
+
+# Generate 322 keyset key 53 value as 1/0 indicating its presence/absence or
+# count of its presence in a molecule.
+#
+# Key 53 description: Q(CNO)
+#
+sub _Generate322KeySetKey53 {
+  my($This) = @_;
+  my($CentralAtomSymbol, @NbrAtomSymbols, @NbrBondSymbols);
+
+  $CentralAtomSymbol = 'Q';
+  @NbrAtomSymbols = ('C', 'N', 'O');
+  @NbrBondSymbols = (undef, undef, undef);
+
+  return $This->_DetectAtomNeighborhoodKeys($CentralAtomSymbol, \@NbrAtomSymbols, \@NbrBondSymbols);
+}
+
+# Generate 322 keyset key 54 value as 1/0 indicating its presence/absence or
+# count of its presence in a molecule.
+#
+# Key 54 description: Q(NNO)
+#
+sub _Generate322KeySetKey54 {
+  my($This) = @_;
+  my($CentralAtomSymbol, @NbrAtomSymbols, @NbrBondSymbols);
+
+  $CentralAtomSymbol = 'Q';
+  @NbrAtomSymbols = ('N', 'N', 'O');
+  @NbrBondSymbols = (undef, undef, undef);
+
+  return $This->_DetectAtomNeighborhoodKeys($CentralAtomSymbol, \@NbrAtomSymbols, \@NbrBondSymbols);
+}
+
+# Generate 322 keyset key 55 value as 1/0 indicating its presence/absence or
+# count of its presence in a molecule.
+#
+# Key 55 description: Q(OO)
+#
+sub _Generate322KeySetKey55 {
+  my($This) = @_;
+  my($CentralAtomSymbol, @NbrAtomSymbols, @NbrBondSymbols);
+
+  $CentralAtomSymbol = 'Q';
+  @NbrAtomSymbols = ('O', 'O');
+  @NbrBondSymbols = (undef, undef);
+
+  return $This->_DetectAtomNeighborhoodKeys($CentralAtomSymbol, \@NbrAtomSymbols, \@NbrBondSymbols);
+}
+
+# Generate 322 keyset key 56 value as 1/0 indicating its presence/absence or
+# count of its presence in a molecule.
+#
+# Key 56 description: Q(COO)
+#
+sub _Generate322KeySetKey56 {
+  my($This) = @_;
+  my($CentralAtomSymbol, @NbrAtomSymbols, @NbrBondSymbols);
+
+  $CentralAtomSymbol = 'Q';
+  @NbrAtomSymbols = ('C', 'O', 'O');
+  @NbrBondSymbols = (undef, undef, undef);
+
+  return $This->_DetectAtomNeighborhoodKeys($CentralAtomSymbol, \@NbrAtomSymbols, \@NbrBondSymbols);
+}
+
+# Generate 322 keyset key 57 value as 1/0 indicating its presence/absence or
+# count of its presence in a molecule.
+#
+# Key 57 description: Q(NOO)
+#
+sub _Generate322KeySetKey57 {
+  my($This) = @_;
+  my($CentralAtomSymbol, @NbrAtomSymbols, @NbrBondSymbols);
+
+  $CentralAtomSymbol = 'Q';
+  @NbrAtomSymbols = ('N', 'O', 'O');
+  @NbrBondSymbols = (undef, undef, undef);
+
+  return $This->_DetectAtomNeighborhoodKeys($CentralAtomSymbol, \@NbrAtomSymbols, \@NbrBondSymbols);
+}
+
+# Generate 322 keyset key 58 value as 1/0 indicating its presence/absence or
+# count of its presence in a molecule.
+#
+# Key 58 description: Q(OOO)
+#
+sub _Generate322KeySetKey58 {
+  my($This) = @_;
+  my($CentralAtomSymbol, @NbrAtomSymbols, @NbrBondSymbols);
+
+  $CentralAtomSymbol = 'Q';
+  @NbrAtomSymbols = ('O', 'O', 'O');
+  @NbrBondSymbols = (undef, undef, undef);
+
+  return $This->_DetectAtomNeighborhoodKeys($CentralAtomSymbol, \@NbrAtomSymbols, \@NbrBondSymbols);
+}
+
+# Generate 322 keyset key 59 value as 1/0 indicating its presence/absence or
+# count of its presence in a molecule.
+#
+# Key 59 description: C-C
+#
+sub _Generate322KeySetKey59 {
+  my($This) = @_;
+  my($BondSymbol) = '-';
+
+  return $This->_DetectBondKeys('C', 'C', $BondSymbol);
+}
+
+# Generate 322 keyset key 60 value as 1/0 indicating its presence/absence or
+# count of its presence in a molecule.
+#
+# Key 60 description: C-N
+#
+sub _Generate322KeySetKey60 {
+  my($This) = @_;
+  my($BondSymbol) = '-';
+
+  return $This->_DetectBondKeys('C', 'N', $BondSymbol);
+}
+
+# Generate 322 keyset key 61 value as 1/0 indicating its presence/absence or
+# count of its presence in a molecule.
+#
+# Key 61 description: C-O
+#
+sub _Generate322KeySetKey61 {
+  my($This) = @_;
+  my($BondSymbol) = '-';
+
+  return $This->_DetectBondKeys('C', 'O', $BondSymbol);
+}
+
+# Generate 322 keyset key 62 value as 1/0 indicating its presence/absence or
+# count of its presence in a molecule.
+#
+# Key 62 description: C-S
+#
+sub _Generate322KeySetKey62 {
+  my($This) = @_;
+  my($BondSymbol) = '-';
+
+  return $This->_DetectBondKeys('C', 'S', $BondSymbol);
+}
+
+# Generate 322 keyset key 63 value as 1/0 indicating its presence/absence or
+# count of its presence in a molecule.
+#
+# Key 63 description: C-Cl
+#
+sub _Generate322KeySetKey63 {
+  my($This) = @_;
+  my($BondSymbol) = '-';
+
+  return $This->_DetectBondKeys('C', 'Cl', $BondSymbol);
+}
+
+# Generate 322 keyset key 64 value as 1/0 indicating its presence/absence or
+# count of its presence in a molecule.
+#
+# Key 64 description: C-P
+#
+sub _Generate322KeySetKey64 {
+  my($This) = @_;
+  my($BondSymbol) = '-';
+
+  return $This->_DetectBondKeys('C', 'P', $BondSymbol);
+}
+
+# Generate 322 keyset key 65 value as 1/0 indicating its presence/absence or
+# count of its presence in a molecule.
+#
+# Key 65 description: C-F
+#
+sub _Generate322KeySetKey65 {
+  my($This) = @_;
+  my($BondSymbol) = '-';
+
+  return $This->_DetectBondKeys('C', 'F', $BondSymbol);
+}
+
+# Generate 322 keyset key 66 value as 1/0 indicating its presence/absence or
+# count of its presence in a molecule.
+#
+# Key 66 description: C-Br
+#
+sub _Generate322KeySetKey66 {
+  my($This) = @_;
+  my($BondSymbol) = '-';
+
+  return $This->_DetectBondKeys('C', 'Br', $BondSymbol);
+}
+
+# Generate 322 keyset key 67 value as 1/0 indicating its presence/absence or
+# count of its presence in a molecule.
+#
+# Key 67 description: C-Si
+#
+sub _Generate322KeySetKey67 {
+  my($This) = @_;
+  my($BondSymbol) = '-';
+
+  return $This->_DetectBondKeys('C', 'Si', $BondSymbol);
+}
+
+# Generate 322 keyset key 68 value as 1/0 indicating its presence/absence or
+# count of its presence in a molecule.
+#
+# Key 68 description: C-I
+#
+sub _Generate322KeySetKey68 {
+  my($This) = @_;
+  my($BondSymbol) = '-';
+
+  return $This->_DetectBondKeys('C', 'I', $BondSymbol);
+}
+
+# Generate 322 keyset key 69 value as 1/0 indicating its presence/absence or
+# count of its presence in a molecule.
+#
+# Key 69 description: C-X
+#
+sub _Generate322KeySetKey69 {
+  my($This) = @_;
+  my($BondSymbol) = '-';
+
+  return $This->_DetectBondKeys('C', 'Z', $BondSymbol);
+}
+
+# Generate 322 keyset key 70 value as 1/0 indicating its presence/absence or
+# count of its presence in a molecule.
+#
+# Key 70 description: N-N
+#
+sub _Generate322KeySetKey70 {
+  my($This) = @_;
+  my($BondSymbol) = '-';
+
+  return $This->_DetectBondKeys('N', 'N', $BondSymbol);
+}
+
+# Generate 322 keyset key 71 value as 1/0 indicating its presence/absence or
+# count of its presence in a molecule.
+#
+# Key 71 description: N-O
+#
+sub _Generate322KeySetKey71 {
+  my($This) = @_;
+  my($BondSymbol) = '-';
+
+  return $This->_DetectBondKeys('N', 'O', $BondSymbol);
+}
+
+# Generate 322 keyset key 72 value as 1/0 indicating its presence/absence or
+# count of its presence in a molecule.
+#
+# Key 72 description: N-S
+#
+sub _Generate322KeySetKey72 {
+  my($This) = @_;
+  my($BondSymbol) = '-';
+
+  return $This->_DetectBondKeys('N', 'S', $BondSymbol);
+}
+
+# Generate 322 keyset key 73 value as 1/0 indicating its presence/absence or
+# count of its presence in a molecule.
+#
+# Key 73 description: N-Cl
+#
+sub _Generate322KeySetKey73 {
+  my($This) = @_;
+  my($BondSymbol) = '-';
+
+  return $This->_DetectBondKeys('N', 'Cl', $BondSymbol);
+}
+
+# Generate 322 keyset key 74 value as 1/0 indicating its presence/absence or
+# count of its presence in a molecule.
+#
+# Key 74 description: N-P
+#
+sub _Generate322KeySetKey74 {
+  my($This) = @_;
+  my($BondSymbol) = '-';
+
+  return $This->_DetectBondKeys('N', 'P', $BondSymbol);
+}
+
+# Generate 322 keyset key 75 value as 1/0 indicating its presence/absence or
+# count of its presence in a molecule.
+#
+# Key 75 description: N-F
+#
+sub _Generate322KeySetKey75 {
+  my($This) = @_;
+  my($BondSymbol) = '-';
+
+  return $This->_DetectBondKeys('N', 'F', $BondSymbol);
+}
+
+# Generate 322 keyset key 76 value as 1/0 indicating its presence/absence or
+# count of its presence in a molecule.
+#
+# Key 76 description: N-Br
+#
+sub _Generate322KeySetKey76 {
+  my($This) = @_;
+  my($BondSymbol) = '-';
+
+  return $This->_DetectBondKeys('N', 'Br', $BondSymbol);
+}
+
+# Generate 322 keyset key 77 value as 1/0 indicating its presence/absence or
+# count of its presence in a molecule.
+#
+# Key 77 description: N-Si
+#
+sub _Generate322KeySetKey77 {
+  my($This) = @_;
+  my($BondSymbol) = '-';
+
+  return $This->_DetectBondKeys('N', 'Si', $BondSymbol);
+}
+
+# Generate 322 keyset key 78 value as 1/0 indicating its presence/absence or
+# count of its presence in a molecule.
+#
+# Key 78 description: N-I
+#
+sub _Generate322KeySetKey78 {
+  my($This) = @_;
+  my($BondSymbol) = '-';
+
+  return $This->_DetectBondKeys('N', 'I', $BondSymbol);
+}
+
+# Generate 322 keyset key 79 value as 1/0 indicating its presence/absence or
+# count of its presence in a molecule.
+#
+# Key 79 description: N-X
+#
+sub _Generate322KeySetKey79 {
+  my($This) = @_;
+  my($BondSymbol) = '-';
+
+  return $This->_DetectBondKeys('N', 'Z', $BondSymbol);
+}
+
+# Generate 322 keyset key 80 value as 1/0 indicating its presence/absence or
+# count of its presence in a molecule.
+#
+# Key 80 description: O-O
+#
+sub _Generate322KeySetKey80 {
+  my($This) = @_;
+  my($BondSymbol) = '-';
+
+  return $This->_DetectBondKeys('O', 'O', $BondSymbol);
+}
+
+# Generate 322 keyset key 81 value as 1/0 indicating its presence/absence or
+# count of its presence in a molecule.
+#
+# Key 81 description: O-S
+#
+sub _Generate322KeySetKey81 {
+  my($This) = @_;
+  my($BondSymbol) = '-';
+
+  return $This->_DetectBondKeys('O', 'S', $BondSymbol);
+}
+
+# Generate 322 keyset key 82 value as 1/0 indicating its presence/absence or
+# count of its presence in a molecule.
+#
+# Key 82 description: O-Cl
+#
+sub _Generate322KeySetKey82 {
+  my($This) = @_;
+  my($BondSymbol) = '-';
+
+  return $This->_DetectBondKeys('O', 'Cl', $BondSymbol);
+}
+
+# Generate 322 keyset key 83 value as 1/0 indicating its presence/absence or
+# count of its presence in a molecule.
+#
+# Key 83 description: O-P
+#
+sub _Generate322KeySetKey83 {
+  my($This) = @_;
+  my($BondSymbol) = '-';
+
+  return $This->_DetectBondKeys('O', 'P', $BondSymbol);
+}
+
+# Generate 322 keyset key 84 value as 1/0 indicating its presence/absence or
+# count of its presence in a molecule.
+#
+# Key 84 description: O-F
+#
+sub _Generate322KeySetKey84 {
+  my($This) = @_;
+  my($BondSymbol) = '-';
+
+  return $This->_DetectBondKeys('O', 'F', $BondSymbol);
+}
+
+# Generate 322 keyset key 85 value as 1/0 indicating its presence/absence or
+# count of its presence in a molecule.
+#
+# Key 85 description: O-Br
+#
+sub _Generate322KeySetKey85 {
+  my($This) = @_;
+  my($BondSymbol) = '-';
+
+  return $This->_DetectBondKeys('O', 'Br', $BondSymbol);
+}
+
+# Generate 322 keyset key 86 value as 1/0 indicating its presence/absence or
+# count of its presence in a molecule.
+#
+# Key 86 description: O-Si
+#
+sub _Generate322KeySetKey86 {
+  my($This) = @_;
+  my($BondSymbol) = '-';
+
+  return $This->_DetectBondKeys('O', 'Si', $BondSymbol);
+}
+
+# Generate 322 keyset key 87 value as 1/0 indicating its presence/absence or
+# count of its presence in a molecule.
+#
+# Key 87 description: O-I
+#
+sub _Generate322KeySetKey87 {
+  my($This) = @_;
+  my($BondSymbol) = '-';
+
+  return $This->_DetectBondKeys('O', 'I', $BondSymbol);
+}
+
+# Generate 322 keyset key 88 value as 1/0 indicating its presence/absence or
+# count of its presence in a molecule.
+#
+# Key 88 description: O-X
+#
+sub _Generate322KeySetKey88 {
+  my($This) = @_;
+  my($BondSymbol) = '-';
+
+  return $This->_DetectBondKeys('O', 'Z', $BondSymbol);
+}
+
+# Generate 322 keyset key 89 value as 1/0 indicating its presence/absence or
+# count of its presence in a molecule.
+#
+# Key 89 description: S-S
+#
+sub _Generate322KeySetKey89 {
+  my($This) = @_;
+  my($BondSymbol) = '-';
+
+  return $This->_DetectBondKeys('S', 'S', $BondSymbol);
+}
+
+# Generate 322 keyset key 90 value as 1/0 indicating its presence/absence or
+# count of its presence in a molecule.
+#
+# Key 90 description: S-Cl
+#
+sub _Generate322KeySetKey90 {
+  my($This) = @_;
+  my($BondSymbol) = '-';
+
+  return $This->_DetectBondKeys('S', 'Cl', $BondSymbol);
+}
+
+# Generate 322 keyset key 91 value as 1/0 indicating its presence/absence or
+# count of its presence in a molecule.
+#
+# Key 91 description: S-P
+#
+sub _Generate322KeySetKey91 {
+  my($This) = @_;
+  my($BondSymbol) = '-';
+
+  return $This->_DetectBondKeys('S', 'P', $BondSymbol);
+}
+
+# Generate 322 keyset key 92 value as 1/0 indicating its presence/absence or
+# count of its presence in a molecule.
+#
+# Key 92 description: S-F
+#
+sub _Generate322KeySetKey92 {
+  my($This) = @_;
+  my($BondSymbol) = '-';
+
+  return $This->_DetectBondKeys('S', 'F', $BondSymbol);
+}
+
+# Generate 322 keyset key 93 value as 1/0 indicating its presence/absence or
+# count of its presence in a molecule.
+#
+# Key 93 description: S-Br
+#
+sub _Generate322KeySetKey93 {
+  my($This) = @_;
+  my($BondSymbol) = '-';
+
+  return $This->_DetectBondKeys('S', 'Br', $BondSymbol);
+}
+
+# Generate 322 keyset key 94 value as 1/0 indicating its presence/absence or
+# count of its presence in a molecule.
+#
+# Key 94 description: S-Si
+#
+sub _Generate322KeySetKey94 {
+  my($This) = @_;
+  my($BondSymbol) = '-';
+
+  return $This->_DetectBondKeys('S', 'Si', $BondSymbol);
+}
+
+# Generate 322 keyset key 95 value as 1/0 indicating its presence/absence or
+# count of its presence in a molecule.
+#
+# Key 95 description: S-I
+#
+sub _Generate322KeySetKey95 {
+  my($This) = @_;
+  my($BondSymbol) = '-';
+
+  return $This->_DetectBondKeys('S', 'I', $BondSymbol);
+}
+
+# Generate 322 keyset key 96 value as 1/0 indicating its presence/absence or
+# count of its presence in a molecule.
+#
+# Key 96 description: S-X
+#
+sub _Generate322KeySetKey96 {
+  my($This) = @_;
+  my($BondSymbol) = '-';
+
+  return $This->_DetectBondKeys('S', 'Z', $BondSymbol);
+}
+
+# Generate 322 keyset key 97 value as 1/0 indicating its presence/absence or
+# count of its presence in a molecule.
+#
+# Key 97 description: Cl-Cl
+#
+sub _Generate322KeySetKey97 {
+  my($This) = @_;
+  my($BondSymbol) = '-';
+
+  return $This->_DetectBondKeys('Cl', 'Cl', $BondSymbol);
+}
+
+# Generate 322 keyset key 98 value as 1/0 indicating its presence/absence or
+# count of its presence in a molecule.
+#
+# Key 98 description: Cl-P
+#
+sub _Generate322KeySetKey98 {
+  my($This) = @_;
+  my($BondSymbol) = '-';
+
+  return $This->_DetectBondKeys('Cl', 'P', $BondSymbol);
+}
+
+# Generate 322 keyset key 99 value as 1/0 indicating its presence/absence or
+# count of its presence in a molecule.
+#
+# Key 99 description: Cl-F
+#
+sub _Generate322KeySetKey99 {
+  my($This) = @_;
+  my($BondSymbol) = '-';
+
+  return $This->_DetectBondKeys('Cl', 'F', $BondSymbol);
+}
+
+# Generate 322 keyset key 100 value as 1/0 indicating its presence/absence or
+# count of its presence in a molecule.
