final missing files in source/

git-svn-id: svn://tug.org/texlive/trunk@603 c570f23f-e606-0410-a88d-b1316a301751

36 files changed, 41166 insertions, 0 deletions

diff --git a/Master/texmf-dist/source/latex/xymtex/aliphat.drv b/Master/texmf-dist/source/latex/xymtex/aliphat.drv
new file mode 100644
index 00000000000..bd9e118e02b
--- /dev/null
+++ b/Master/texmf-dist/source/latex/xymtex/aliphat.drv
@@ -0,0 +1,81 @@
+%%
+%% This is file `aliphat.drv',
+%% generated with the docstrip utility.
+%%
+%% The original source files were:
+%%
+%% aliphat.dtx  (with options: `driver')
+%% 
+%% This is a generated file.
+%% 
+%% Copyright 1996, 1998 by Shinsaku Fujita
+%% 
+%% This file is part of the XyMTeX system.
+%% =======================================
+%% 
+%% Version 1.01 Released on August 16, 1996
+%% Version 1.02 Released on October 31, 1996
+%% Version 2.00 Released on December 25, 1998
+%% 
+%% Copyright (C) 1996, 1998 by Shinsaku Fujita, all rights reserved.
+%% This style file is created for drawing chemical structural formulas
+%% This style file is to be contained in the ``xymtex'' directory which
+%% is an input directory for TeX.
+%% 
+%% Copying of this file is authorized only if either
+%% 
+%%  (1) you make absolutely no changes to your copy, including name and
+%%      directory name
+%%  (2) if you do make changes,
+%%      (a) you name it something other than the names included in the
+%%          ``xymtex'' directory and
+%%      (b) you acknowledge the original name.
+%%  This restriction ensures that all standard styles are identical.
+%% 
+%% =======================================
+%% 
+%% This file contains several codes modified from latex.tex (LaTeX2.09)
+%% and from latex.ltx (a LaTeX2e), the reused parts of which are subject to
+%% Copyright 1994 the LaTeX3 project and the individual authors (For further
+%% copyright information see the file legal.txt of the LaTeX2e standard
+%% distribution, and any other copyright indicated in this file.)
+%% 
+%% File: aliphat.dtx
+%% \CharacterTable
+%%  {Upper-case    \A\B\C\D\E\F\G\H\I\J\K\L\M\N\O\P\Q\R\S\T\U\V\W\X\Y\Z
+%%   Lower-case    \a\b\c\d\e\f\g\h\i\j\k\l\m\n\o\p\q\r\s\t\u\v\w\x\y\z
+%%   Digits        \0\1\2\3\4\5\6\7\8\9
+%%   Exclamation   \!     Double quote  \"     Hash (number) \#
+%%   Dollar        \$     Percent       \%     Ampersand     \&
+%%   Acute accent  \'     Left paren    \(     Right paren   \)
+%%   Asterisk      \*     Plus          \+     Comma         \,
+%%   Minus         \-     Point         \.     Solidus       \/
+%%   Colon         \:     Semicolon     \;     Less than     \<
+%%   Equals        \=     Greater than  \>     Question mark \?
+%%   Commercial at \@     Left bracket  \[     Backslash     \\
+%%   Right bracket \]     Circumflex    \^     Underscore    \_
+%%   Grave accent  \`     Left brace    \{     Vertical bar  \|
+%%   Right brace   \}     Tilde         \~}
+\NeedsTeXFormat{pLaTeX2e}
+\ProvidesFile{aliphat.dtx}[1998/12/25 v2.00 XyMTeX{} package file]
+\documentclass{ltxdoc}
+\GetFileInfo{aliphat.dtx}
+\def\UPSILON{\char'7}
+\def\XyM{X\kern-.30em\smash{%
+\raise.50ex\hbox{\UPSILON}}\kern-.30em{M}}
+\def\XyMTeX{\XyM\kern-.1em\TeX}
+\title{Aliphatic compounds by {\sffamily aliphat.sty}
+(\fileversion) of \XyMTeX{}}
+\author{Shinsaku Fujita \\
+Department of Chemistry and Materials Technology, \\
+Kyoto Institute of Technology, \\
+Matsugasaki, Sakyoku, Kyoto, 606 Japan
+}
+\date{\filedate}
+\begin{document}
+   \maketitle
+   \DocInput{aliphat.dtx}
+\end{document}
+\endinput
+%%
+%% End of file `aliphat.drv'.
