#
# $RCSfile: EStateAtomTypes.csv,v $
# $Date: 2015/02/28 20:48:22 $
# $Revision: 1.13 $
#
# 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.
#
#
# Original data sources:
#     o Kier et al. [ Ref 75-78 ]
#
# Notes:
#     o 87 E-state atom types are listed 
#     o 22 hydrogen E-state atom types are listed
#     o AtomTypes::EStatAtomTypes.pm nodule is used to assign E-state atom types
#
"AtomType","AtomGroup"
"sLi","-Li"
"ssBe","-Be-"
"ssssBem",">Be<-2"
"sBH2","-BH2"
"ssBH","-BH-"
"sssB","-B<"
"ssssBm",">B<-"
"sCH3","-CH3"
"dCH2","=CH2"
"ssCH2","-CH2-"
"tCH","#CH"
"dsCH","=CH-"
"aaCH",":CH:"
"sssCH",">CH-"
"ddC","=C="
"tsC","#C-"
"dssC","=C<"
"aasC",":C:-"
"aaaC","::C:"
"ssssC",">C<"
"sNH3p","-NH3+"
"sNH2","-NH2"
"ssNH2p","-NH2-+"
"dNH","=NH"
"ssNH","-NH-"
"aaNH",":NH:"
"tN","#N"
"sssNHp",">NH-+"
"dsN","=N-"
"aaN",":N:"
"sssN",">N-"
"ddsN","-N<<"
"aasN",":N:-"
"ssssNp",">N<+"
"sOH","-OH"
"dO","=O"
"ssO","-O-"
"aaO",":O:"
"aOm",":O-"
"sOm","-O-"
"sF","-F"
"sSiH3","-SiH3"
"ssSiH2","-SiH2-"
"sssSiH",">SiH-"
"ssssSi",">Si<"
"sPH2","-PH2"
"ssPH","-PH-"
"sssP",">P-"
"dsssP","->P="
"ddsP","-=P="
"sssssP","->P<"
"sSH","-SH"
"dS","=S"
"ssS","-S-"
"aaS","aSa"
"dssS",">S="
"ddssS",">S=="
"ssssssS",">S<<"
"Sm","-S-"
"sCl","-Cl"
"sGeH3","-GeH3"
"ssGeH2","-GeH2-"
"sssGeH",">GeH-"
"ssssGe",">Ge<"
"sAsH2","-AsH2"
"ssAsH","-AsH-"
"sssAs",">As-"
"dsssAs","->As="
"ddsAs","-=As="
"sssssAs","->As<"
"sSeH","-SeH"
"dSe","=Se"
"ssSe","-Se-"
"aaSe","aSea"
"dssSe",">Se="
"ssssssSe",">Se<<"
"ddssSe","-=Se=-"
"sBr","-Br"
"sSnH3","-SnH3"
"ssSnH2","-SnH2-"
"sssSnH",">SnH-"
"ssssSn",">Sn<"
"sI","-I"
"sPbH3","-PbH3"
"ssPbH2","-PbH2-"
"sssPbH",">PbH-"
"ssssPb",">Pb<"
"HsOH","-OH"
"HdNH","=NH"
"HsSH","-SH"
"HsNH2","-NH2"
"HssNH","-NH-"
"HaaNH",":NH:"
"HsNH3p","-NH3+"
"HssNH2p","-NH2-+"
"HsssNHp",">NH-+"
"HtCH","#CH"
"HdCH2","=CH2"
"HdsCH","=CH-"
"HaaCH",":CH:"
"HCHF",">CHF"
"HCH2F","-CH2F"
"HCHCl",">CHCl"
"HCH2Cl","-CH2Cl"
"HCSats","CHn (saturated)"
"HCsatu","CHn (unsatd.)"
"HAvin","CHn (aromatic)"
"Hother","CHn"
"Hmisc","AHn (A not C N O S)"