+#
+# Key 100 description: Cl-Br
+#
+sub _Generate322KeySetKey100 {
+  my($This) = @_;
+  my($BondSymbol) = '-';
+
+  return $This->_DetectBondKeys('Cl', 'Br', $BondSymbol);
+}
+
+# Generate 322 keyset key 101 value as 1/0 indicating its presence/absence or
+# count of its presence in a molecule.
+#
+# Key 101 description: Cl-Si
+#
+sub _Generate322KeySetKey101 {
+  my($This) = @_;
+  my($BondSymbol) = '-';
+
+  return $This->_DetectBondKeys('Cl', 'Si', $BondSymbol);
+}
+
+# Generate 322 keyset key 102 value as 1/0 indicating its presence/absence or
+# count of its presence in a molecule.
+#
+# Key 102 description: Cl-I
+#
+sub _Generate322KeySetKey102 {
+  my($This) = @_;
+  my($BondSymbol) = '-';
+
+  return $This->_DetectBondKeys('Cl', 'I', $BondSymbol);
+}
+
+# Generate 322 keyset key 103 value as 1/0 indicating its presence/absence or
+# count of its presence in a molecule.
+#
+# Key 103 description: Cl-X
+#
+sub _Generate322KeySetKey103 {
+  my($This) = @_;
+  my($BondSymbol) = '-';
+
+  return $This->_DetectBondKeys('Cl', 'Z', $BondSymbol);
+}
+
+# Generate 322 keyset key 104 value as 1/0 indicating its presence/absence or
+# count of its presence in a molecule.
+#
+# Key 104 description: P-P
+#
+sub _Generate322KeySetKey104 {
+  my($This) = @_;
+  my($BondSymbol) = '-';
+
+  return $This->_DetectBondKeys('P', 'P', $BondSymbol);
+}
+
+# Generate 322 keyset key 105 value as 1/0 indicating its presence/absence or
+# count of its presence in a molecule.
+#
+# Key 105 description: P-F
+#
+sub _Generate322KeySetKey105 {
+  my($This) = @_;
+  my($BondSymbol) = '-';
+
+  return $This->_DetectBondKeys('P', 'F', $BondSymbol);
+}
+
+# Generate 322 keyset key 106 value as 1/0 indicating its presence/absence or
+# count of its presence in a molecule.
+#
+# Key 106 description: P-Br
+#
+sub _Generate322KeySetKey106 {
+  my($This) = @_;
+  my($BondSymbol) = '-';
+
+  return $This->_DetectBondKeys('P', 'Br', $BondSymbol);
+}
+
+# Generate 322 keyset key 107 value as 1/0 indicating its presence/absence or
+# count of its presence in a molecule.
+#
+# Key 107 description: P-Si
+#
+sub _Generate322KeySetKey107 {
+  my($This) = @_;
+  my($BondSymbol) = '-';
+
+  return $This->_DetectBondKeys('P', 'Si', $BondSymbol);
+}
+
+# Generate 322 keyset key 108 value as 1/0 indicating its presence/absence or
+# count of its presence in a molecule.
+#
+# Key 108 description: P-I
+#
+sub _Generate322KeySetKey108 {
+  my($This) = @_;
+  my($BondSymbol) = '-';
+
+  return $This->_DetectBondKeys('P', 'I', $BondSymbol);
+}
+
+# Generate 322 keyset key 109 value as 1/0 indicating its presence/absence or
+# count of its presence in a molecule.
+#
+# Key 109 description: P-X
+#
+sub _Generate322KeySetKey109 {
+  my($This) = @_;
+  my($BondSymbol) = '-';
+
+  return $This->_DetectBondKeys('P', 'Z', $BondSymbol);
+}
+
+# Generate 322 keyset key 110 value as 1/0 indicating its presence/absence or
+# count of its presence in a molecule.
+#
+# Key 110 description: F-F
+#
+sub _Generate322KeySetKey110 {
+  my($This) = @_;
+  my($BondSymbol) = '-';
+
+  return $This->_DetectBondKeys('F', 'F', $BondSymbol);
+}
+
+# Generate 322 keyset key 111 value as 1/0 indicating its presence/absence or
+# count of its presence in a molecule.
+#
+# Key 111 description: F-Br
+#
+sub _Generate322KeySetKey111 {
+  my($This) = @_;
+  my($BondSymbol) = '-';
+
+  return $This->_DetectBondKeys('F', 'Br', $BondSymbol);
+}
+
+# Generate 322 keyset key 112 value as 1/0 indicating its presence/absence or
+# count of its presence in a molecule.
+#
+# Key 112 description: F-Si
+#
+sub _Generate322KeySetKey112 {
+  my($This) = @_;
+  my($BondSymbol) = '-';
+
+  return $This->_DetectBondKeys('F', 'Si', $BondSymbol);
+}
+
+# Generate 322 keyset key 113 value as 1/0 indicating its presence/absence or
+# count of its presence in a molecule.
+#
+# Key 113 description: F-I
+#
+sub _Generate322KeySetKey113 {
+  my($This) = @_;
+  my($BondSymbol) = '-';
+
+  return $This->_DetectBondKeys('F', 'I', $BondSymbol);
+}
+
+# Generate 322 keyset key 114 value as 1/0 indicating its presence/absence or
+# count of its presence in a molecule.
+#
+# Key 114 description: F-X
+#
+sub _Generate322KeySetKey114 {
+  my($This) = @_;
+  my($BondSymbol) = '-';
+
+  return $This->_DetectBondKeys('F', 'Z', $BondSymbol);
+}
+
+# Generate 322 keyset key 115 value as 1/0 indicating its presence/absence or
+# count of its presence in a molecule.
+#
+# Key 115 description: Br-Br
+#
+sub _Generate322KeySetKey115 {
+  my($This) = @_;
+  my($BondSymbol) = '-';
+
+  return $This->_DetectBondKeys('Br', 'Br', $BondSymbol);
+}
+
+# Generate 322 keyset key 116 value as 1/0 indicating its presence/absence or
+# count of its presence in a molecule.
+#
+# Key 116 description: Br-Si
+#
+sub _Generate322KeySetKey116 {
+  my($This) = @_;
+  my($BondSymbol) = '-';
+
+  return $This->_DetectBondKeys('Br', 'Si', $BondSymbol);
+}
+
+# Generate 322 keyset key 117 value as 1/0 indicating its presence/absence or
+# count of its presence in a molecule.
+#
+# Key 117 description: Br-I
+#
+sub _Generate322KeySetKey117 {
+  my($This) = @_;
+  my($BondSymbol) = '-';
+
+  return $This->_DetectBondKeys('Br', 'I', $BondSymbol);
+}
+
+# Generate 322 keyset key 118 value as 1/0 indicating its presence/absence or
+# count of its presence in a molecule.
+#
+# Key 118 description: Br-X
+#
+sub _Generate322KeySetKey118 {
+  my($This) = @_;
+  my($BondSymbol) = '-';
+
+  return $This->_DetectBondKeys('Br', 'Z', $BondSymbol);
+}
+
+# Generate 322 keyset key 119 value as 1/0 indicating its presence/absence or
+# count of its presence in a molecule.
+#
+# Key 119 description: Si-Si
+#
+sub _Generate322KeySetKey119 {
+  my($This) = @_;
+  my($BondSymbol) = '-';
+
+  return $This->_DetectBondKeys('Si', 'Si', $BondSymbol);
+}
+
+# Generate 322 keyset key 120 value as 1/0 indicating its presence/absence or
+# count of its presence in a molecule.
+#
+# Key 120 description: Si-I
+#
+sub _Generate322KeySetKey120 {
+  my($This) = @_;
+  my($BondSymbol) = '-';
+
+  return $This->_DetectBondKeys('Si', 'I', $BondSymbol);
+}
+
+# Generate 322 keyset key 121 value as 1/0 indicating its presence/absence or
+# count of its presence in a molecule.
+#
+# Key 121 description: Si-X
+#
+sub _Generate322KeySetKey121 {
+  my($This) = @_;
+  my($BondSymbol) = '-';
+
+  return $This->_DetectBondKeys('Si', 'Z', $BondSymbol);
+}
+
+# Generate 322 keyset key 122 value as 1/0 indicating its presence/absence or
+# count of its presence in a molecule.
+#
+# Key 122 description: I-I
+#
+sub _Generate322KeySetKey122 {
+  my($This) = @_;
+  my($BondSymbol) = '-';
+
+  return $This->_DetectBondKeys('I', 'I', $BondSymbol);
+}
+
+# Generate 322 keyset key 123 value as 1/0 indicating its presence/absence or
+# count of its presence in a molecule.
+#
+# Key 123 description: I-X
+#
+sub _Generate322KeySetKey123 {
+  my($This) = @_;
+  my($BondSymbol) = '-';
+
+  return $This->_DetectBondKeys('I', 'Z', $BondSymbol);
+}
+
+# Generate 322 keyset key 124 value as 1/0 indicating its presence/absence or
+# count of its presence in a molecule.
+#
+# Key 124 description: X-X
+#
+sub _Generate322KeySetKey124 {
+  my($This) = @_;
+  my($BondSymbol) = '-';
+
+  return $This->_DetectBondKeys('Z', 'Z', $BondSymbol);
+}
+
+# Generate 322 keyset key 125 value as 1/0 indicating its presence/absence or
+# count of its presence in a molecule.
+#
+# Key 125 description: C=C
+#
+sub _Generate322KeySetKey125 {
+  my($This) = @_;
+  my($BondSymbol) = '=';
+
+  return $This->_DetectBondKeys('C', 'C', $BondSymbol);
+}
+
+# Generate 322 keyset key 126 value as 1/0 indicating its presence/absence or
+# count of its presence in a molecule.
+#
+# Key 126 description: C=N
+#
+sub _Generate322KeySetKey126 {
+  my($This) = @_;
+  my($BondSymbol) = '=';
+
+  return $This->_DetectBondKeys('C', 'N', $BondSymbol);
+}
+
+# Generate 322 keyset key 127 value as 1/0 indicating its presence/absence or
+# count of its presence in a molecule.
+#
+# Key 127 description: C=O
+#
+sub _Generate322KeySetKey127 {
+  my($This) = @_;
+  my($BondSymbol) = '=';
+
+  return $This->_DetectBondKeys('C', 'O', $BondSymbol);
+}
+
+# Generate 322 keyset key 128 value as 1/0 indicating its presence/absence or
+# count of its presence in a molecule.
+#
+# Key 128 description: C=S
+#
+sub _Generate322KeySetKey128 {
+  my($This) = @_;
+  my($BondSymbol) = '=';
+
+  return $This->_DetectBondKeys('C', 'S', $BondSymbol);
+}
+
+# Generate 322 keyset key 129 value as 1/0 indicating its presence/absence or
+# count of its presence in a molecule.
+#
+# Key 129 description: C=Cl
+#
+sub _Generate322KeySetKey129 {
+  my($This) = @_;
+  my($BondSymbol) = '=';
+
+  return $This->_DetectBondKeys('C', 'Cl', $BondSymbol);
+}
+
+# Generate 322 keyset key 130 value as 1/0 indicating its presence/absence or
+# count of its presence in a molecule.
+#
+# Key 130 description: C=P
+#
+sub _Generate322KeySetKey130 {
+  my($This) = @_;
+  my($BondSymbol) = '=';
+
+  return $This->_DetectBondKeys('C', 'P', $BondSymbol);
+}
+
+# Generate 322 keyset key 131 value as 1/0 indicating its presence/absence or
+# count of its presence in a molecule.
+#
+# Key 131 description: C=F
+#
+sub _Generate322KeySetKey131 {
+  my($This) = @_;
+  my($BondSymbol) = '=';
+
+  return $This->_DetectBondKeys('C', 'F', $BondSymbol);
+}
+
+# Generate 322 keyset key 132 value as 1/0 indicating its presence/absence or
+# count of its presence in a molecule.
+#
+# Key 132 description: C=Br
+#
+sub _Generate322KeySetKey132 {
+  my($This) = @_;
+  my($BondSymbol) = '=';
+
+  return $This->_DetectBondKeys('C', 'Br', $BondSymbol);
+}
+
+# Generate 322 keyset key 133 value as 1/0 indicating its presence/absence or
+# count of its presence in a molecule.
+#
+# Key 133 description: C=Si
+#
+sub _Generate322KeySetKey133 {
+  my($This) = @_;
+  my($BondSymbol) = '=';
+
+  return $This->_DetectBondKeys('C', 'Si', $BondSymbol);
+}
+
+# Generate 322 keyset key 134 value as 1/0 indicating its presence/absence or
+# count of its presence in a molecule.
+#
+# Key 134 description: C=I
+#
+sub _Generate322KeySetKey134 {
+  my($This) = @_;
+  my($BondSymbol) = '=';
+
+  return $This->_DetectBondKeys('C', 'I', $BondSymbol);
+}
+
+# Generate 322 keyset key 135 value as 1/0 indicating its presence/absence or
+# count of its presence in a molecule.
+#
+# Key 135 description: C=X
+#
+sub _Generate322KeySetKey135 {
+  my($This) = @_;
+  my($BondSymbol) = '=';
+
+  return $This->_DetectBondKeys('C', 'Z', $BondSymbol);
+}
+
+# Generate 322 keyset key 136 value as 1/0 indicating its presence/absence or
+# count of its presence in a molecule.
+#
+# Key 136 description: N=N
+#
+sub _Generate322KeySetKey136 {
+  my($This) = @_;
+  my($BondSymbol) = '=';
+
+  return $This->_DetectBondKeys('N', 'N', $BondSymbol);
+}
+
+# Generate 322 keyset key 137 value as 1/0 indicating its presence/absence or
+# count of its presence in a molecule.
+#
+# Key 137 description: N=O
+#
+sub _Generate322KeySetKey137 {
+  my($This) = @_;
+  my($BondSymbol) = '=';
+
+  return $This->_DetectBondKeys('N', 'O', $BondSymbol);
+}
+
+# Generate 322 keyset key 138 value as 1/0 indicating its presence/absence or
+# count of its presence in a molecule.
+#
+# Key 138 description: N=S
+#
+sub _Generate322KeySetKey138 {
+  my($This) = @_;
+  my($BondSymbol) = '=';
+
+  return $This->_DetectBondKeys('N', 'S', $BondSymbol);
+}
+
+# Generate 322 keyset key 139 value as 1/0 indicating its presence/absence or
+# count of its presence in a molecule.
+#
+# Key 139 description: N=Cl
+#
+sub _Generate322KeySetKey139 {
+  my($This) = @_;
+  my($BondSymbol) = '=';
+
+  return $This->_DetectBondKeys('N', 'Cl', $BondSymbol);
+}
+
+# Generate 322 keyset key 140 value as 1/0 indicating its presence/absence or
+# count of its presence in a molecule.
+#
+# Key 140 description: N=P
+#
+sub _Generate322KeySetKey140 {
+  my($This) = @_;
+  my($BondSymbol) = '=';
+
+  return $This->_DetectBondKeys('N', 'P', $BondSymbol);
+}
+
+# Generate 322 keyset key 141 value as 1/0 indicating its presence/absence or
+# count of its presence in a molecule.
+#
+# Key 141 description: N=F
+#
+sub _Generate322KeySetKey141 {
+  my($This) = @_;
+  my($BondSymbol) = '=';
+
+  return $This->_DetectBondKeys('N', 'F', $BondSymbol);
+}
+
+# Generate 322 keyset key 142 value as 1/0 indicating its presence/absence or
+# count of its presence in a molecule.
+#
+# Key 142 description: N=Br
+#
+sub _Generate322KeySetKey142 {
+  my($This) = @_;
+  my($BondSymbol) = '=';
+
+  return $This->_DetectBondKeys('N', 'Br', $BondSymbol);
+}
+
+# Generate 322 keyset key 143 value as 1/0 indicating its presence/absence or
+# count of its presence in a molecule.
+#
+# Key 143 description: N=Si
+#
+sub _Generate322KeySetKey143 {
+  my($This) = @_;
+  my($BondSymbol) = '=';
+
+  return $This->_DetectBondKeys('N', 'Si', $BondSymbol);
+}
+
+# Generate 322 keyset key 144 value as 1/0 indicating its presence/absence or
+# count of its presence in a molecule.
+#
+# Key 144 description: N=I
+#
+sub _Generate322KeySetKey144 {
+  my($This) = @_;
+  my($BondSymbol) = '=';
+
+  return $This->_DetectBondKeys('N', 'I', $BondSymbol);
+}
+
+# Generate 322 keyset key 145 value as 1/0 indicating its presence/absence or
+# count of its presence in a molecule.
+#
+# Key 145 description: N=X
+#
+sub _Generate322KeySetKey145 {
+  my($This) = @_;
+  my($BondSymbol) = '=';
+
+  return $This->_DetectBondKeys('N', 'Z', $BondSymbol);
+}
+
+# Generate 322 keyset key 146 value as 1/0 indicating its presence/absence or
+# count of its presence in a molecule.
+#
+# Key 146 description: O=O
+#
+sub _Generate322KeySetKey146 {
+  my($This) = @_;
+  my($BondSymbol) = '=';
+
+  return $This->_DetectBondKeys('O', 'O', $BondSymbol);
+}
+
+# Generate 322 keyset key 147 value as 1/0 indicating its presence/absence or
+# count of its presence in a molecule.
+#
+# Key 147 description: O=S
+#
+sub _Generate322KeySetKey147 {
+  my($This) = @_;
+  my($BondSymbol) = '=';
+
+  return $This->_DetectBondKeys('O', 'S', $BondSymbol);
+}
+
+# Generate 322 keyset key 148 value as 1/0 indicating its presence/absence or
+# count of its presence in a molecule.
+#
+# Key 148 description: O=Cl
+#
+sub _Generate322KeySetKey148 {
+  my($This) = @_;
+  my($BondSymbol) = '=';
+
+  return $This->_DetectBondKeys('O', 'Cl', $BondSymbol);
+}
+
+# Generate 322 keyset key 149 value as 1/0 indicating its presence/absence or
+# count of its presence in a molecule.
+#
+# Key 149 description: O=P
+#
+sub _Generate322KeySetKey149 {
+  my($This) = @_;
+  my($BondSymbol) = '=';
+
+  return $This->_DetectBondKeys('O', 'P', $BondSymbol);
+}
+
+# Generate 322 keyset key 150 value as 1/0 indicating its presence/absence or
+# count of its presence in a molecule.
+#
+# Key 150 description: O=F
+#
+sub _Generate322KeySetKey150 {
+  my($This) = @_;
+  my($BondSymbol) = '=';
+
+  return $This->_DetectBondKeys('O', 'F', $BondSymbol);
+}
+
+# Generate 322 keyset key 151 value as 1/0 indicating its presence/absence or
+# count of its presence in a molecule.
+#
+# Key 151 description: O=Br
+#
+sub _Generate322KeySetKey151 {
+  my($This) = @_;
+  my($BondSymbol) = '=';
+
+  return $This->_DetectBondKeys('O', 'Br', $BondSymbol);
+}
+
+# Generate 322 keyset key 152 value as 1/0 indicating its presence/absence or
+# count of its presence in a molecule.