diff --git a/Master/texmf-dist/source/latex/xymtex/aliphat.dtx b/Master/texmf-dist/source/latex/xymtex/aliphat.dtx
new file mode 100644
index 00000000000..4f1367d15ce
--- /dev/null
+++ b/Master/texmf-dist/source/latex/xymtex/aliphat.dtx
@@ -0,0 +1,3193 @@
+% \iffalse meta-comment
+%% File: aliphat.dtx
+%
+%  Copyright 1993,1996,1998 by Shinsaku Fujita
+%
+%  This file is part of XyMTeX system.
+%  -------------------------------------
+%
+% This file is a successor to:
+%
+% aliphat.sty
+% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
+% \typeout{XyMTeX for Drawing Chemical Structural Formulas. Version 1.00}
+% \typeout{       -- Released December 1, 1993 by Shinsaku Fujita}
+% Copyright (C) 1993 by Shinsaku Fujita, all rights reserved.
+%
+% This file is a part of the macro package ``XyMTeX'' which has been 
+% designed for typesetting chemical structural formulas.
+%
+% This file is to be contained in the ``xymtex'' directory which is 
+% an input directory for TeX. It is a LaTeX optional style file and 
+% should be used only within LaTeX, because several macros of the file 
+% are based on LaTeX commands. 
+%
+% For the review of XyMTeX, see
+%  (1)  Shinsaku Fujita, ``Typesetting structural formulas with the text
+%    formatter TeX/LaTeX'', Computers and Chemistry, in press.    
+% The following book deals with an application of TeX/LaTeX to 
+% preparation of manuscripts of chemical fields:
+%  (2)  Shinsaku Fujita, ``LaTeX for Chemists and Biochemists'' 
+%    Tokyo Kagaku Dozin, Tokyo (1993) [in Japanese].  
+%
+% Copying of this file is authorized only if either
+%  (1) you make absolutely no changes to your copy, including name and 
+%     directory name; or
+%  (2) if you do make changes, 
+%     (a) you name it something other than the names included in the 
+%         ``xymtex'' directory and 
+%     (b) you are requested to leave this notice intact.
+% This restriction ensures that all standard styles are identical.
+%
+% Please report any bugs, comments, suggestions, etc. to:
+%   Shinsaku Fujita, 
+%   Ashigara Research Laboratories, Fuji Photo Film Co., Ltd., 
+%   Minami-Ashigara, Kanagawa-ken, 250-01, Japan.
+% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
+% \def\j@urnalname{aliphat}
+% \def\versi@ndate{December 01, 1993}
+% \def\versi@nno{ver1.00}
+% \def\copyrighth@lder{SF}% Shinsaku Fujita
+% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
+% \def\j@urnalname{aliphat}
+% \def\versi@ndate{August 16, 1996}
+% \def\versi@nno{ver1.01}
+% \def\copyrighth@lder{SF} % Shinsaku Fujita
+% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
+% \def\j@urnalname{aliphat}
+% \def\versi@ndate{October 31, 1998}
+% \def\versi@nno{ver1.02}
+% \def\copyrighth@lder{SF} % Shinsaku Fujita
+% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
+%
+% \fi
+%
+% \CheckSum{3929}
+%% \CharacterTable
+%%  {Upper-case    \A\B\C\D\E\F\G\H\I\J\K\L\M\N\O\P\Q\R\S\T\U\V\W\X\Y\Z
+%%   Lower-case    \a\b\c\d\e\f\g\h\i\j\k\l\m\n\o\p\q\r\s\t\u\v\w\x\y\z
+%%   Digits        \0\1\2\3\4\5\6\7\8\9
+%%   Exclamation   \!     Double quote  \"     Hash (number) \#
+%%   Dollar        \$     Percent       \%     Ampersand     \&
+%%   Acute accent  \'     Left paren    \(     Right paren   \)
+%%   Asterisk      \*     Plus          \+     Comma         \,
+%%   Minus         \-     Point         \.     Solidus       \/
+%%   Colon         \:     Semicolon     \;     Less than     \<
+%%   Equals        \=     Greater than  \>     Question mark \?