+#
+# Key 152 description: O=Si
+#
+sub _Generate322KeySetKey152 {
+  my($This) = @_;
+  my($BondSymbol) = '=';
+
+  return $This->_DetectBondKeys('O', 'Si', $BondSymbol);
+}
+
+# Generate 322 keyset key 153 value as 1/0 indicating its presence/absence or
+# count of its presence in a molecule.
+#
+# Key 153 description: O=I
+#
+sub _Generate322KeySetKey153 {
+  my($This) = @_;
+  my($BondSymbol) = '=';
+
+  return $This->_DetectBondKeys('O', 'I', $BondSymbol);
+}
+
+# Generate 322 keyset key 154 value as 1/0 indicating its presence/absence or
+# count of its presence in a molecule.
+#
+# Key 154 description: O=X
+#
+sub _Generate322KeySetKey154 {
+  my($This) = @_;
+  my($BondSymbol) = '=';
+
+  return $This->_DetectBondKeys('O', 'Z', $BondSymbol);
+}
+
+# Generate 322 keyset key 155 value as 1/0 indicating its presence/absence or
+# count of its presence in a molecule.
+#
+# Key 155 description: S=S
+#
+sub _Generate322KeySetKey155 {
+  my($This) = @_;
+  my($BondSymbol) = '=';
+
+  return $This->_DetectBondKeys('S', 'S', $BondSymbol);
+}
+
+# Generate 322 keyset key 156 value as 1/0 indicating its presence/absence or
+# count of its presence in a molecule.
+#
+# Key 156 description: S=Cl
+#
+sub _Generate322KeySetKey156 {
+  my($This) = @_;
+  my($BondSymbol) = '=';
+
+  return $This->_DetectBondKeys('S', 'Cl', $BondSymbol);
+}
+
+# Generate 322 keyset key 157 value as 1/0 indicating its presence/absence or
+# count of its presence in a molecule.
+#
+# Key 157 description: S=P
+#
+sub _Generate322KeySetKey157 {
+  my($This) = @_;
+  my($BondSymbol) = '=';
+
+  return $This->_DetectBondKeys('S', 'P', $BondSymbol);
+}
+
+# Generate 322 keyset key 158 value as 1/0 indicating its presence/absence or
+# count of its presence in a molecule.
+#
+# Key 158 description: S=F
+#
+sub _Generate322KeySetKey158 {
+  my($This) = @_;
+  my($BondSymbol) = '=';
+
+  return $This->_DetectBondKeys('S', 'F', $BondSymbol);
+}
+
+# Generate 322 keyset key 159 value as 1/0 indicating its presence/absence or
+# count of its presence in a molecule.
+#
+# Key 159 description: S=Br
+#
+sub _Generate322KeySetKey159 {
+  my($This) = @_;
+  my($BondSymbol) = '=';
+
+  return $This->_DetectBondKeys('S', 'Br', $BondSymbol);
+}
+
+# Generate 322 keyset key 160 value as 1/0 indicating its presence/absence or
+# count of its presence in a molecule.
+#
+# Key 160 description: S=Si
+#
+sub _Generate322KeySetKey160 {
+  my($This) = @_;
+  my($BondSymbol) = '=';
+
+  return $This->_DetectBondKeys('S', 'Si', $BondSymbol);
+}
+
+# Generate 322 keyset key 161 value as 1/0 indicating its presence/absence or
+# count of its presence in a molecule.
+#
+# Key 161 description: S=I
+#
+sub _Generate322KeySetKey161 {
+  my($This) = @_;
+  my($BondSymbol) = '=';
+
+  return $This->_DetectBondKeys('S', 'I', $BondSymbol);
+}
+
+# Generate 322 keyset key 162 value as 1/0 indicating its presence/absence or
+# count of its presence in a molecule.
+#
+# Key 162 description: S=X
+#
+sub _Generate322KeySetKey162 {
+  my($This) = @_;
+  my($BondSymbol) = '=';
+
+  return $This->_DetectBondKeys('S', 'Z', $BondSymbol);
+}
+
+# Generate 322 keyset key 163 value as 1/0 indicating its presence/absence or
+# count of its presence in a molecule.
+#
+# Key 163 description: Cl=Cl
+#
+sub _Generate322KeySetKey163 {
+  my($This) = @_;
+  my($BondSymbol) = '=';
+
+  return $This->_DetectBondKeys('Cl', 'Cl', $BondSymbol);
+}
+
+# Generate 322 keyset key 164 value as 1/0 indicating its presence/absence or
+# count of its presence in a molecule.
+#
+# Key 164 description: Cl=P
+#
+sub _Generate322KeySetKey164 {
+  my($This) = @_;
+  my($BondSymbol) = '=';
+
+  return $This->_DetectBondKeys('Cl', 'P', $BondSymbol);
+}
+
+# Generate 322 keyset key 165 value as 1/0 indicating its presence/absence or
+# count of its presence in a molecule.
+#
+# Key 165 description: Cl=F
+#
+sub _Generate322KeySetKey165 {
+  my($This) = @_;
+  my($BondSymbol) = '=';
+
+  return $This->_DetectBondKeys('Cl', 'F', $BondSymbol);
+}
+
+# Generate 322 keyset key 166 value as 1/0 indicating its presence/absence or
+# count of its presence in a molecule.
+#
+# Key 166 description: Cl=Br
+#
+sub _Generate322KeySetKey166 {
+  my($This) = @_;
+  my($BondSymbol) = '=';
+
+  return $This->_DetectBondKeys('Cl', 'Br', $BondSymbol);
+}
+
+# Generate 322 keyset key 167 value as 1/0 indicating its presence/absence or
+# count of its presence in a molecule.
+#
+# Key 167 description: Cl=Si
+#
+sub _Generate322KeySetKey167 {
+  my($This) = @_;
+  my($BondSymbol) = '=';
+
+  return $This->_DetectBondKeys('Cl', 'Si', $BondSymbol);
+}
+
+# Generate 322 keyset key 168 value as 1/0 indicating its presence/absence or
+# count of its presence in a molecule.
+#
+# Key 168 description: Cl=I
+#
+sub _Generate322KeySetKey168 {
+  my($This) = @_;
+  my($BondSymbol) = '=';
+
+  return $This->_DetectBondKeys('Cl', 'I', $BondSymbol);
+}
+
+# Generate 322 keyset key 169 value as 1/0 indicating its presence/absence or
+# count of its presence in a molecule.
+#
+# Key 169 description: Cl=X
+#
+sub _Generate322KeySetKey169 {
+  my($This) = @_;
+  my($BondSymbol) = '=';
+
+  return $This->_DetectBondKeys('Cl', 'Z', $BondSymbol);
+}
+
+# Generate 322 keyset key 170 value as 1/0 indicating its presence/absence or
+# count of its presence in a molecule.
+#
+# Key 170 description: P=P
+#
+sub _Generate322KeySetKey170 {
+  my($This) = @_;
+  my($BondSymbol) = '=';
+
+  return $This->_DetectBondKeys('P', 'P', $BondSymbol);
+}
+
+# Generate 322 keyset key 171 value as 1/0 indicating its presence/absence or
+# count of its presence in a molecule.
+#
+# Key 171 description: P=F
+#
+sub _Generate322KeySetKey171 {
+  my($This) = @_;
+  my($BondSymbol) = '=';
+
+  return $This->_DetectBondKeys('P', 'F', $BondSymbol);
+}
+
+# Generate 322 keyset key 172 value as 1/0 indicating its presence/absence or
+# count of its presence in a molecule.
+#
+# Key 172 description: P=Br
+#
+sub _Generate322KeySetKey172 {
+  my($This) = @_;
+  my($BondSymbol) = '=';
+
+  return $This->_DetectBondKeys('P', 'Br', $BondSymbol);
+}
+
+# Generate 322 keyset key 173 value as 1/0 indicating its presence/absence or
+# count of its presence in a molecule.
+#
+# Key 173 description: P=Si
+#
+sub _Generate322KeySetKey173 {
+  my($This) = @_;
+  my($BondSymbol) = '=';
+
+  return $This->_DetectBondKeys('P', 'Si', $BondSymbol);
+}
+
+# Generate 322 keyset key 174 value as 1/0 indicating its presence/absence or
+# count of its presence in a molecule.
+#
+# Key 174 description: P=I
+#
+sub _Generate322KeySetKey174 {
+  my($This) = @_;
+  my($BondSymbol) = '=';
+
+  return $This->_DetectBondKeys('P', 'I', $BondSymbol);
+}
+
+# Generate 322 keyset key 175 value as 1/0 indicating its presence/absence or
+# count of its presence in a molecule.
+#
+# Key 175 description: P=X
+#
+sub _Generate322KeySetKey175 {
+  my($This) = @_;
+  my($BondSymbol) = '=';
+
+  return $This->_DetectBondKeys('P', 'Z', $BondSymbol);
+}
+
+# Generate 322 keyset key 176 value as 1/0 indicating its presence/absence or
+# count of its presence in a molecule.
+#
+# Key 176 description: F=F
+#
+sub _Generate322KeySetKey176 {
+  my($This) = @_;
+  my($BondSymbol) = '=';
+
+  return $This->_DetectBondKeys('F', 'F', $BondSymbol);
+}
+
+# Generate 322 keyset key 177 value as 1/0 indicating its presence/absence or
+# count of its presence in a molecule.
+#
+# Key 177 description: F=Br
+#
+sub _Generate322KeySetKey177 {
+  my($This) = @_;
+  my($BondSymbol) = '=';
+
+  return $This->_DetectBondKeys('F', 'Br', $BondSymbol);
+}
+
+# Generate 322 keyset key 178 value as 1/0 indicating its presence/absence or
+# count of its presence in a molecule.
+#
+# Key 178 description: F=Si
+#
+sub _Generate322KeySetKey178 {
+  my($This) = @_;
+  my($BondSymbol) = '=';
+
+  return $This->_DetectBondKeys('F', 'Si', $BondSymbol);
+}
+
+# Generate 322 keyset key 179 value as 1/0 indicating its presence/absence or
+# count of its presence in a molecule.
+#
+# Key 179 description: F=I
+#
+sub _Generate322KeySetKey179 {
+  my($This) = @_;
+  my($BondSymbol) = '=';
+
+  return $This->_DetectBondKeys('F', 'I', $BondSymbol);
+}
+
+# Generate 322 keyset key 180 value as 1/0 indicating its presence/absence or
+# count of its presence in a molecule.
+#
+# Key 180 description: F=X
+#
+sub _Generate322KeySetKey180 {
+  my($This) = @_;
+  my($BondSymbol) = '=';
+
+  return $This->_DetectBondKeys('F', 'Z', $BondSymbol);
+}
+
+# Generate 322 keyset key 181 value as 1/0 indicating its presence/absence or
+# count of its presence in a molecule.
+#
+# Key 181 description: Br=Br
+#
+sub _Generate322KeySetKey181 {
+  my($This) = @_;
+  my($BondSymbol) = '=';
+
+  return $This->_DetectBondKeys('Br', 'Br', $BondSymbol);
+}
+
+# Generate 322 keyset key 182 value as 1/0 indicating its presence/absence or
+# count of its presence in a molecule.
+#
+# Key 182 description: Br=Si
+#
+sub _Generate322KeySetKey182 {
+  my($This) = @_;
+  my($BondSymbol) = '=';
+
+  return $This->_DetectBondKeys('Br', 'Si', $BondSymbol);
+}
+
+# Generate 322 keyset key 183 value as 1/0 indicating its presence/absence or
+# count of its presence in a molecule.
+#
+# Key 183 description: Br=I
+#
+sub _Generate322KeySetKey183 {
+  my($This) = @_;
+  my($BondSymbol) = '=';
+
+  return $This->_DetectBondKeys('Br', 'I', $BondSymbol);
+}
+
+# Generate 322 keyset key 184 value as 1/0 indicating its presence/absence or
+# count of its presence in a molecule.
+#
+# Key 184 description: Br=X
+#
+sub _Generate322KeySetKey184 {
+  my($This) = @_;
+  my($BondSymbol) = '=';
+
+  return $This->_DetectBondKeys('Br', 'Z', $BondSymbol);
+}
+
+# Generate 322 keyset key 185 value as 1/0 indicating its presence/absence or
+# count of its presence in a molecule.
+#
+# Key 185 description: Si=Si
+#
+sub _Generate322KeySetKey185 {
+  my($This) = @_;
+  my($BondSymbol) = '=';
+
+  return $This->_DetectBondKeys('Si', 'Si', $BondSymbol);
+}
+
+# Generate 322 keyset key 186 value as 1/0 indicating its presence/absence or
+# count of its presence in a molecule.
+#
+# Key 186 description: Si=I
+#
+sub _Generate322KeySetKey186 {
+  my($This) = @_;
+  my($BondSymbol) = '=';
+
+  return $This->_DetectBondKeys('Si', 'I', $BondSymbol);
+}
+
+# Generate 322 keyset key 187 value as 1/0 indicating its presence/absence or
+# count of its presence in a molecule.
+#
+# Key 187 description: Si=X
+#
+sub _Generate322KeySetKey187 {
+  my($This) = @_;
+  my($BondSymbol) = '=';
+
+  return $This->_DetectBondKeys('Si', 'Z', $BondSymbol);
+}
+
+# Generate 322 keyset key 188 value as 1/0 indicating its presence/absence or
+# count of its presence in a molecule.
+#
+# Key 188 description: I=I
+#
+sub _Generate322KeySetKey188 {
+  my($This) = @_;
+  my($BondSymbol) = '=';
+
+  return $This->_DetectBondKeys('I', 'I', $BondSymbol);
+}
+
+# Generate 322 keyset key 189 value as 1/0 indicating its presence/absence or
+# count of its presence in a molecule.
+#
+# Key 189 description: I=X
+#
+sub _Generate322KeySetKey189 {
+  my($This) = @_;
+  my($BondSymbol) = '=';
+
+  return $This->_DetectBondKeys('I', 'Z', $BondSymbol);
+}
+
+# Generate 322 keyset key 190 value as 1/0 indicating its presence/absence or
+# count of its presence in a molecule.
+#
+# Key 190 description: X=X
+#
+sub _Generate322KeySetKey190 {
+  my($This) = @_;
+  my($BondSymbol) = '=';
+
+  return $This->_DetectBondKeys('Z', 'Z', $BondSymbol);
+}
+
+# Generate 322 keyset key 191 value as 1/0 indicating its presence/absence or
+# count of its presence in a molecule.
+#
+# Key 191 description: C#C
+#
+sub _Generate322KeySetKey191 {
+  my($This) = @_;
+  my($BondSymbol) = '#';
+
+  return $This->_DetectBondKeys('C', 'C', $BondSymbol);
+}
+
+# Generate 322 keyset key 192 value as 1/0 indicating its presence/absence or
+# count of its presence in a molecule.
+#
+# Key 192 description: C#N
+#
+sub _Generate322KeySetKey192 {
+  my($This) = @_;
+  my($BondSymbol) = '#';
+
+  return $This->_DetectBondKeys('C', 'N', $BondSymbol);
+}
+
+# Generate 322 keyset key 193 value as 1/0 indicating its presence/absence or
+# count of its presence in a molecule.
+#
+# Key 193 description: C#O
+#
+sub _Generate322KeySetKey193 {
+  my($This) = @_;
+  my($BondSymbol) = '#';
+
+  return $This->_DetectBondKeys('C', 'O', $BondSymbol);
+}
+
+# Generate 322 keyset key 194 value as 1/0 indicating its presence/absence or
+# count of its presence in a molecule.
+#
+# Key 194 description: C#S
+#
+sub _Generate322KeySetKey194 {
+  my($This) = @_;
+  my($BondSymbol) = '#';
+
+  return $This->_DetectBondKeys('C', 'S', $BondSymbol);
+}
+
+# Generate 322 keyset key 195 value as 1/0 indicating its presence/absence or
+# count of its presence in a molecule.
+#
+# Key 195 description: C#Cl
+#
+sub _Generate322KeySetKey195 {
+  my($This) = @_;
+  my($BondSymbol) = '#';
+
+  return $This->_DetectBondKeys('C', 'Cl', $BondSymbol);
+}
+
+# Generate 322 keyset key 196 value as 1/0 indicating its presence/absence or
+# count of its presence in a molecule.
+#
+# Key 196 description: C#P
+#
+sub _Generate322KeySetKey196 {
+  my($This) = @_;
+  my($BondSymbol) = '#';
+
+  return $This->_DetectBondKeys('C', 'P', $BondSymbol);
+}
+
+# Generate 322 keyset key 197 value as 1/0 indicating its presence/absence or
+# count of its presence in a molecule.
+#
+# Key 197 description: C#F
+#
+sub _Generate322KeySetKey197 {
+  my($This) = @_;
+  my($BondSymbol) = '#';
+
+  return $This->_DetectBondKeys('C', 'F', $BondSymbol);
+}
+
+# Generate 322 keyset key 198 value as 1/0 indicating its presence/absence or
+# count of its presence in a molecule.
+#
+# Key 198 description: C#Br
+#
+sub _Generate322KeySetKey198 {
+  my($This) = @_;
+  my($BondSymbol) = '#';
+
+  return $This->_DetectBondKeys('C', 'Br', $BondSymbol);
+}
+
+# Generate 322 keyset key 199 value as 1/0 indicating its presence/absence or
+# count of its presence in a molecule.
+#
+# Key 199 description: C#Si
+#
+sub _Generate322KeySetKey199 {
+  my($This) = @_;
+  my($BondSymbol) = '#';
+
+  return $This->_DetectBondKeys('C', 'Si', $BondSymbol);
+}
+
+# Generate 322 keyset key 200 value as 1/0 indicating its presence/absence or
+# count of its presence in a molecule.
+#
+# Key 200 description: C#I
+#
+sub _Generate322KeySetKey200 {
+  my($This) = @_;
+  my($BondSymbol) = '#';
+
+  return $This->_DetectBondKeys('C', 'I', $BondSymbol);
+}
+
+# Generate 322 keyset key 201 value as 1/0 indicating its presence/absence or
+# count of its presence in a molecule.
+#
+# Key 201 description: C#X
+#
+sub _Generate322KeySetKey201 {
+  my($This) = @_;
+  my($BondSymbol) = '#';
+
+  return $This->_DetectBondKeys('C', 'Z', $BondSymbol);
+}
+
+# Generate 322 keyset key 202 value as 1/0 indicating its presence/absence or
+# count of its presence in a molecule.
+#
+# Key 202 description: N#N
+#
+sub _Generate322KeySetKey202 {
+  my($This) = @_;
+  my($BondSymbol) = '#';
+
+  return $This->_DetectBondKeys('N', 'N', $BondSymbol);
+}
+
+# Generate 322 keyset key 203 value as 1/0 indicating its presence/absence or
+# count of its presence in a molecule.
+#
+# Key 203 description: N#O
+#
+sub _Generate322KeySetKey203 {
+  my($This) = @_;
+  my($BondSymbol) = '#';
+
+  return $This->_DetectBondKeys('N', 'O', $BondSymbol);
+}
+
+# Generate 322 keyset key 204 value as 1/0 indicating its presence/absence or
+# count of its presence in a molecule.