+%%   Commercial at \@     Left bracket  \[     Backslash     \\
+%%   Right bracket \]     Circumflex    \^     Underscore    \_
+%%   Grave accent  \`     Left brace    \{     Vertical bar  \|
+%%   Right brace   \}     Tilde         \~}
+%
+% \setcounter{StandardModuleDepth}{1}
+%
+% \StopEventually{}
+% \MakeShortVerb{\|}
+%
+% \iffalse
+% \changes{v1.01}{1996/06/26}{first edition for LaTeX2e}
+% \changes{v1.02}{1998/10/31}{revised edition for LaTeX2e}
+% \changes{v2.00}{1998/12/25}{enhanced edition for LaTeX2e}
+% \fi
+%
+% \iffalse
+%<*driver>
+\NeedsTeXFormat{pLaTeX2e}
+% \fi
+\ProvidesFile{aliphat.dtx}[1998/12/25 v2.00 XyMTeX{} package file]
+% \iffalse
+\documentclass{ltxdoc}
+\GetFileInfo{aliphat.dtx}
+%
+% %%XyMTeX Logo: Definition 2%%%
+\def\UPSILON{\char'7}
+\def\XyM{X\kern-.30em\smash{%
+\raise.50ex\hbox{\UPSILON}}\kern-.30em{M}}
+\def\XyMTeX{\XyM\kern-.1em\TeX}
+% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
+\title{Aliphatic compounds by {\sffamily aliphat.sty} 
+(\fileversion) of \XyMTeX{}}
+\author{Shinsaku Fujita \\ 
+Department of Chemistry and Materials Technology, \\
+Kyoto Institute of Technology, \\
+Matsugasaki, Sakyoku, Kyoto, 606 Japan
+% % (old address)
+% % Ashigara Research Laboratories, 
+% % Fuji Photo Film Co., Ltd., \\ 
+% % Minami-Ashigara, Kanagawa, 250-01 Japan
+}
+\date{\filedate}
+%
+\begin{document}
+   \maketitle
+   \DocInput{aliphat.dtx}
+\end{document}
+%</driver>
+% \fi
+%
+% \section{Introduction}\label{aliphat:intro}
+%
+% \subsection{Options for {\sffamily docstrip}}
+%
+% \DeleteShortVerb{\|}
+% \begin{center}
+% \begin{tabular}{|l|l|}
+% \hline
+% \emph{option} & \emph{function}\\ \hline
+% aliphat & aliphat.sty \\
+% driver & driver for this dtx file \\
+% \hline
+% \end{tabular}
+% \end{center}
+% \MakeShortVerb{\|}
+%
+% \subsection{Version Information}
+%
+%    \begin{macrocode}
+%<*aliphat>
+\typeout{XyMTeX for Drawing Chemical Structural Formulas. Version 2.00}
+\typeout{       -- Released December 25, 1998 by Shinsaku Fujita}
+% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
+\def\j@urnalname{aliphat}
+\def\versi@ndate{December 25, 1998}
+\def\versi@nno{ver2.00}
+\def\copyrighth@lder{SF} % Shinsaku Fujita
+% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
+\typeout{XyMTeX Macro File `\j@urnalname' (\versi@nno) <\versi@ndate>%
+\space[\copyrighth@lder]}
+%    \end{macrocode}
+%
+% \section{List of commands for aliphat.sty}
+%
+% \begin{verbatim}
+% *********************************
+% * aliphat.sty: list of commands *
+% *********************************
+%
+% <Conventions for bond-setting>
+%
+%     \Northbond
+%     \Eastbond
+%     \Southbond
+%     \Westbond
+%     \NEBond
+%     \NEbond
+%     \SEBond
+%     \SEbond
+%     \NWBond
+%     \NWbond
+%     \SWBond
+%     \SWbond
+%
+%     \NEBOND
+%     \NWBOND
+%     \SEBOND
+%     \SWBOND
+%  
+%  <Macros for position adjustment>
+%     \ylrtrigonalposition 
+%     \ylRtrigonalposition 
+%     \ylltrigonalposition 
+%     \ylLtrigonalposition 
+%     \ylutrigonalposition 
+%     \ylUtrigonalposition 
+%     \yldtrigonalposition 