+#
+# Key 204 description: N#S
+#
+sub _Generate322KeySetKey204 {
+  my($This) = @_;
+  my($BondSymbol) = '#';
+
+  return $This->_DetectBondKeys('N', 'S', $BondSymbol);
+}
+
+# Generate 322 keyset key 205 value as 1/0 indicating its presence/absence or
+# count of its presence in a molecule.
+#
+# Key 205 description: N#Cl
+#
+sub _Generate322KeySetKey205 {
+  my($This) = @_;
+  my($BondSymbol) = '#';
+
+  return $This->_DetectBondKeys('N', 'Cl', $BondSymbol);
+}
+
+# Generate 322 keyset key 206 value as 1/0 indicating its presence/absence or
+# count of its presence in a molecule.
+#
+# Key 206 description: N#P
+#
+sub _Generate322KeySetKey206 {
+  my($This) = @_;
+  my($BondSymbol) = '#';
+
+  return $This->_DetectBondKeys('N', 'P', $BondSymbol);
+}
+
+# Generate 322 keyset key 207 value as 1/0 indicating its presence/absence or
+# count of its presence in a molecule.
+#
+# Key 207 description: N#F
+#
+sub _Generate322KeySetKey207 {
+  my($This) = @_;
+  my($BondSymbol) = '#';
+
+  return $This->_DetectBondKeys('N', 'F', $BondSymbol);
+}
+
+# Generate 322 keyset key 208 value as 1/0 indicating its presence/absence or
+# count of its presence in a molecule.
+#
+# Key 208 description: N#Br
+#
+sub _Generate322KeySetKey208 {
+  my($This) = @_;
+  my($BondSymbol) = '#';
+
+  return $This->_DetectBondKeys('N', 'Br', $BondSymbol);
+}
+
+# Generate 322 keyset key 209 value as 1/0 indicating its presence/absence or
+# count of its presence in a molecule.
+#
+# Key 209 description: N#Si
+#
+sub _Generate322KeySetKey209 {
+  my($This) = @_;
+  my($BondSymbol) = '#';
+
+  return $This->_DetectBondKeys('N', 'Si', $BondSymbol);
+}
+
+# Generate 322 keyset key 210 value as 1/0 indicating its presence/absence or
+# count of its presence in a molecule.
+#
+# Key 210 description: N#I
+#
+sub _Generate322KeySetKey210 {
+  my($This) = @_;
+  my($BondSymbol) = '#';
+
+  return $This->_DetectBondKeys('N', 'I', $BondSymbol);
+}
+
+# Generate 322 keyset key 211 value as 1/0 indicating its presence/absence or
+# count of its presence in a molecule.
+#
+# Key 211 description: N#X
+#
+sub _Generate322KeySetKey211 {
+  my($This) = @_;
+  my($BondSymbol) = '#';
+
+  return $This->_DetectBondKeys('N', 'Z', $BondSymbol);
+}
+
+# Generate 322 keyset key 212 value as 1/0 indicating its presence/absence or
+# count of its presence in a molecule.
+#
+# Key 212 description: O#O
+#
+sub _Generate322KeySetKey212 {
+  my($This) = @_;
+  my($BondSymbol) = '#';
+
+  return $This->_DetectBondKeys('O', 'O', $BondSymbol);
+}
+
+# Generate 322 keyset key 213 value as 1/0 indicating its presence/absence or
+# count of its presence in a molecule.
+#
+# Key 213 description: O#S
+#
+sub _Generate322KeySetKey213 {
+  my($This) = @_;
+  my($BondSymbol) = '#';
+
+  return $This->_DetectBondKeys('O', 'S', $BondSymbol);
+}
+
+# Generate 322 keyset key 214 value as 1/0 indicating its presence/absence or
+# count of its presence in a molecule.
+#
+# Key 214 description: O#Cl
+#
+sub _Generate322KeySetKey214 {
+  my($This) = @_;
+  my($BondSymbol) = '#';
+
+  return $This->_DetectBondKeys('O', 'Cl', $BondSymbol);
+}
+
+# Generate 322 keyset key 215 value as 1/0 indicating its presence/absence or
+# count of its presence in a molecule.
+#
+# Key 215 description: O#P
+#
+sub _Generate322KeySetKey215 {
+  my($This) = @_;
+  my($BondSymbol) = '#';
+
+  return $This->_DetectBondKeys('O', 'P', $BondSymbol);
+}
+
+# Generate 322 keyset key 216 value as 1/0 indicating its presence/absence or
+# count of its presence in a molecule.
+#
+# Key 216 description: O#F
+#
+sub _Generate322KeySetKey216 {
+  my($This) = @_;
+  my($BondSymbol) = '#';
+
+  return $This->_DetectBondKeys('O', 'F', $BondSymbol);
+}
+
+# Generate 322 keyset key 217 value as 1/0 indicating its presence/absence or
+# count of its presence in a molecule.
+#
+# Key 217 description: O#Br
+#
+sub _Generate322KeySetKey217 {
+  my($This) = @_;
+  my($BondSymbol) = '#';
+
+  return $This->_DetectBondKeys('O', 'Br', $BondSymbol);
+}
+
+# Generate 322 keyset key 218 value as 1/0 indicating its presence/absence or
+# count of its presence in a molecule.
+#
+# Key 218 description: O#Si
+#
+sub _Generate322KeySetKey218 {
+  my($This) = @_;
+  my($BondSymbol) = '#';
+
+  return $This->_DetectBondKeys('O', 'Si', $BondSymbol);
+}
+
+# Generate 322 keyset key 219 value as 1/0 indicating its presence/absence or
+# count of its presence in a molecule.
+#
+# Key 219 description: O#I
+#
+sub _Generate322KeySetKey219 {
+  my($This) = @_;
+  my($BondSymbol) = '#';
+
+  return $This->_DetectBondKeys('O', 'I', $BondSymbol);
+}
+
+# Generate 322 keyset key 220 value as 1/0 indicating its presence/absence or
+# count of its presence in a molecule.
+#
+# Key 220 description: O#X
+#
+sub _Generate322KeySetKey220 {
+  my($This) = @_;
+  my($BondSymbol) = '#';
+
+  return $This->_DetectBondKeys('O', 'Z', $BondSymbol);
+}
+
+# Generate 322 keyset key 221 value as 1/0 indicating its presence/absence or
+# count of its presence in a molecule.
+#
+# Key 221 description: S#S
+#
+sub _Generate322KeySetKey221 {
+  my($This) = @_;
+  my($BondSymbol) = '#';
+
+  return $This->_DetectBondKeys('S', 'S', $BondSymbol);
+}
+
+# Generate 322 keyset key 222 value as 1/0 indicating its presence/absence or
+# count of its presence in a molecule.
+#
+# Key 222 description: S#Cl
+#
+sub _Generate322KeySetKey222 {
+  my($This) = @_;
+  my($BondSymbol) = '#';
+
+  return $This->_DetectBondKeys('S', 'Cl', $BondSymbol);
+}
+
+# Generate 322 keyset key 223 value as 1/0 indicating its presence/absence or
+# count of its presence in a molecule.
+#
+# Key 223 description: S#P
+#
+sub _Generate322KeySetKey223 {
+  my($This) = @_;
+  my($BondSymbol) = '#';
+
+  return $This->_DetectBondKeys('S', 'P', $BondSymbol);
+}
+
+# Generate 322 keyset key 224 value as 1/0 indicating its presence/absence or
+# count of its presence in a molecule.
+#
+# Key 224 description: S#F
+#
+sub _Generate322KeySetKey224 {
+  my($This) = @_;
+  my($BondSymbol) = '#';
+
+  return $This->_DetectBondKeys('S', 'F', $BondSymbol);
+}
+
+# Generate 322 keyset key 225 value as 1/0 indicating its presence/absence or
+# count of its presence in a molecule.
+#
+# Key 225 description: S#Br
+#
+sub _Generate322KeySetKey225 {
+  my($This) = @_;
+  my($BondSymbol) = '#';
+
+  return $This->_DetectBondKeys('S', 'Br', $BondSymbol);
+}
+
+# Generate 322 keyset key 226 value as 1/0 indicating its presence/absence or
+# count of its presence in a molecule.
+#
+# Key 226 description: S#Si
+#
+sub _Generate322KeySetKey226 {
+  my($This) = @_;
+  my($BondSymbol) = '#';
+
+  return $This->_DetectBondKeys('S', 'Si', $BondSymbol);
+}
+
+# Generate 322 keyset key 227 value as 1/0 indicating its presence/absence or
+# count of its presence in a molecule.
+#
+# Key 227 description: S#I
+#
+sub _Generate322KeySetKey227 {
+  my($This) = @_;
+  my($BondSymbol) = '#';
+
+  return $This->_DetectBondKeys('S', 'I', $BondSymbol);
+}
+
+# Generate 322 keyset key 228 value as 1/0 indicating its presence/absence or
+# count of its presence in a molecule.
+#
+# Key 228 description: S#X
+#
+sub _Generate322KeySetKey228 {
+  my($This) = @_;
+  my($BondSymbol) = '#';
+
+  return $This->_DetectBondKeys('S', 'Z', $BondSymbol);
+}
+
+# Generate 322 keyset key 229 value as 1/0 indicating its presence/absence or
+# count of its presence in a molecule.
+#
+# Key 229 description: Cl#Cl
+#
+sub _Generate322KeySetKey229 {
+  my($This) = @_;
+  my($BondSymbol) = '#';
+
+  return $This->_DetectBondKeys('Cl', 'Cl', $BondSymbol);
+}
+
+# Generate 322 keyset key 230 value as 1/0 indicating its presence/absence or
+# count of its presence in a molecule.
+#
+# Key 230 description: Cl#P
+#
+sub _Generate322KeySetKey230 {
+  my($This) = @_;
+  my($BondSymbol) = '#';
+
+  return $This->_DetectBondKeys('Cl', 'P', $BondSymbol);
+}
+
+# Generate 322 keyset key 231 value as 1/0 indicating its presence/absence or
+# count of its presence in a molecule.
+#
+# Key 231 description: Cl#F
+#
+sub _Generate322KeySetKey231 {
+  my($This) = @_;
+  my($BondSymbol) = '#';
+
+  return $This->_DetectBondKeys('Cl', 'F', $BondSymbol);
+}
+
+# Generate 322 keyset key 232 value as 1/0 indicating its presence/absence or
+# count of its presence in a molecule.
+#
+# Key 232 description: Cl#Br
+#
+sub _Generate322KeySetKey232 {
+  my($This) = @_;
+  my($BondSymbol) = '#';
+
+  return $This->_DetectBondKeys('Cl', 'Br', $BondSymbol);
+}
+
+# Generate 322 keyset key 233 value as 1/0 indicating its presence/absence or
+# count of its presence in a molecule.
+#
+# Key 233 description: Cl#Si
+#
+sub _Generate322KeySetKey233 {
+  my($This) = @_;
+  my($BondSymbol) = '#';
+
+  return $This->_DetectBondKeys('Cl', 'Si', $BondSymbol);
+}
+
+# Generate 322 keyset key 234 value as 1/0 indicating its presence/absence or
+# count of its presence in a molecule.
+#
+# Key 234 description: Cl#I
+#
+sub _Generate322KeySetKey234 {
+  my($This) = @_;
+  my($BondSymbol) = '#';
+
+  return $This->_DetectBondKeys('Cl', 'I', $BondSymbol);
+}
+
+# Generate 322 keyset key 235 value as 1/0 indicating its presence/absence or
+# count of its presence in a molecule.
+#
+# Key 235 description: Cl#X
+#
+sub _Generate322KeySetKey235 {
+  my($This) = @_;
+  my($BondSymbol) = '#';
+
+  return $This->_DetectBondKeys('Cl', 'Z', $BondSymbol);
+}
+
+# Generate 322 keyset key 236 value as 1/0 indicating its presence/absence or
+# count of its presence in a molecule.
+#
+# Key 236 description: P#P
+#
+sub _Generate322KeySetKey236 {
+  my($This) = @_;
+  my($BondSymbol) = '#';
+
+  return $This->_DetectBondKeys('P', 'P', $BondSymbol);
+}
+
+# Generate 322 keyset key 237 value as 1/0 indicating its presence/absence or
+# count of its presence in a molecule.
+#
+# Key 237 description: P#F
+#
+sub _Generate322KeySetKey237 {
+  my($This) = @_;
+  my($BondSymbol) = '#';
+
+  return $This->_DetectBondKeys('P', 'F', $BondSymbol);
+}
+
+# Generate 322 keyset key 238 value as 1/0 indicating its presence/absence or
+# count of its presence in a molecule.
+#
+# Key 238 description: P#Br
+#
+sub _Generate322KeySetKey238 {
+  my($This) = @_;
+  my($BondSymbol) = '#';
+
+  return $This->_DetectBondKeys('P', 'Br', $BondSymbol);
+}
+
+# Generate 322 keyset key 239 value as 1/0 indicating its presence/absence or
+# count of its presence in a molecule.
+#
+# Key 239 description: P#Si
+#
+sub _Generate322KeySetKey239 {
+  my($This) = @_;
+  my($BondSymbol) = '#';
+
+  return $This->_DetectBondKeys('P', 'Si', $BondSymbol);
+}
+
+# Generate 322 keyset key 240 value as 1/0 indicating its presence/absence or
+# count of its presence in a molecule.
+#
+# Key 240 description: P#I
+#
+sub _Generate322KeySetKey240 {
+  my($This) = @_;
+  my($BondSymbol) = '#';
+
+  return $This->_DetectBondKeys('P', 'I', $BondSymbol);
+}
+
+# Generate 322 keyset key 241 value as 1/0 indicating its presence/absence or
+# count of its presence in a molecule.
+#
+# Key 241 description: P#X
+#
+sub _Generate322KeySetKey241 {
+  my($This) = @_;
+  my($BondSymbol) = '#';
+
+  return $This->_DetectBondKeys('P', 'Z', $BondSymbol);
+}
+
+# Generate 322 keyset key 242 value as 1/0 indicating its presence/absence or
+# count of its presence in a molecule.
+#
+# Key 242 description: F#F
+#
+sub _Generate322KeySetKey242 {
+  my($This) = @_;
+  my($BondSymbol) = '#';
+
+  return $This->_DetectBondKeys('F', 'F', $BondSymbol);
+}
+
+# Generate 322 keyset key 243 value as 1/0 indicating its presence/absence or
+# count of its presence in a molecule.
+#
+# Key 243 description: F#Br
+#
+sub _Generate322KeySetKey243 {
+  my($This) = @_;
+  my($BondSymbol) = '#';
+
+  return $This->_DetectBondKeys('F', 'Br', $BondSymbol);
+}
+
+# Generate 322 keyset key 244 value as 1/0 indicating its presence/absence or
+# count of its presence in a molecule.
+#
+# Key 244 description: F#Si
+#
+sub _Generate322KeySetKey244 {
+  my($This) = @_;
+  my($BondSymbol) = '#';
+
+  return $This->_DetectBondKeys('F', 'Si', $BondSymbol);
+}
+
+# Generate 322 keyset key 245 value as 1/0 indicating its presence/absence or
+# count of its presence in a molecule.
+#
+# Key 245 description: F#I
+#
+sub _Generate322KeySetKey245 {
+  my($This) = @_;
+  my($BondSymbol) = '#';
+
+  return $This->_DetectBondKeys('F', 'I', $BondSymbol);
+}
+
+# Generate 322 keyset key 246 value as 1/0 indicating its presence/absence or
+# count of its presence in a molecule.
+#
+# Key 246 description: F#X
+#
+sub _Generate322KeySetKey246 {
+  my($This) = @_;
+  my($BondSymbol) = '#';
+
+  return $This->_DetectBondKeys('F', 'Z', $BondSymbol);
+}
+
+# Generate 322 keyset key 247 value as 1/0 indicating its presence/absence or
+# count of its presence in a molecule.
+#
+# Key 247 description: Br#Br
+#
+sub _Generate322KeySetKey247 {
+  my($This) = @_;
+  my($BondSymbol) = '#';
+
+  return $This->_DetectBondKeys('Br', 'Br', $BondSymbol);
+}
+
+# Generate 322 keyset key 248 value as 1/0 indicating its presence/absence or
+# count of its presence in a molecule.
+#
+# Key 248 description: Br#Si
+#
+sub _Generate322KeySetKey248 {
+  my($This) = @_;
+  my($BondSymbol) = '#';
+
+  return $This->_DetectBondKeys('Br', 'Si', $BondSymbol);
+}
+
+# Generate 322 keyset key 249 value as 1/0 indicating its presence/absence or
+# count of its presence in a molecule.
+#
+# Key 249 description: Br#I
+#
+sub _Generate322KeySetKey249 {
+  my($This) = @_;
+  my($BondSymbol) = '#';
+
+  return $This->_DetectBondKeys('Br', 'I', $BondSymbol);
+}
+
+# Generate 322 keyset key 250 value as 1/0 indicating its presence/absence or
+# count of its presence in a molecule.
+#
+# Key 250 description: Br#X
+#
+sub _Generate322KeySetKey250 {
+  my($This) = @_;
+  my($BondSymbol) = '#';
+
+  return $This->_DetectBondKeys('Br', 'Z', $BondSymbol);
+}
+
+# Generate 322 keyset key 251 value as 1/0 indicating its presence/absence or
+# count of its presence in a molecule.
+#
+# Key 251 description: Si#Si
+#
+sub _Generate322KeySetKey251 {
+  my($This) = @_;
+  my($BondSymbol) = '#';
+
+  return $This->_DetectBondKeys('Si', 'Si', $BondSymbol);
+}
+
+# Generate 322 keyset key 252 value as 1/0 indicating its presence/absence or
+# count of its presence in a molecule.
+#
+# Key 252 description: Si#I
+#
+sub _Generate322KeySetKey252 {
+  my($This) = @_;
+  my($BondSymbol) = '#';
+
+  return $This->_DetectBondKeys('Si', 'I', $BondSymbol);
+}
+
+# Generate 322 keyset key 253 value as 1/0 indicating its presence/absence or
+# count of its presence in a molecule.
+#
+# Key 253 description: Si#X
+#
+sub _Generate322KeySetKey253 {
+  my($This) = @_;
+  my($BondSymbol) = '#';
+
+  return $This->_DetectBondKeys('Si', 'Z', $BondSymbol);
+}
+
+# Generate 322 keyset key 254 value as 1/0 indicating its presence/absence or
+# count of its presence in a molecule.
+#
+# Key 254 description: I#I
+#
+sub _Generate322KeySetKey254 {
+  my($This) = @_;
+  my($BondSymbol) = '#';
+
+  return $This->_DetectBondKeys('I', 'I', $BondSymbol);
+}
+
+# Generate 322 keyset key 255 value as 1/0 indicating its presence/absence or
+# count of its presence in a molecule.
+#
+# Key 255 description: I#X
+#
+sub _Generate322KeySetKey255 {
+  my($This) = @_;
+  my($BondSymbol) = '#';
+
+  return $This->_DetectBondKeys('I', 'Z', $BondSymbol);
+}
+
+# Generate 322 keyset key 256 value as 1/0 indicating its presence/absence or
+# count of its presence in a molecule.
+#
+# Key 256 description: X#X
+#
+sub _Generate322KeySetKey256 {
+  my($This) = @_;
+  my($BondSymbol) = '#';
+
+  return $This->_DetectBondKeys('Z', 'Z', $BondSymbol);
+}
+
+# Generate 322 keyset key 257 value as 1/0 indicating its presence/absence or
+# count of its presence in a molecule.
+#
+# Key 257 description: C$C
+#
+sub _Generate322KeySetKey257 {
+  my($This) = @_;
+  my($BondSymbol) = '$';
+
+  return $This->_DetectBondKeys('C', 'C', $BondSymbol);
+}
+
+# Generate 322 keyset key 258 value as 1/0 indicating its presence/absence or
+# count of its presence in a molecule.
+#
+# Key 258 description: C$N
+#
+sub _Generate322KeySetKey258 {
+  my($This) = @_;
+  my($BondSymbol) = '$';
+
+  return $This->_DetectBondKeys('C', 'N', $BondSymbol);
+}
+
+# Generate 322 keyset key 259 value as 1/0 indicating its presence/absence or
+# count of its presence in a molecule.
+#
+# Key 259 description: C$O
+#
+sub _Generate322KeySetKey259 {
+  my($This) = @_;
+  my($BondSymbol) = '$';
+
+  return $This->_DetectBondKeys('C', 'O', $BondSymbol);
+}
+
+# Generate 322 keyset key 260 value as 1/0 indicating its presence/absence or
+# count of its presence in a molecule.
+#
+# Key 260 description: C$S
+#
+sub _Generate322KeySetKey260 {
+  my($This) = @_;
+  my($BondSymbol) = '$';
+
+  return $This->_DetectBondKeys('C', 'S', $BondSymbol);
+}
+
+# Generate 322 keyset key 261 value as 1/0 indicating its presence/absence or
+# count of its presence in a molecule.
+#
+# Key 261 description: C$Cl
+#
+sub _Generate322KeySetKey261 {
+  my($This) = @_;
+  my($BondSymbol) = '$';
+
+  return $This->_DetectBondKeys('C', 'Cl', $BondSymbol);
+}
+
+# Generate 322 keyset key 262 value as 1/0 indicating its presence/absence or
+# count of its presence in a molecule.
+#
+# Key 262 description: C$P
+#
+sub _Generate322KeySetKey262 {
+  my($This) = @_;
+  my($BondSymbol) = '$';
+
+  return $This->_DetectBondKeys('C', 'P', $BondSymbol);
+}
+
+# Generate 322 keyset key 263 value as 1/0 indicating its presence/absence or
+# count of its presence in a molecule.
+#
+# Key 263 description: C$F
+#
+sub _Generate322KeySetKey263 {
+  my($This) = @_;
+  my($BondSymbol) = '$';
+
+  return $This->_DetectBondKeys('C', 'F', $BondSymbol);
+}
+
+# Generate 322 keyset key 264 value as 1/0 indicating its presence/absence or
+# count of its presence in a molecule.
+#
+# Key 264 description: C$Br
+#
+sub _Generate322KeySetKey264 {
+  my($This) = @_;
+  my($BondSymbol) = '$';
+
+  return $This->_DetectBondKeys('C', 'Br', $BondSymbol);
+}
+
+# Generate 322 keyset key 265 value as 1/0 indicating its presence/absence or
+# count of its presence in a molecule.
+#
+# Key 265 description: C$Si
+#
+sub _Generate322KeySetKey265 {
+  my($This) = @_;
+  my($BondSymbol) = '$';
+
+  return $This->_DetectBondKeys('C', 'Si', $BondSymbol);
+}
+
+# Generate 322 keyset key 266 value as 1/0 indicating its presence/absence or
+# count of its presence in a molecule.
+#
+# Key 266 description: C$I
+#
+sub _Generate322KeySetKey266 {
+  my($This) = @_;
+  my($BondSymbol) = '$';
+
+  return $This->_DetectBondKeys('C', 'I', $BondSymbol);
+}
+
+# Generate 322 keyset key 267 value as 1/0 indicating its presence/absence or
+# count of its presence in a molecule.
+#
+# Key 267 description: C$X
+#
+sub _Generate322KeySetKey267 {
+  my($This) = @_;
+  my($BondSymbol) = '$';
+
+  return $This->_DetectBondKeys('C', 'Z', $BondSymbol);
+}
+
+# Generate 322 keyset key 268 value as 1/0 indicating its presence/absence or
+# count of its presence in a molecule.
+#
+# Key 268 description: N$N
+#
+sub _Generate322KeySetKey268 {
+  my($This) = @_;
+  my($BondSymbol) = '$';
+
+  return $This->_DetectBondKeys('N', 'N', $BondSymbol);
+}
+
+# Generate 322 keyset key 269 value as 1/0 indicating its presence/absence or
+# count of its presence in a molecule.
+#
+# Key 269 description: N$O
+#
+sub _Generate322KeySetKey269 {
+  my($This) = @_;
+  my($BondSymbol) = '$';
+
+  return $This->_DetectBondKeys('N', 'O', $BondSymbol);
+}
+
+# Generate 322 keyset key 270 value as 1/0 indicating its presence/absence or
+# count of its presence in a molecule.
+#
+# Key 270 description: N$S
+#
+sub _Generate322KeySetKey270 {
+  my($This) = @_;
+  my($BondSymbol) = '$';
+
+  return $This->_DetectBondKeys('N', 'S', $BondSymbol);
+}
+
+# Generate 322 keyset key 271 value as 1/0 indicating its presence/absence or
+# count of its presence in a molecule.
+#
+# Key 271 description: N$Cl
+#
+sub _Generate322KeySetKey271 {
+  my($This) = @_;
+  my($BondSymbol) = '$';
+
+  return $This->_DetectBondKeys('N', 'Cl', $BondSymbol);
+}
+
+# Generate 322 keyset key 272 value as 1/0 indicating its presence/absence or
+# count of its presence in a molecule.
+#
+# Key 272 description: N$P
+#
+sub _Generate322KeySetKey272 {
+  my($This) = @_;
+  my($BondSymbol) = '$';
+
+  return $This->_DetectBondKeys('N', 'P', $BondSymbol);
+}
+
+# Generate 322 keyset key 273 value as 1/0 indicating its presence/absence or
+# count of its presence in a molecule.
+#
+# Key 273 description: N$F
+#
+sub _Generate322KeySetKey273 {
+  my($This) = @_;
+  my($BondSymbol) = '$';
+
+  return $This->_DetectBondKeys('N', 'F', $BondSymbol);
+}
+
+# Generate 322 keyset key 274 value as 1/0 indicating its presence/absence or
+# count of its presence in a molecule.
+#
+# Key 274 description: N$Br
+#
+sub _Generate322KeySetKey274 {
+  my($This) = @_;
+  my($BondSymbol) = '$';
+
+  return $This->_DetectBondKeys('N', 'Br', $BondSymbol);
+}
+
+# Generate 322 keyset key 275 value as 1/0 indicating its presence/absence or
+# count of its presence in a molecule.
+#
+# Key 275 description: N$Si
+#
+sub _Generate322KeySetKey275 {
+  my($This) = @_;
+  my($BondSymbol) = '$';
+
+  return $This->_DetectBondKeys('N', 'Si', $BondSymbol);
+}
+
+# Generate 322 keyset key 276 value as 1/0 indicating its presence/absence or
+# count of its presence in a molecule.
+#
+# Key 276 description: N$I
+#
+sub _Generate322KeySetKey276 {
+  my($This) = @_;
+  my($BondSymbol) = '$';
+
+  return $This->_DetectBondKeys('N', 'I', $BondSymbol);
+}
+
+# Generate 322 keyset key 277 value as 1/0 indicating its presence/absence or
+# count of its presence in a molecule.
+#
+# Key 277 description: N$X
+#
+sub _Generate322KeySetKey277 {
+  my($This) = @_;
+  my($BondSymbol) = '$';
+
+  return $This->_DetectBondKeys('N', 'Z', $BondSymbol);
+}
+
+# Generate 322 keyset key 278 value as 1/0 indicating its presence/absence or
+# count of its presence in a molecule.
+#
+# Key 278 description: O$O
+#
+sub _Generate322KeySetKey278 {
+  my($This) = @_;
+  my($BondSymbol) = '$';
+
+  return $This->_DetectBondKeys('O', 'O', $BondSymbol);
+}
+
+# Generate 322 keyset key 279 value as 1/0 indicating its presence/absence or
+# count of its presence in a molecule.
+#
+# Key 279 description: O$S
+#
+sub _Generate322KeySetKey279 {
+  my($This) = @_;
+  my($BondSymbol) = '$';
+
+  return $This->_DetectBondKeys('O', 'S', $BondSymbol);
+}
+
+# Generate 322 keyset key 280 value as 1/0 indicating its presence/absence or
+# count of its presence in a molecule.
+#
+# Key 280 description: O$Cl
+#
+sub _Generate322KeySetKey280 {
+  my($This) = @_;
+  my($BondSymbol) = '$';
+
+  return $This->_DetectBondKeys('O', 'Cl', $BondSymbol);
+}
+
+# Generate 322 keyset key 281 value as 1/0 indicating its presence/absence or
+# count of its presence in a molecule.
+#
+# Key 281 description: O$P
+#
+sub _Generate322KeySetKey281 {
+  my($This) = @_;
+  my($BondSymbol) = '$';
+
+  return $This->_DetectBondKeys('O', 'P', $BondSymbol);
+}
+
+# Generate 322 keyset key 282 value as 1/0 indicating its presence/absence or
+# count of its presence in a molecule.
+#
+# Key 282 description: O$F
+#
+sub _Generate322KeySetKey282 {
+  my($This) = @_;
+  my($BondSymbol) = '$';
+
+  return $This->_DetectBondKeys('O', 'F', $BondSymbol);
+}
+
+# Generate 322 keyset key 283 value as 1/0 indicating its presence/absence or
+# count of its presence in a molecule.
+#
+# Key 283 description: O$Br
+#
+sub _Generate322KeySetKey283 {
+  my($This) = @_;
+  my($BondSymbol) = '$';
+
+  return $This->_DetectBondKeys('O', 'Br', $BondSymbol);
+}
+
+# Generate 322 keyset key 284 value as 1/0 indicating its presence/absence or
+# count of its presence in a molecule.
+#
+# Key 284 description: O$Si
+#
+sub _Generate322KeySetKey284 {
+  my($This) = @_;
+  my($BondSymbol) = '$';
+
+  return $This->_DetectBondKeys('O', 'Si', $BondSymbol);
+}
+
+# Generate 322 keyset key 285 value as 1/0 indicating its presence/absence or
+# count of its presence in a molecule.
+#
+# Key 285 description: O$I
+#
+sub _Generate322KeySetKey285 {
+  my($This) = @_;
+  my($BondSymbol) = '$';
+
+  return $This->_DetectBondKeys('O', 'I', $BondSymbol);
+}
+
+# Generate 322 keyset key 286 value as 1/0 indicating its presence/absence or
+# count of its presence in a molecule.
+#
+# Key 286 description: O$X
+#
+sub _Generate322KeySetKey286 {
+  my($This) = @_;
+  my($BondSymbol) = '$';
+
+  return $This->_DetectBondKeys('O', 'Z', $BondSymbol);
+}
+
+# Generate 322 keyset key 287 value as 1/0 indicating its presence/absence or
+# count of its presence in a molecule.
+#
+# Key 287 description: S$S
+#
+sub _Generate322KeySetKey287 {
+  my($This) = @_;
+  my($BondSymbol) = '$';
+
+  return $This->_DetectBondKeys('S', 'S', $BondSymbol);
+}
+
+# Generate 322 keyset key 288 value as 1/0 indicating its presence/absence or
+# count of its presence in a molecule.
+#
+# Key 288 description: S$Cl
+#
+sub _Generate322KeySetKey288 {
+  my($This) = @_;
+  my($BondSymbol) = '$';
+
+  return $This->_DetectBondKeys('S', 'Cl', $BondSymbol);
+}
+
+# Generate 322 keyset key 289 value as 1/0 indicating its presence/absence or
+# count of its presence in a molecule.
+#
+# Key 289 description: S$P
+#
+sub _Generate322KeySetKey289 {
+  my($This) = @_;
+  my($BondSymbol) = '$';
+
+  return $This->_DetectBondKeys('S', 'P', $BondSymbol);
+}
+
+# Generate 322 keyset key 290 value as 1/0 indicating its presence/absence or
+# count of its presence in a molecule.
+#
+# Key 290 description: S$F
+#
+sub _Generate322KeySetKey290 {
+  my($This) = @_;
+  my($BondSymbol) = '$';
+
+  return $This->_DetectBondKeys('S', 'F', $BondSymbol);
+}
+
+# Generate 322 keyset key 291 value as 1/0 indicating its presence/absence or
+# count of its presence in a molecule.
+#
+# Key 291 description: S$Br
+#
+sub _Generate322KeySetKey291 {
+  my($This) = @_;
+  my($BondSymbol) = '$';
+
+  return $This->_DetectBondKeys('S', 'Br', $BondSymbol);
+}
+
+# Generate 322 keyset key 292 value as 1/0 indicating its presence/absence or
+# count of its presence in a molecule.
+#
+# Key 292 description: S$Si
+#
+sub _Generate322KeySetKey292 {
+  my($This) = @_;
+  my($BondSymbol) = '$';
+
+  return $This->_DetectBondKeys('S', 'Si', $BondSymbol);
+}
+
+# Generate 322 keyset key 293 value as 1/0 indicating its presence/absence or
+# count of its presence in a molecule.
+#
+# Key 293 description: S$I
+#
+sub _Generate322KeySetKey293 {
+  my($This) = @_;
+  my($BondSymbol) = '$';
+
+  return $This->_DetectBondKeys('S', 'I', $BondSymbol);
+}
+
+# Generate 322 keyset key 294 value as 1/0 indicating its presence/absence or
+# count of its presence in a molecule.
+#
+# Key 294 description: S$X
+#
+sub _Generate322KeySetKey294 {
+  my($This) = @_;
+  my($BondSymbol) = '$';
+
+  return $This->_DetectBondKeys('S', 'Z', $BondSymbol);
+}
+
+# Generate 322 keyset key 295 value as 1/0 indicating its presence/absence or
+# count of its presence in a molecule.
+#
+# Key 295 description: Cl$Cl
+#
+sub _Generate322KeySetKey295 {
+  my($This) = @_;
+  my($BondSymbol) = '$';
+
+  return $This->_DetectBondKeys('Cl', 'Cl', $BondSymbol);
+}
+
+# Generate 322 keyset key 296 value as 1/0 indicating its presence/absence or
+# count of its presence in a molecule.
+#
+# Key 296 description: Cl$P
+#
+sub _Generate322KeySetKey296 {
+  my($This) = @_;
+  my($BondSymbol) = '$';
+
+  return $This->_DetectBondKeys('Cl', 'P', $BondSymbol);
+}
+
+# Generate 322 keyset key 297 value as 1/0 indicating its presence/absence or
+# count of its presence in a molecule.
+#
+# Key 297 description: Cl$F
+#
+sub _Generate322KeySetKey297 {
+  my($This) = @_;
+  my($BondSymbol) = '$';
+
+  return $This->_DetectBondKeys('Cl', 'F', $BondSymbol);
+}
+
+# Generate 322 keyset key 298 value as 1/0 indicating its presence/absence or
+# count of its presence in a molecule.
+#
+# Key 298 description: Cl$Br
+#
+sub _Generate322KeySetKey298 {
+  my($This) = @_;
+  my($BondSymbol) = '$';
+
+  return $This->_DetectBondKeys('Cl', 'Br', $BondSymbol);
+}
+
+# Generate 322 keyset key 299 value as 1/0 indicating its presence/absence or
+# count of its presence in a molecule.
+#
+# Key 299 description: Cl$Si
+#
+sub _Generate322KeySetKey299 {
+  my($This) = @_;
+  my($BondSymbol) = '$';
+
+  return $This->_DetectBondKeys('Cl', 'Si', $BondSymbol);
+}
+
+# Generate 322 keyset key 300 value as 1/0 indicating its presence/absence or
+# count of its presence in a molecule.
+#
+# Key 300 description: Cl$I
+#
+sub _Generate322KeySetKey300 {
+  my($This) = @_;
+  my($BondSymbol) = '$';
+
+  return $This->_DetectBondKeys('Cl', 'I', $BondSymbol);
+}
+
+# Generate 322 keyset key 301 value as 1/0 indicating its presence/absence or
+# count of its presence in a molecule.
+#
+# Key 301 description: Cl$X
+#
+sub _Generate322KeySetKey301 {
+  my($This) = @_;
+  my($BondSymbol) = '$';
+
+  return $This->_DetectBondKeys('Cl', 'Z', $BondSymbol);
+}
+
+# Generate 322 keyset key 302 value as 1/0 indicating its presence/absence or
+# count of its presence in a molecule.
+#
+# Key 302 description: P$P
+#
+sub _Generate322KeySetKey302 {
+  my($This) = @_;
+  my($BondSymbol) = '$';
+
+  return $This->_DetectBondKeys('P', 'P', $BondSymbol);
+}
+
+# Generate 322 keyset key 303 value as 1/0 indicating its presence/absence or
+# count of its presence in a molecule.
+#
+# Key 303 description: P$F
+#
+sub _Generate322KeySetKey303 {
+  my($This) = @_;
+  my($BondSymbol) = '$';
+
+  return $This->_DetectBondKeys('P', 'F', $BondSymbol);
+}
+
+# Generate 322 keyset key 304 value as 1/0 indicating its presence/absence or
+# count of its presence in a molecule.
+#
+# Key 304 description: P$Br
+#
+sub _Generate322KeySetKey304 {
+  my($This) = @_;
+  my($BondSymbol) = '$';
+
+  return $This->_DetectBondKeys('P', 'Br', $BondSymbol);
+}
+
+# Generate 322 keyset key 305 value as 1/0 indicating its presence/absence or
+# count of its presence in a molecule.
+#
+# Key 305 description: P$Si
+#
+sub _Generate322KeySetKey305 {
+  my($This) = @_;
+  my($BondSymbol) = '$';
+
+  return $This->_DetectBondKeys('P', 'Si', $BondSymbol);
+}
+
+# Generate 322 keyset key 306 value as 1/0 indicating its presence/absence or
+# count of its presence in a molecule.
+#
+# Key 306 description: P$I
+#
+sub _Generate322KeySetKey306 {
+  my($This) = @_;
+  my($BondSymbol) = '$';
+
+  return $This->_DetectBondKeys('P', 'I', $BondSymbol);
+}
+
+# Generate 322 keyset key 307 value as 1/0 indicating its presence/absence or
+# count of its presence in a molecule.
+#
+# Key 307 description: P$X
+#
+sub _Generate322KeySetKey307 {
+  my($This) = @_;
+  my($BondSymbol) = '$';
+
+  return $This->_DetectBondKeys('P', 'Z', $BondSymbol);
+}
+
+# Generate 322 keyset key 308 value as 1/0 indicating its presence/absence or
+# count of its presence in a molecule.
+#
+# Key 308 description: F$F
+#
+sub _Generate322KeySetKey308 {
+  my($This) = @_;
+  my($BondSymbol) = '$';
+
+  return $This->_DetectBondKeys('F', 'F', $BondSymbol);
+}
+
+# Generate 322 keyset key 309 value as 1/0 indicating its presence/absence or
+# count of its presence in a molecule.
+#
+# Key 309 description: F$Br
+#
+sub _Generate322KeySetKey309 {
+  my($This) = @_;
+  my($BondSymbol) = '$';
+
+  return $This->_DetectBondKeys('F', 'Br', $BondSymbol);
+}
+
+# Generate 322 keyset key 310 value as 1/0 indicating its presence/absence or
+# count of its presence in a molecule.
+#
+# Key 310 description: F$Si
+#
+sub _Generate322KeySetKey310 {
+  my($This) = @_;
+  my($BondSymbol) = '$';
+
+  return $This->_DetectBondKeys('F', 'Si', $BondSymbol);
+}
+
+# Generate 322 keyset key 311 value as 1/0 indicating its presence/absence or
+# count of its presence in a molecule.
+#
+# Key 311 description: F$I
+#
+sub _Generate322KeySetKey311 {
+  my($This) = @_;
+  my($BondSymbol) = '$';
+
+  return $This->_DetectBondKeys('F', 'I', $BondSymbol);
+}
+
+# Generate 322 keyset key 312 value as 1/0 indicating its presence/absence or
+# count of its presence in a molecule.
+#
+# Key 312 description: F$X
+#
+sub _Generate322KeySetKey312 {
+  my($This) = @_;
+  my($BondSymbol) = '$';
+
+  return $This->_DetectBondKeys('F', 'Z', $BondSymbol);
+}
+
+# Generate 322 keyset key 313 value as 1/0 indicating its presence/absence or
+# count of its presence in a molecule.
+#
+# Key 313 description: Br$Br
+#
+sub _Generate322KeySetKey313 {
+  my($This) = @_;
+  my($BondSymbol) = '$';
+
+  return $This->_DetectBondKeys('Br', 'Br', $BondSymbol);
+}
+
+# Generate 322 keyset key 314 value as 1/0 indicating its presence/absence or
+# count of its presence in a molecule.
+#
+# Key 314 description: Br$Si
+#
+sub _Generate322KeySetKey314 {
+  my($This) = @_;
+  my($BondSymbol) = '$';
+
+  return $This->_DetectBondKeys('Br', 'Si', $BondSymbol);
+}
+
+# Generate 322 keyset key 315 value as 1/0 indicating its presence/absence or
+# count of its presence in a molecule.
+#
+# Key 315 description: Br$I
+#
+sub _Generate322KeySetKey315 {
+  my($This) = @_;
+  my($BondSymbol) = '$';
+
+  return $This->_DetectBondKeys('Br', 'I', $BondSymbol);
+}
+
+# Generate 322 keyset key 316 value as 1/0 indicating its presence/absence or
+# count of its presence in a molecule.
+#
+# Key 316 description: Br$X
+#
+sub _Generate322KeySetKey316 {
+  my($This) = @_;
+  my($BondSymbol) = '$';
+
+  return $This->_DetectBondKeys('Br', 'Z', $BondSymbol);
+}
+
+# Generate 322 keyset key 317 value as 1/0 indicating its presence/absence or
+# count of its presence in a molecule.
+#
+# Key 317 description: Si$Si
+#
+sub _Generate322KeySetKey317 {
+  my($This) = @_;
+  my($BondSymbol) = '$';
+
+  return $This->_DetectBondKeys('Si', 'Si', $BondSymbol);
+}
+
+# Generate 322 keyset key 318 value as 1/0 indicating its presence/absence or
+# count of its presence in a molecule.
+#
+# Key 318 description: Si$I
+#
+sub _Generate322KeySetKey318 {
+  my($This) = @_;
+  my($BondSymbol) = '$';
+
+  return $This->_DetectBondKeys('Si', 'I', $BondSymbol);
+}
+
+# Generate 322 keyset key 319 value as 1/0 indicating its presence/absence or
+# count of its presence in a molecule.
+#
+# Key 319 description: Si$X
+#
+sub _Generate322KeySetKey319 {
+  my($This) = @_;
+  my($BondSymbol) = '$';
+
+  return $This->_DetectBondKeys('Si', 'Z', $BondSymbol);
+}
+
+# Generate 322 keyset key 320 value as 1/0 indicating its presence/absence or
+# count of its presence in a molecule.
+#
+# Key 320 description: I$I
+#
+sub _Generate322KeySetKey320 {
+  my($This) = @_;
+  my($BondSymbol) = '$';
+
+  return $This->_DetectBondKeys('I', 'I', $BondSymbol);
+}
+
+# Generate 322 keyset key 321 value as 1/0 indicating its presence/absence or
+# count of its presence in a molecule.
+#
+# Key 321 description: I$X
+#
+sub _Generate322KeySetKey321 {
+  my($This) = @_;
+  my($BondSymbol) = '$';
+
+  return $This->_DetectBondKeys('I', 'Z', $BondSymbol);
+}
+
+# Generate 322 keyset key 322 value as 1/0 indicating its presence/absence or
+# count of its presence in a molecule.
+#
+# Key 322 description: X$X
+#
+sub _Generate322KeySetKey322 {
+  my($This) = @_;
+  my($BondSymbol) = '$';
+
+  return $This->_DetectBondKeys('Z', 'Z', $BondSymbol);
+}
+
+# A : Any valid perodic table elemnet symbol
+sub _IsAtom {
+  my($This, $Atom) = @_;
+
+  return $Atom->GetAtomicNumber() ? 1 : 0;
+}
+
+# Q  : Hetro atoms; any non-C or non-H atom
+sub _IsHeteroAtom {
+  my($This, $Atom) = @_;
+
+  return ($Atom->GetAtomicNumber() =~ /^(1|6)$/) ? 0 : 1;
+}
+
+# X  : Halogens; F, Cl, Br, I
+sub _IsHalogenAtom {
+  my($This, $Atom) = @_;
+
+  return ($Atom->GetAtomicNumber() =~ /^(9|17|35|53)$/) ? 1 : 0;
+}
+
+# Z  : Others; other than H, C, N, O, Si, P, S, F, Cl, Br, I
+sub _IsOtherAtom {
+  my($This, $Atom) = @_;
+
+  return ($Atom->GetAtomicNumber() =~ /^(1|6|7|8|9|14|15|16|17|35|53)$/) ? 0 : 1;
+}
+
+# Detect atom keys like Cl, Br and so on...
+#
+sub _DetectAtomKeys {
+  my($This, $AtomSymbol, $MinKeyCount, $IsInRing, $MinHydrogenCount) = @_;
+  my($Atom, $KeyValue);
+
+  $KeyValue = 0;
+  ATOM: for $Atom (@{$This->{Atoms}}) {
+    if (!$This->_DoesAtomMatchesSymbol($Atom, $AtomSymbol)) {
+      next ATOM;
+    }
+    if (defined($IsInRing) && $IsInRing && !$Atom->IsInRing()) {
+      next ATOM;
+    }
+    if (defined $MinHydrogenCount) {
+      if (!$This->_DoesAtomMinHydrogenCountMatch($Atom, $MinHydrogenCount)) {
+	next ATOM;
+      }
+    }
+    $KeyValue++;
+    if (defined($MinKeyCount) && $KeyValue < $MinKeyCount) {
+      next ATOM;
+    }
+    if ($This->{KeyBits}) {
+      $KeyValue = 1;
+      last ATOM;
+    }
+  }
+  return $KeyValue;
+}
+
+# Detect bond keys like S-S, N-O and so on...
+#
+sub _DetectBondKeys {
+  my($This, $AtomSymbol1, $AtomSymbol2, $BondSymbol, $MinKeyCount, $Atom1MinHydrogenCount, $Atom2MinHydrogenCount) = @_;
+  my($Atom1, $Atom2, $Bond, $KeyValue, $MatchSpecifiedAtomOrder);
+
+  $MatchSpecifiedAtomOrder = 0;
+
+  $KeyValue = 0;
+  BOND: for $Bond (@{$This->{Bonds}}) {
+    ($Atom1, $Atom2) = $Bond->GetAtoms();
+    if (!$This->_DoBondAtomsMatchBondSymbols($Atom1, $Atom2, $AtomSymbol1, $AtomSymbol2, $BondSymbol, $MatchSpecifiedAtomOrder, $Atom1MinHydrogenCount, $Atom2MinHydrogenCount)) {
+      next BOND;
+    }
+    $KeyValue++;
+    if (defined($MinKeyCount) && $KeyValue < $MinKeyCount) {
+      next BOND;
+    }
+    if ($This->{KeyBits}) {
+      $KeyValue = 1;
+      last BOND;
+    }
+  }
+  return $KeyValue;
+}
+
+# Detect atom neighborhood keys like ON(C)C, OC(O)O and so on.
+#
+sub _DetectAtomNeighborhoodKeys {
+  my($This, $CentralAtomSymbol, $NbrAtomSymbolsRef, $NbrBondSymbolsRef, $MinKeyCount, $CentralAtomMinHydrogenCount, $NbrAtomMinHydrogenCountRef) = @_;
+  my($KeyValue, $CentralAtom);
+
+  $KeyValue = 0;
+
+  CENTRALATOM: for $CentralAtom (@{$This->{Atoms}}) {
+    if (!$This->_DoesAtomNeighborhoodMatch($CentralAtom, $CentralAtomSymbol, $NbrAtomSymbolsRef, $NbrBondSymbolsRef, $CentralAtomMinHydrogenCount, $NbrAtomMinHydrogenCountRef)) {
+      next CENTRALATOM;
+    }
+    $KeyValue++;
+    if (defined($MinKeyCount) && $KeyValue < $MinKeyCount) {
+      next CENTRALATOM;
+    }
+    if ($This->{KeyBits}) {
+      $KeyValue = 1;
+      last CENTRALATOM;
+    }
+  }
+  return $KeyValue;
+}
+
+# Detect bond neighborhood keys like A%Anot%A%A and so on.
+#
+sub _DetectBondNeighborhoodKeys {
+  my($This, $BondAtomSymbol1, $BondAtomSymbol2, $BondSymbol, $NbrAtomSymbolsRef, $NbrBondSymbolsRef, $MinKeyCount, $BondAtomMinHydrogenCountRef, $NbrsMinHydrogenCountRef) = @_;
+  my($BondAtomIndex, $BondAtom1, $BondAtom2, $MatchedBondAtom1, $MatchedBondAtom2, $BondAtom, $Bond, $KeyValue, $BondAtomSymbol, $MatchSpecifiedAtomOrder, $BondAtom1MinHydrogenCount, $BondAtom2MinHydrogenCount, $MinHydrogenCount, @NbrsToExcludeFromMatch, @NbrAtomSymbols, @NbrBondSymbols, @NbrMinHydrogenCount, );
+
+  $MatchSpecifiedAtomOrder = 1;
+  ($BondAtom1MinHydrogenCount, $BondAtom2MinHydrogenCount) = defined($BondAtomMinHydrogenCountRef) ? ( @{$BondAtomMinHydrogenCountRef} ) : (undef, undef);
+
+  $KeyValue = 0;
+  BOND: for $Bond (@{$This->{Bonds}}) {
+    ($BondAtom1, $BondAtom2) = $Bond->GetAtoms();
+
+    # Match bond first...
+    if ($This->_DoBondAtomsMatchBondSymbols($BondAtom1, $BondAtom2, $BondAtomSymbol1, $BondAtomSymbol2, $BondSymbol, $MatchSpecifiedAtomOrder, $BondAtom1MinHydrogenCount, $BondAtom2MinHydrogenCount)) {
+      ($MatchedBondAtom1, $MatchedBondAtom2) = ($BondAtom1, $BondAtom2);
+    }
+    elsif ($This->_DoBondAtomsMatchBondSymbols($BondAtom2, $BondAtom1, $BondAtomSymbol1, $BondAtomSymbol2, $BondSymbol, $MatchSpecifiedAtomOrder, $BondAtom1MinHydrogenCount, $BondAtom2MinHydrogenCount)) {
+      ($MatchedBondAtom1, $MatchedBondAtom2) = ($BondAtom2, $BondAtom1);
+    }
+    else {
+      next BOND;
+    }
+    # Match neighbors of bonded atoms...
+    for $BondAtomIndex (0 .. 1) {
+      $MinHydrogenCount = undef;
+      @NbrsToExcludeFromMatch = ();
+
+      if ($BondAtomIndex == 0) {
+	$BondAtom = $MatchedBondAtom1;
+	$BondAtomSymbol = $BondAtomSymbol1;
+	push @NbrsToExcludeFromMatch, $MatchedBondAtom2;
+      }
+      elsif ($BondAtomIndex == 1) {
+	$BondAtom = $MatchedBondAtom2;
+	$BondAtomSymbol = $BondAtomSymbol2;
+	push @NbrsToExcludeFromMatch, $MatchedBondAtom1;
+      }
+
+      @NbrAtomSymbols = (defined($NbrAtomSymbolsRef) && defined($NbrAtomSymbolsRef->[$BondAtomIndex])) ? @{$NbrAtomSymbolsRef->[$BondAtomIndex]} : ();
+      @NbrBondSymbols = (defined($NbrBondSymbolsRef) && defined($NbrBondSymbolsRef->[$BondAtomIndex]) ) ? @{$NbrBondSymbolsRef->[$BondAtomIndex]} : ();
+      @NbrMinHydrogenCount = (defined($NbrsMinHydrogenCountRef) && defined($NbrsMinHydrogenCountRef->[$BondAtomIndex]) ) ? @{$NbrsMinHydrogenCountRef->[$BondAtomIndex]} : ();
+      if (!$This->_DoesAtomNeighborhoodMatch($BondAtom, $BondAtomSymbol, \@NbrAtomSymbols, \@NbrBondSymbols, $MinHydrogenCount, \@NbrMinHydrogenCount, \@NbrsToExcludeFromMatch)) {
+	next BOND;
+      }
+    }
+    $KeyValue++;
+    if (defined($MinKeyCount) && $KeyValue < $MinKeyCount) {
+      next BOND;
+    }
+    if ($This->{KeyBits}) {
+      $KeyValue = 1;
+      last BOND;
+    }
+  }
+  return $KeyValue;
+}
+
+# Detect extended atom neighborhood keys like QHAQH, QHAAQH, and so on...
+#
+sub _DetectExtendedAtomNeighborhoodKeys {
+  my($This, $CentralAtomsSymbolsRef, $CentralAtomsBondSymbolsRef, $CentralAtomsMinHydrogenCountRef, $MinKeyCount, $NbrAtomSymbolsRef, $NbrBondSymbolsRef, $NbrsMinHydrogenCountRef) = @_;
+  my($KeyValue, $Molecule, $FirstCentralAtomIndex, $LastCentralAtomIndex, $NumOfCentralAtoms);
+
+  $KeyValue = 0;
+
+  $Molecule = $This->GetMolecule();
+  $NumOfCentralAtoms = @{$CentralAtomsSymbolsRef};
+  $FirstCentralAtomIndex = 0;
+  $LastCentralAtomIndex = $NumOfCentralAtoms - 1;
+
+  # Retrieve first central atom information...
+  my($FirstCentralAtomSymbol, $FirstCentralAtomMinHydrogenCount);
+  $FirstCentralAtomSymbol = $CentralAtomsSymbolsRef->[$FirstCentralAtomIndex];
+  $FirstCentralAtomMinHydrogenCount = defined($CentralAtomsMinHydrogenCountRef) ? $CentralAtomsMinHydrogenCountRef->[$FirstCentralAtomIndex] : undef;
+
+  # Retrieve last central atom information...
+  my($LastCentralAtomSymbol, $LastCentralAtomMinHydrogenCount);
+  $LastCentralAtomSymbol = $CentralAtomsSymbolsRef->[$LastCentralAtomIndex];
+  $LastCentralAtomMinHydrogenCount = defined($CentralAtomsMinHydrogenCountRef) ? $CentralAtomsMinHydrogenCountRef->[$LastCentralAtomIndex] : undef;
+
+  my($Atom, $AtomPathRef, $AtomPathsRef, $FirstAtomIndex, $LastAtomIndex, $AtomIndex, $FirstPathAtom, $LastPathAtom, $FirstPathAtomID, $LastPathAtomID, $DetectedPathID, $PathAtom, $NextPathAtom, $PreviousPathAtom, $AtomSymbol, $NextAtomSymbol, $BondSymbol, $MatchSpecifiedAtomOrder, $MinHydrogenCount, @NbrsToExcludeFromMatch, @NbrAtomSymbols, @NbrBondSymbols, @NbrMinHydrogenCount, %AlreadyDetectedPaths);
+
+  # Go over all the atoms...
+  #
+  ATOM: for $Atom (@{$This->{Atoms}}) {
+    # Match first central atom...
+    if (!$This->_DoesAtomNeighborhoodMatch($Atom, $FirstCentralAtomSymbol, undef, undef, $FirstCentralAtomMinHydrogenCount, undef)) {
+      next ATOM;
+    }
+    # Get atom paths starting from matched central atom with length equal to NumOfCentralAtoms...
+    #
+    $AtomPathsRef = $Molecule->GetAllAtomPathsStartingAtWithLength($Atom, $NumOfCentralAtoms);
+    if (!(defined($AtomPathsRef) && @{$AtomPathsRef})) {
+      next ATOM;
+    }
+    ATOMPATH: for $AtomPathRef (@{$AtomPathsRef}) {
+      $FirstAtomIndex = 0;
+      $FirstPathAtom = $AtomPathRef->[$FirstAtomIndex];
+      $LastAtomIndex = @{$AtomPathRef} - 1;
+      $LastPathAtom = $AtomPathRef->[$LastAtomIndex];
+
+      # Match last central atom to the last atom in path...
+      if (!$This->_DoesAtomNeighborhoodMatch($LastPathAtom, $LastCentralAtomSymbol, undef, undef, $LastCentralAtomMinHydrogenCount, undef)) {
+	next ATOMPATH;
+      }
+
+      # Match other path atoms with central atoms..
+      for $AtomIndex ($FirstAtomIndex .. $LastAtomIndex) {
+	$PathAtom = $AtomPathRef->[$AtomIndex];
+	$AtomSymbol = $CentralAtomsSymbolsRef->[$AtomIndex];
+	$MinHydrogenCount = defined($CentralAtomsMinHydrogenCountRef) ? $CentralAtomsMinHydrogenCountRef->[$AtomIndex] : undef;
+
+	@NbrsToExcludeFromMatch = ();
+	if ($AtomIndex == $FirstAtomIndex) {
+	  $NextPathAtom = $AtomPathRef->[$AtomIndex + 1]; $PreviousPathAtom = undef;
+	  push @NbrsToExcludeFromMatch, $NextPathAtom;
+	}
+	elsif ($AtomIndex == $LastAtomIndex) {
+	  $NextPathAtom = undef; $PreviousPathAtom = $AtomPathRef->[$AtomIndex - 1];
+	  push @NbrsToExcludeFromMatch, $PreviousPathAtom;
+	}
+	else {
+	  $NextPathAtom = $AtomPathRef->[$AtomIndex + 1]; $PreviousPathAtom = $AtomPathRef->[$AtomIndex - 1];
+	  push @NbrsToExcludeFromMatch, ($PreviousPathAtom, $NextPathAtom);
+	}
+
+	@NbrAtomSymbols = (defined($NbrAtomSymbolsRef) && defined($NbrAtomSymbolsRef->[$AtomIndex])) ? @{$NbrAtomSymbolsRef->[$AtomIndex]} : ();
+	@NbrBondSymbols = (defined($NbrBondSymbolsRef) && defined($NbrBondSymbolsRef->[$AtomIndex]) ) ? @{$NbrBondSymbolsRef->[$AtomIndex]} : ();
+	@NbrMinHydrogenCount = (defined($NbrsMinHydrogenCountRef) && defined($NbrsMinHydrogenCountRef->[$AtomIndex]) ) ? @{$NbrsMinHydrogenCountRef->[$AtomIndex]} : ();
+
+	if (!$This->_DoesAtomNeighborhoodMatch($PathAtom, $AtomSymbol, \@NbrAtomSymbols, \@NbrBondSymbols, $MinHydrogenCount, \@NbrMinHydrogenCount, \@NbrsToExcludeFromMatch)) {
+	  next ATOMPATH;
+	}
+	# Match path bond symbols...
+	if (defined($CentralAtomsBondSymbolsRef) && ($AtomIndex < $LastAtomIndex)) {
+	  $NextAtomSymbol = $CentralAtomsSymbolsRef->[$AtomIndex + 1];
+	  $BondSymbol = $CentralAtomsBondSymbolsRef->[$AtomIndex];
+	  $MatchSpecifiedAtomOrder = 1;
+	  if (!$This->_DoBondAtomsMatchBondSymbols($PathAtom, $NextPathAtom, $AtomSymbol, $NextAtomSymbol, $BondSymbol, $MatchSpecifiedAtomOrder)) {
+	    next ATOMPATH;
+	  }
+	}
+      }
+      # Keep track of the first and last atom ID in the matched path to avoid double counting of paths...
+      if (defined($MinKeyCount) || !$This->{KeyBits}) {
+	$FirstPathAtomID = $FirstPathAtom->GetID(); $LastPathAtomID = $LastPathAtom->GetID();
+	$DetectedPathID = ($FirstPathAtomID < $LastPathAtomID) ? "${FirstPathAtomID}-${LastPathAtomID}" : "${LastPathAtomID}-${FirstPathAtomID}";
+	if (exists $AlreadyDetectedPaths{$DetectedPathID}) {
+	  $AlreadyDetectedPaths{$DetectedPathID} += 1;
+	  next ATOMPATH;
+	}
+	$AlreadyDetectedPaths{$DetectedPathID} = 1;
+      }
+
+      $KeyValue++;
+      if (defined($MinKeyCount) && $KeyValue < $MinKeyCount) {
+	next ATOMPATH;
+      }
+      if ($This->{KeyBits}) {
+	$KeyValue = 1;
+	last ATOM;
+      }
+    }
+  }
+  return $KeyValue;
+}
+
+# Go over the atoms attached to central atom and match 'em against specified
+# neighborhood atom symbol and bond symbols...
+#
+sub _DoesAtomNeighborhoodMatch {
+  my($This, $CentralAtom, $CentralAtomSymbol, $NbrAtomSymbolsRef, $NbrBondSymbolsRef, $CentralAtomMinHydrogenCount, $NbrAtomMinHydrogenCountRef, $NbrsToExcludeRef) = @_;
+
+  # Match central atom first...
+  if (!$This->_DoesAtomMatchesSymbol($CentralAtom, $CentralAtomSymbol)) {
+    return 0;
+  }
+  if (defined $CentralAtomMinHydrogenCount) {
+    if (!$This->_DoesAtomMinHydrogenCountMatch($CentralAtom, $CentralAtomMinHydrogenCount)) {
+      return 0;
+    }
+  }
+  if (!defined $NbrAtomSymbolsRef) {
+    # No neighbors to match...
+    return 1;
+  }
+
+  # Match neighbors...
+  my($NbrAtom, $Index, $NbrAtomSymbol, $NbrBondSymbol, $NbrAtomMinHydrogenCount, $NbrAtomMatchCount, $MinNbrAtomMatchCount, $MatchSpecifiedAtomOrder, @CentralAtomNeighbors, %NbrAtomAlreadyMatchedMap);
+
+  $MinNbrAtomMatchCount = @$NbrAtomSymbolsRef;
+  if (!$MinNbrAtomMatchCount) {
+    # No neighbors to match...
+    return 1;
+  }
+
+  $NbrAtomMatchCount = 0;
+
+  %NbrAtomAlreadyMatchedMap = ();
+  $MatchSpecifiedAtomOrder = 1;
+
+  @CentralAtomNeighbors = ();
+  if (defined($NbrsToExcludeRef) && @{$NbrsToExcludeRef}) {
+    push @CentralAtomNeighbors, $CentralAtom->GetNeighbors(@{$NbrsToExcludeRef});
+  }
+  else {
+    push @CentralAtomNeighbors, $CentralAtom->GetNeighbors();
+  }
+
+  NBRATOM: for $NbrAtom (@CentralAtomNeighbors) {
+    NBRATOMSYMBOL: for $Index (0 .. ($MinNbrAtomMatchCount - 1)) {
+      if (exists $NbrAtomAlreadyMatchedMap{$Index}) {
+	next NBRATOMSYMBOL;
+      }
+      $NbrAtomSymbol = $NbrAtomSymbolsRef->[$Index];
+      $NbrBondSymbol = $NbrBondSymbolsRef->[$Index];
+      if (!$This->_DoBondAtomsMatchBondSymbols($CentralAtom, $NbrAtom, $CentralAtomSymbol, $NbrAtomSymbol, $NbrBondSymbol, $MatchSpecifiedAtomOrder)) {
+	next NBRATOMSYMBOL;
+      }
+
+      if (defined($NbrAtomMinHydrogenCountRef) && $NbrAtomMinHydrogenCountRef->[$Index]) {
+	$NbrAtomMinHydrogenCount = $NbrAtomMinHydrogenCountRef->[$Index];
+	if (!$This->_DoesAtomMinHydrogenCountMatch($NbrAtom, $NbrAtomMinHydrogenCount)) {
+	  next NBRATOMSYMBOL;
+	}
+      }
+      $NbrAtomAlreadyMatchedMap{$Index} = $Index;
+      $NbrAtomMatchCount++;
+
+      if ($NbrAtomMatchCount == $MinNbrAtomMatchCount) {
+	last NBRATOM;
+      }
+      next NBRATOM;
+    }
+  }
+
+  return ($NbrAtomMatchCount == $MinNbrAtomMatchCount) ? 1 : 0;
+}
+
+# Checks whether bond atoms match bond symbols...
+#
+sub _DoBondAtomsMatchBondSymbols {
+  my($This, $Atom1, $Atom2, $AtomSymbol1, $AtomSymbol2, $BondSymbol, $MatchSpecifiedAtomOrder, $Atom1MinHydrogenCount, $Atom2MinHydrogenCount) = @_;
+  my($Status, $ReverseMinHydrogenCountMatch);
+
+  $ReverseMinHydrogenCountMatch = 0;
+
+  if (defined($MatchSpecifiedAtomOrder) && $MatchSpecifiedAtomOrder) {
+    if (!($This->_DoesAtomMatchesSymbol($Atom1, $AtomSymbol1) && $This->_DoesAtomMatchesSymbol($Atom2, $AtomSymbol2))) {
+      return 0;
+    }
+  }
+  else {
+    if ($This->_DoesAtomMatchesSymbol($Atom1, $AtomSymbol1) && $This->_DoesAtomMatchesSymbol($Atom2, $AtomSymbol2)) {
+      $ReverseMinHydrogenCountMatch = 0;
+    }
+    elsif ($This->_DoesAtomMatchesSymbol($Atom1, $AtomSymbol2) && $This->_DoesAtomMatchesSymbol($Atom2, $AtomSymbol1)) {
+      $ReverseMinHydrogenCountMatch = 1;
+    }
+    else {
+      return 0;
+    }
+  }
+
+  # Match any hydrogen count...
+  if (defined($Atom1MinHydrogenCount) || defined($Atom2MinHydrogenCount)) {
+    my($MinHydrogenCountMatchAtom1, $MinHydrogenCountMatchAtom2);
+
+    ($MinHydrogenCountMatchAtom1, $MinHydrogenCountMatchAtom2) = $ReverseMinHydrogenCountMatch ? ($Atom2, $Atom1) : ($Atom1, $Atom2);
+    if (defined $Atom1MinHydrogenCount ) {
+      if (!$This->_DoesAtomMinHydrogenCountMatch($MinHydrogenCountMatchAtom1, $Atom1MinHydrogenCount)) {
+	return 0;
+      }
+    }
+    if (defined $Atom2MinHydrogenCount ) {
+      if (!$This->_DoesAtomMinHydrogenCountMatch($MinHydrogenCountMatchAtom2, $Atom2MinHydrogenCount)) {
+	return 0;
+      }
+    }
+  }
+
+  if (defined($BondSymbol) && $BondSymbol) {
+    my($Bond);
+    $Bond = $Atom1->GetBondToAtom($Atom2);
+    if (!$This->_DoesBondMatchesSymbol($Bond, $BondSymbol)) {
+      return 0;
+    }
+  }
+  return 1;
+}
+
+# Match both implicit and explicit hydrogens on central atom...
+sub _DoesAtomMinHydrogenCountMatch {
+  my($This, $Atom, $MinHydrogenCount) = @_;
+
+  if (!(defined($MinHydrogenCount) && $MinHydrogenCount)) {
+    return 0;
+  }
+  return ($Atom->GetNumOfHydrogens() <  $MinHydrogenCount) ? 0 : 1;
+}
+
+# Checks whether atom matches supported symbol...
+#
+sub _DoesAtomMatchesSymbol {
+  my($This, $Atom, $Symbol) = @_;
+  my($Status);
+
+  $Status = 0;
+  SYMBOL: {
+    if ($Symbol =~ /^Q$/i) { $Status = $This->_IsHeteroAtom($Atom) ? 1 : 0; last SYMBOL; }
+    if ($Symbol =~ /^X$/i) { $Status = $This->_IsHalogenAtom($Atom) ? 1 : 0; last SYMBOL; }
+    if ($Symbol =~ /^Z$/i) { $Status = $This->_IsOtherAtom($Atom) ? 1 : 0; last SYMBOL; }
+    if ($Symbol =~ /^A$/i) { $Status = $This->_IsAtom($Atom) ? 1 : 0; last SYMBOL; }
+    $Status = ($Atom->GetAtomSymbol() =~ /^$Symbol$/i) ? 1 : 0;
+  }
+  return $Status;
+}
+
+# Checks whether bond matches supported symbol...
+#
+sub _DoesBondMatchesSymbol {
+  my($This, $Bond, $Symbol) = @_;
+  my($Status, $BondOrder);
+
+  $Status = 0;
+  SYMBOL: {
+    if ($Symbol =~ /^(1|-)$/i) { $Status = $Bond->IsSingle() ? 1 : 0; last SYMBOL; }
+    if ($Symbol =~ /^(2|=)$/i) { $Status = $Bond->IsDouble() ? 1 : 0; last SYMBOL; }
+    if ($Symbol =~ /^(3|#|T)$/i) { $Status = $Bond->IsTriple() ? 1 : 0; last SYMBOL; }
+    if ($Symbol =~ /^(1.5|%)$/i) { $Status = $Bond->IsAromatic() ? 1 : 0; last SYMBOL; }
+
+    if ($Symbol =~ /^\~$/i) { $Status = ($Bond->IsSingle() || $Bond->IsDouble()) ? 1 : 0; last SYMBOL; }
+
+    if ($Symbol =~ /^\$$/i) { $Status = $Bond->IsInRing() ? 1 : 0; last SYMBOL; }
+    if ($Symbol =~ /^\!$/i) { $Status = $Bond->IsInRing() ? 0 : 1; last SYMBOL; }
+
+    if ($Symbol =~ /^(\$-)$/i) { $Status = ($Bond->IsInRing() && $Bond->IsSingle()) ? 1 : 0; last SYMBOL; }
+    if ($Symbol =~ /^(\$=)$/i) { $Status = ($Bond->IsInRing() && $Bond->IsDouble()) ? 1 : 0; last SYMBOL; }
+    if ($Symbol =~ /^(\$#|\$T)$/i) { $Status = ($Bond->IsInRing() && $Bond->IsTriple()) ? 1 : 0; last SYMBOL; }
+
+    if ($Symbol =~ /^(not%)$/i) { $Status = $Bond->IsAromatic() ? 0 : 1; last SYMBOL; }
+    if ($Symbol =~ /^(not%not-)$/i) { $Status = $Bond->IsAromatic() ? 0 : ($Bond->IsSingle() ? 0 : 1); last SYMBOL; }
+    if ($Symbol =~ /^(not%not=)$/i) { $Status = $Bond->IsAromatic() ? 0 : ($Bond->IsDouble() ? 0 : 1); last SYMBOL; }
+
+    $Status = 0;
+  }
+  return $Status;
+}
+
+# Cache  appropriate molecule data...
+#
+sub _SetupMoleculeDataCache {
+  my($This) = @_;
+
+  @{$This->{Atoms}} = $This->GetMolecule()->GetAtoms();
+  @{$This->{Bonds}} = $This->GetMolecule()->GetBonds();
+
+  return $This;
+}
+
+# Clear cached molecule data...
+#
+sub _ClearMoleculeDataCache {
+  my($This) = @_;
+
+  @{$This->{Atoms}} = ();
+  @{$This->{Bonds}} = ();
+
+  return $This;
+}
+
+# Return a string containg data for MACCSKeys object...
+sub StringifyMACCSKeys {
+  my($This) = @_;
+  my($MACCSKeysString);
+
+  # Type of Keys...
+  $MACCSKeysString = "Type: $This->{Type}; Size: $This->{Size}";
+
+  if ($This->{Type} =~ /^MACCSKeyBits$/i) {
+    $MACCSKeysString .= "; FingerprintsBitVector: < $This->{FingerprintsBitVector} >";
+  }
+  elsif ($This->{Type} =~ /^MACCSKeyCount$/i) {
+    $MACCSKeysString .= "; FingerprintsVector: < $This->{FingerprintsVector} >";
+  }
+
+  return $MACCSKeysString;
+}
+
+1;
+
+__END__
+
+=head1 NAME
+
+MACCSKeys
+
+=head1 SYNOPSIS
+
+use Fingerprints::MACCSKeys;
+
+use Fingerprints::MACCSKeys qw(:all);
+
+=head1 DESCRIPTION
+
+B<MACCSKeys> [ Ref 45-47 ] class provides the following methods:
+
+new, GenerateFingerprints, GenerateMACCSKeys, GetDescription, SetSize, SetType,
+StringifyMACCSKeys
+
+B<MACCSKeys> is derived from B<Fingerprints> class which in turn is  derived from
+B<ObjectProperty> base class that provides methods not explicitly defined in B<MACCSKeys>,
+B<Fingerprints> or B<ObjectProperty> classes using Perl's AUTOLOAD functionality. These
+methods are generated on-the-fly for a specified object property:
+
+    Set<PropertyName>(<PropertyValue>);
+    $PropertyValue = Get<PropertyName>();
+    Delete<PropertyName>();
+
+For each MACCS (Molecular ACCess System) keys definition, atoms are processed to
+determine their membership to the key and the appropriate molecular fingerprints strings
+are generated. An atom can belong to multiple MACCS keys.
+
+For I<MACCSKeyBits> value of B<Type> option, a fingerprint bit-vector string containing
+zeros and ones is generated and for I<MACCSKeyCount> value, a fingerprint vector string
+corresponding to number of MACCS keys [ Ref 45-47 ] is generated.
+
+I<MACCSKeyBits or MACCSKeyCount> values for B<Type> along with two possible
+I<166 | 322>  values of B<Size> supports generation of four different types of MACCS
+keys fingerprint: I<MACCS166KeyBits, MACCS166KeyCount, MACCS322KeyBits, MACCS322KeyCount>.
+
+The current release of MayaChemTools generates the following types of MACCS keys
+fingerprints bit-vector and vector strings:
+
+    FingerprintsBitVector;MACCSKeyBits;166;BinaryString;Ascending;00000000
+    0000000000000000000000000000000001001000010010000000010010000000011100
+    0100101010111100011011000100110110000011011110100110111111111111011111
+    11111111111110111000
+
+    FingerprintsBitVector;MACCSKeyBits;166;HexadecimalString;Ascending;000
+    000000021210210e845f8d8c60b79dffbffffd1
+
+    FingerprintsBitVector;MACCSKeyBits;322;BinaryString;Ascending;11101011
+    1110011111100101111111000111101100110000000000000011100010000000000000
+    0000000000000000000000000000000000000000000000101000000000000000000000
+    0000000000000000000000000000000000000000000000000000000000000000000000
+    0000000000000000000000000000000000000011000000000000000000000000000000
+    0000000000000000000000000000000000000000
+
+    FingerprintsBitVector;MACCSKeyBits;322;HexadecimalString;Ascending;7d7
+    e7af3edc000c1100000000000000500000000000000000000000000000000300000000
+    000000000
+
+    FingerprintsVector;MACCSKeyCount;166;OrderedNumericalValues;ValuesStri
+    ng;0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
+    0 0 0 0 0 0 0 1 0 0 3 0 0 0 0 4 0 0 2 0 0 0 0 0 0 0 0 2 0 0 2 0 0 0 0
+    0 0 0 0 1 1 8 0 0 0 1 0 0 1 0 1 0 1 0 3 1 3 1 0 0 0 1 2 0 11 1 0 0 0
+    5 0 0 1 2 0 1 1 0 0 0 0 0 1 1 0 1 1 1 1 0 4 0 0 1 1 0 4 6 1 1 1 2 1 1
+    3 5 2 2 0 5 3 5 1 1 2 5 1 2 1 2 4 8 3 5 5 2 2 0 3 5 4 1
+
+    FingerprintsVector;MACCSKeyCount;322;OrderedNumericalValues;ValuesStri
+    ng;14 8 2 0 2 0 4 4 2 1 4 0 0 2 5 10 5 2 1 0 0 2 0 5 13 3 28 5 5 3 0 0
+    0 4 2 1 1 0 1 1 0 0 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 22 5 3 0 0 0 1 0
+    0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
+    0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 11 0 2 0 0 0 0 0 0 0 0 0
+    0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ...
+
+=head2 METHODS
+
+=over 4
+
+=item B<new>
+
+    $NewMACCSKeys = new MACCSKeys(%NamesAndValues);
+
+Using specified I<MACCSKeys> property names and values hash, B<new> method creates a new object
+and returns a reference to newly created B<PathLengthFingerprints> object. By default, the
+following properties are initialized:
+
+    Molecule = '';
+    Type = ''
+    Size = ''
+
+Examples:
+
+    $MACCSKeys = new MACCSKeys('Molecule' => $Molecule,
+                               'Type' => 'MACCSKeyBits',
+                               'Size' => 166);
+
+    $MACCSKeys = new MACCSKeys('Molecule' => $Molecule,
+                               'Type' => 'MACCSKeyCount',
+                               'Size' => 166);
+
+    $MACCSKeys = new MACCSKeys('Molecule' => $Molecule,
+                               'Type' => 'MACCSKeyBit',
+                               'Size' => 322);
+
+    $MACCSKeys = new MACCSKeys('Molecule' => $Molecule,
+                               'Type' => 'MACCSKeyCount',
+                               'Size' => 322);
+
+    $MACCSKeys->GenerateMACCSKeys();
+    print "$MACCSKeys\n";
+
+=item B<GetDescription>
+
+    $Description = $MACCSKeys->GetDescription();
+
+Returns a string containing description of MACCS keys fingerprints.
+
+=item B<GenerateMACCSKeys or GenerateFingerprints>
+
+    $MACCSKeys = $MACCSKeys->GenerateMACCSKeys();
+
+Generates MACCS keys fingerprints and returns I<MACCSKeys>.
+
+For I<MACCSKeyBits> value of B<Type>, a fingerprint bit-vector string containing
+zeros and ones is generated and for I<MACCSKeyCount> value, a fingerprint vector string
+corresponding to number of MACCS keys is generated.
+
+I<MACCSKeyBits or MACCSKeyCount> values for B<Type> option along with two possible
+I<166 | 322>  values of B<Size> supports generation of four different types of MACCS
+keys fingerprint: I<MACCS166KeyBits, MACCS166KeyCount, MACCS322KeyBits, MACCS322KeyCount>.
+
+Definition of MACCS keys uses the following atom and bond symbols to define atom and
+bond environments:
+
+    Atom symbols for 166 keys [ Ref 47 ]:
+
+    A : Any valid periodic table element symbol
+    Q  : Hetro atoms; any non-C or non-H atom
+    X  : Halogens; F, Cl, Br, I
+    Z  : Others; other than H, C, N, O, Si, P, S, F, Cl, Br, I
+
+    Atom symbols for 322 keys [ Ref 46 ]:
+
+    A : Any valid periodic table element symbol
+    Q  : Hetro atoms; any non-C or non-H atom
+    X  : Others; other than H, C, N, O, Si, P, S, F, Cl, Br, I
+    Z is neither defined nor used
+
+    Bond types:
+
+    -  : Single
+    =  : Double
+    T  : Triple
+    #  : Triple
+    ~  : Single or double query bond
+    %  : An aromatic query bond
+
+    None : Any bond type; no explicit bond specified
+
+    $  : Ring bond; $ before a bond type specifies ring bond
+    !  : Chain or non-ring bond; ! before a bond type specifies chain bond
+
+    @  : A ring linkage and the number following it specifies the
+         atoms position in the line, thus @1 means linked back to the first
+         atom in the list.
+
+    Aromatic: Kekule or Arom5
+
+    Kekule: Bonds in 6-membered rings with alternate single/double bonds
+            or perimeter bonds
+    Arom5:  Bonds in 5-membered rings with two double bonds and a hetro
+            atom at the apex of the ring.
+
+MACCS 166 keys [ Ref 45-47 ] are defined as follows:
+
+    Key Description
+
+    1	ISOTOPE
+    2	103 < ATOMIC NO. < 256
+    3	GROUP IVA,VA,VIA PERIODS 4-6 (Ge...)
+    4	ACTINIDE
+    5	GROUP IIIB,IVB (Sc...)
+    6	LANTHANIDE
+    7	GROUP VB,VIB,VIIB (V...)
+    8	QAAA@1
+    9	GROUP VIII (Fe...)
+    10	GROUP IIA (ALKALINE EARTH)
+    11	4M RING
+    12	GROUP IB,IIB (Cu...)
+    13	ON(C)C
+    14	S-S
+    15	OC(O)O
+    16	QAA@1
+    17	CTC
+    18	GROUP IIIA (B...)
+    19	7M RING
+    20	SI
+    21	C=C(Q)Q
+    22	3M RING
+    23	NC(O)O
+    24	N-O
+    25	NC(N)N
+    26	C$=C($A)$A
+    27	I
+    28	QCH2Q
+    29	P
+    30	CQ(C)(C)A
+    31	QX
+    32	CSN
+    33	NS
+    34	CH2=A
+    35	GROUP IA (ALKALI METAL)
+    36	S HETEROCYCLE
+    37	NC(O)N
+    38	NC(C)N
+    39	OS(O)O
+    40	S-O
+    41	CTN
+    42	F
+    43	QHAQH
+    44	OTHER
+    45	C=CN
+    46	BR
+    47	SAN
+    48	OQ(O)O
+    49	CHARGE
+    50	C=C(C)C
+    51	CSO
+    52	NN
+    53	QHAAAQH
+    54	QHAAQH
+    55	OSO
+    56	ON(O)C
+    57	O HETEROCYCLE
+    58	QSQ
+    59	Snot%A%A
+    60	S=O
+    61	AS(A)A
+    62	A$A!A$A
+    63	N=O
+    64	A$A!S
+    65	C%N
+    66	CC(C)(C)A
+    67	QS
+    68	QHQH (&...)
+    69	QQH
+    70	QNQ
+    71	NO
+    72	OAAO
+    73	S=A
+    74	CH3ACH3
+    75	A!N$A
+    76	C=C(A)A
+    77	NAN
+    78	C=N
+    79	NAAN
+    80	NAAAN
+    81	SA(A)A
+    82	ACH2QH
+    83 	QAAAA@1
+    84	NH2
+    85	CN(C)C
+    86	CH2QCH2
+    87	X!A$A
+    88	S
+    89	OAAAO
+    90	QHAACH2A
+    91	QHAAACH2A
+    92	OC(N)C
+    93	QCH3
+    94	QN
+    95	NAAO
+    96	5M RING
+    97	NAAAO
+    98	QAAAAA@1
+    99	C=C
+    100	ACH2N
+    101	8M RING
+    102	QO
+    103	CL
+    104	QHACH2A
+    105	A$A($A)$A
+    106	QA(Q)Q
+    107	XA(A)A
+    108	CH3AAACH2A
+    109	ACH2O
+    110	NCO
+    111	NACH2A
+    112	AA(A)(A)A
+    113	Onot%A%A
+    114	CH3CH2A
+    115	CH3ACH2A
+    116	CH3AACH2A
+    117	NAO
+    118	ACH2CH2A > 1
+    119	N=A
+    120	HETEROCYCLIC ATOM > 1 (&...)
+    121	N HETEROCYCLE
+    122	AN(A)A
+    123	OCO
+    124	QQ
+    125	AROMATIC RING > 1
+    126	A!O!A
+    127	A$A!O > 1 (&...)
+    128	ACH2AAACH2A
+    129	ACH2AACH2A
+    130	QQ > 1 (&...)
+    131	QH > 1
+    132	OACH2A
+    133	A$A!N
+    134	X (HALOGEN)
+    135	Nnot%A%A
+    136	O=A > 1
+    137	HETEROCYCLE
+    138	QCH2A > 1 (&...)
+    139	OH
+    140	O > 3 (&...)
+    141	CH3 > 2 (&...)
+    142	N > 1
+    143	A$A!O
+    144	Anot%A%Anot%A
+    145	6M RING > 1
+    146	O > 2
+    147	ACH2CH2A
+    148	AQ(A)A
+    149	CH3 > 1
+    150	A!A$A!A
+    151	NH
+    152	OC(C)C
+    153	QCH2A
+    154	C=O
+    155	A!CH2!A
+    156	NA(A)A
+    157	C-O
+    158	C-N
+    159	O > 1
+    160	CH3
+    161	N
+    162	AROMATIC
+    163	6M RING
+    164	O
+    165	RING
+    166 	FRAGMENTS
+
+MACCS 322 keys set as defined in tables 1, 2 and 3 [ Ref 46 ] include:
+
+    o 26 atom properties of type P, as listed in Table 1
+    o 32 one-atom environments, as listed in Table 3
+    o 264 atom-bond-atom combinations listed in Table 4
+
+Total number of keys in three tables is : 322
+
+Atom symbol, X, used for 322 keys [ Ref 46 ] doesn't refer to Halogens as it does for 166 keys. In
+order to keep the definition of 322 keys consistent with the published definitions, the symbol X is
+used to imply "others" atoms, but it's internally mapped to symbol X as defined for 166 keys
+during the generation of key values.
+
+Atom properties-based keys (26):
+
+    Key   Description
+    1     A(AAA) or AA(A)A - atom with at least three neighbors
+    2     Q - heteroatom
+    3     Anot%not-A - atom involved in one or more multiple bonds, not aromatic
+    4     A(AAAA) or AA(A)(A)A - atom with at least four neighbors
+    5     A(QQ) or QA(Q) - atom with at least two heteroatom neighbors
+    6     A(QQQ) or QA(Q)Q - atom with at least three heteroatom neighbors
+    7     QH - heteroatom with at least one hydrogen attached
+    8     CH2(AA) or ACH2A - carbon with at least two single bonds and at least
+          two hydrogens attached
+    9     CH3(A) or ACH3 - carbon with at least one single bond and at least three
+          hydrogens attached
+    10    Halogen
+    11    A(-A-A-A) or A-A(-A)-A - atom has at least three single bonds
+    12    AAAAAA@1 > 2 - atom is in at least two different six-membered rings
+    13    A($A$A$A) or A$A($A)$A - atom has more than two ring bonds
+    14    A$A!A$A - atom is at a ring/chain boundary. When a comparison is done
+          with another atom the path passes through the chain bond.
+    15    Anot%A%Anot%A - atom is at an aromatic/nonaromatic boundary. When a
+          comparison is done with another atom the path
+          passes through the aromatic bond.
+    16    A!A!A  - atom with more than one chain bond
+    17    A!A$A!A - atom is at a ring/chain boundary. When a comparison is done
+          with another atom the path passes through the ring bond.
+    18    A%Anot%A%A - atom is at an aromatic/nonaromatic boundary. When a
+          comparison is done with another atom the
+          path passes through the nonaromatic bond.
+    19    HETEROCYCLE - atom is a heteroatom in a ring.
+    20    rare properties: atom with five or more neighbors, atom in
+          four or more rings, or atom types other than
+          H, C, N, O, S, F, Cl, Br, or I
+    21    rare properties: atom has a charge, is an isotope, has two or
+          more multiple bonds, or has a triple bond.
+    22    N - nitrogen
+    23    S - sulfur
+    24    O - oxygen
+    25    A(AA)A(A)A(AA) - atom has two neighbors, each with three or
+          more neighbors (including the central atom).
+    26    CHACH2 - atom has two hydrocarbon (CH2) neighbors
+
+Atomic environments properties-based keys (32):
+
+    Key   Description
+    27    C(CC)
+    28    C(CCC)
+    29    C(CN)
+    30    C(CCN)
+    31    C(NN)
+    32    C(NNC)
+    33    C(NNN)
+    34    C(CO)
+    35    C(CCO)
+    36    C(NO)
+    37    C(NCO)
+    38    C(NNO)
+    39    C(OO)
+    40    C(COO)
+    41    C(NOO)
+    42    C(OOO)
+    43    Q(CC)
+    44    Q(CCC)
+    45    Q(CN)
+    46    Q(CCN)
+    47    Q(NN)
+    48    Q(CNN)
+    49    Q(NNN)
+    50    Q(CO)
+    51    Q(CCO)
+    52    Q(NO)
+    53    Q(CNO)
+    54    Q(NNO)
+    55    Q(OO)
+    56    Q(COO)
+    57    Q(NOO)
+    58    Q(OOO)
+
+Note: The first symbol is the central atom, with atoms bonded to the central atom listed in
+parentheses. Q is any non-C, non-H atom. If only two atoms are in parentheses, there is
+no implication concerning the other atoms bonded to the central atom.
+
+Atom-Bond-Atom properties-based keys: (264)
+
+    Key   Description
+    59    C-C
+    60    C-N
+    61    C-O
+    62    C-S
+    63    C-Cl
+    64    C-P
+    65    C-F
+    66    C-Br
+    67    C-Si
+    68    C-I
+    69    C-X
+    70    N-N
+    71    N-O
+    72    N-S
+    73    N-Cl
+    74    N-P
+    75    N-F
+    76    N-Br
+    77    N-Si
+    78    N-I
+    79    N-X
+    80    O-O
+    81    O-S
+    82    O-Cl
+    83    O-P
+    84    O-F
+    85    O-Br
+    86    O-Si
+    87    O-I
+    88    O-X
+    89    S-S
+    90    S-Cl
+    91    S-P
+    92    S-F
+    93    S-Br
+    94    S-Si
+    95    S-I
+    96    S-X
+    97    Cl-Cl
+    98    Cl-P
+    99    Cl-F
+    100   Cl-Br
+    101   Cl-Si
+    102   Cl-I
+    103   Cl-X
+    104   P-P
+    105   P-F
+    106   P-Br
+    107   P-Si
+    108   P-I
+    109   P-X
+    110   F-F
+    111   F-Br
+    112   F-Si
+    113   F-I
+    114   F-X
+    115   Br-Br
+    116   Br-Si
+    117   Br-I
+    118   Br-X
+    119   Si-Si
+    120   Si-I
+    121   Si-X
+    122   I-I
+    123   I-X
+    124   X-X
+    125   C=C
+    126   C=N
+    127   C=O
+    128   C=S
+    129   C=Cl
+    130   C=P
+    131   C=F
+    132   C=Br
+    133   C=Si
+    134   C=I
+    135   C=X
+    136   N=N
+    137   N=O
+    138   N=S
+    139   N=Cl
+    140   N=P
+    141   N=F
+    142   N=Br
+    143   N=Si
+    144   N=I
+    145   N=X
+    146   O=O
+    147   O=S
+    148   O=Cl
+    149   O=P
+    150   O=F
+    151   O=Br
+    152   O=Si
+    153   O=I
+    154   O=X
+    155   S=S
+    156   S=Cl
+    157   S=P
+    158   S=F
+    159   S=Br
+    160   S=Si
+    161   S=I
+    162   S=X
+    163   Cl=Cl
+    164   Cl=P
+    165   Cl=F
+    166   Cl=Br
+    167   Cl=Si
+    168   Cl=I
+    169   Cl=X
+    170   P=P
+    171   P=F
+    172   P=Br
+    173   P=Si
+    174   P=I
+    175   P=X
+    176   F=F
+    177   F=Br
+    178   F=Si
+    179   F=I
+    180   F=X
+    181   Br=Br
+    182   Br=Si
+    183   Br=I
+    184   Br=X
+    185   Si=Si
+    186   Si=I
+    187   Si=X
+    188   I=I
+    189   I=X
+    190   X=X
+    191   C#C
+    192   C#N
+    193   C#O
+    194   C#S
+    195   C#Cl
+    196   C#P
+    197   C#F
+    198   C#Br
+    199   C#Si
+    200   C#I
+    201   C#X
+    202   N#N
+    203   N#O
+    204   N#S
+    205   N#Cl
+    206   N#P
+    207   N#F
+    208   N#Br
+    209   N#Si
+    210   N#I
+    211   N#X
+    212   O#O
+    213   O#S
+    214   O#Cl
+    215   O#P
+    216   O#F
+    217   O#Br
+    218   O#Si
+    219   O#I
+    220   O#X
+    221   S#S
+    222   S#Cl
+    223   S#P
+    224   S#F
+    225   S#Br
+    226   S#Si
+    227   S#I
+    228   S#X
+    229   Cl#Cl
+    230   Cl#P
+    231   Cl#F
+    232   Cl#Br
+    233   Cl#Si
+    234   Cl#I
+    235   Cl#X
+    236   P#P
+    237   P#F
+    238   P#Br
+    239   P#Si
+    240   P#I
+    241   P#X
+    242   F#F
+    243   F#Br
+    244   F#Si
+    245   F#I
+    246   F#X
+    247   Br#Br
+    248   Br#Si
+    249   Br#I
+    250   Br#X
+    251   Si#Si
+    252   Si#I
+    253   Si#X
+    254   I#I
+    255   I#X
+    256   X#X
+    257   C$C
+    258   C$N
+    259   C$O
+    260   C$S
+    261   C$Cl
+    262   C$P
+    263   C$F
+    264   C$Br
+    265   C$Si
+    266   C$I
+    267   C$X
+    268   N$N
+    269   N$O
+    270   N$S
+    271   N$Cl
+    272   N$P
+    273   N$F
+    274   N$Br
+    275   N$Si
+    276   N$I
+    277   N$X
+    278   O$O
+    279   O$S
+    280   O$Cl
+    281   O$P
+    282   O$F
+    283   O$Br
+    284   O$Si
+    285   O$I
+    286   O$X
+    287   S$S
+    288   S$Cl
+    289   S$P
+    290   S$F
+    291   S$Br
+    292   S$Si
+    293   S$I
+    294   S$X
+    295   Cl$Cl
+    296   Cl$P
+    297   Cl$F
+    298   Cl$Br
+    299   Cl$Si
+    300   Cl$I
+    301   Cl$X
+    302   P$P
+    303   P$F
+    304   P$Br
+    305   P$Si
+    306   P$I
+    307   P$X
+    308   F$F
+    309   F$Br
+    310   F$Si
+    311   F$I
+    312   F$X
+    313   Br$Br
+    314   Br$Si
+    315   Br$I
+    316   Br$X
+    317   Si$Si
+    318   Si$I
+    319   Si$X
+    320   I$I
+    321   I$X
+    322   X$X
+
+=item B<SetSize>
+
+    $MACCSKeys->SetSize($Size);
+
+Sets size of MACCS keys and returns I<MACCSKeys>. Possible values: I<166 or 322>.
+
+=item B<SetType>
+
+    $MACCSKeys->SetType($Type);
+
+Sets type of MACCS keys and returns I<MACCSKeys>. Possible values: I<MACCSKeysBits or
+MACCSKeysCount>.
+
+=item B<StringifyMACCSKeys>
+
+    $String = $MACCSKeys->StringifyMACCSKeys();
+
+Returns a string containing information about I<MACCSKeys> object.
+
+=back
+
+=head1 AUTHOR
+
+Manish Sud <msud@san.rr.com>
+
+=head1 SEE ALSO
+
+Fingerprints.pm, FingerprintsStringUtil.pm, AtomNeighborhoodsFingerprints.pm,
+AtomTypesFingerprints.pm, EStateIndiciesFingerprints.pm, ExtendedConnectivityFingerprints.pm,
+PathLengthFingerprints.pm, TopologicalAtomPairsFingerprints.pm, TopologicalAtomTripletsFingerprints.pm,
+TopologicalAtomTorsionsFingerprints.pm, TopologicalPharmacophoreAtomPairsFingerprints.pm,
+TopologicalPharmacophoreAtomTripletsFingerprints.pm
+
+=head1 COPYRIGHT
+
+Copyright (C) 2015 Manish Sud. All rights reserved.
+
+This file is part of MayaChemTools.
+
+MayaChemTools is free software; you can redistribute it and/or modify it under
+the terms of the GNU Lesser General Public License as published by the Free
+Software Foundation; either version 3 of the License, or (at your option)
+any later version.
+
+=cut
author	deepakjadmin
date	Wed, 20 Jan 2016 09:23:18 -0500
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