+%     \ylDtrigonalposition 
+%
+%     \yltethedralposition
+%     \ylsquareposition
+%
+%     \ylethylenepositiona
+%     \ylethylenepositionb
+%     \ylethylenevpositiona
+%     \ylethylenevpositionb
+%
+%  <Macros for tetravalent atoms>
+%
+%     \tetrahedral                       \@tetrahedral
+%     \square                            \@square
+%
+%  <Macros for trivalent atoms>
+%
+%     \rtrigonal                         \@rtrigonal
+%     \Rtrigonal                         \@Rtrigonal
+%     \ltrigonal                         \@ltrigonal
+%     \Ltrigonal                         \@Ltrigonal
+%     \utrigonal                         \@utrigonal
+%     \Utrigonal                         \@Utrigonal
+%     \dtrigonal                         \@dtrigonal
+%     \Dtrigonal                         \@Dtrigonal
+%
+%  <Macros for two-carbon compounds>
+%
+%     \ethylene                          \@ethylene
+%     \Ethylene                          \@Ethylene
+%     \ethylenev                         \@ethylenev
+%     \Ethylenev                         \@Ethylenev
+%
+%  <Macros for stereo-projection>
+%
+%     \tetrastereo                       \@tetrastereo
+%     \dtetrastereo                      \@dtetrastereo
+%     \ethanestereo                      \@ethanestereo
+% \end{verbatim}
+%
+% \section{Input of basic macros}
+%
+% To assure the compatibility to \LaTeX{}2.09 (the native mode), 
+% the commands added by \LaTeXe{} have not been used in the resulting sty 
+% files ({\sf aliphat.sty} for the present case).  Hence, the combination 
+% of |\input| and |\@ifundefined| is used to crossload sty 
+% files ({\sf chemstr.sty} for the present case) in place of the 
+% |\RequirePackage| command of \LaTeXe{}. 
+%
+%    \begin{macrocode}
+% *************************
+% * input of basic macros *
+% *************************
+\@ifundefined{setsixringv}{\input chemstr.sty\relax}{}
+\unitlength=0.1pt
+%    \end{macrocode}
+%
+% \section{Macros for bond-setting}
+%
+% Single, double and triple bonds of aliphatic compounds are represented 
+% by horizontal, vertical or sloped lines, 
+% which can be drawn by such commands as |\Eastbond|, 
+% |\Northbond| and |\SEbond|. 
+% \changes{v1.02}{1998/10/20}{Adding \cs{NEBOND}, \cs{SEBOND}, \cs{NWBOND}, 
+% and \cs{SWBOND}}
+%
+% \changes{v1.02}{1998/10/20}{Adding \cs{yl@xdiff} and \cs{yl@ydiff}}
+%
+% \begin{macro}{\Northbond}
+%    \begin{macrocode}
+% ********************************
+% * Conventions for bond-setting *
+% ********************************
+\def\Northbond{%
+\yl@xdiff=40
+\yl@ydiff=-15
+\begin{picture}(100,200)(0,0)
+  \if\@tmpb D\relax%
+    \multiput(-13,52)(26,0){2}{\line(0,1){100}}% double bond up
+  \else\if\@tmpb T\relax%
+    \multiput(-20,52)(20,0){3}{\line(0,1){100}}% triple bond up
+  \else\if\@tmpb A%(A) alpha
+    {\thicklines\put(-8,52){\line(0,1){100}}}% single bond (alpha)
+  \else\if\@tmpb B%(B) beta
+       \@ifundefined{dottedline}{\put(0,52){\line(0,1){100}}}%
+         {{\thicklines \dottedline{20}(0,52)(0,152)}}%
+  \else\if\@tmpb S%
+       \put(0,52){\line(0,1){100}}%
+  \else \put(0,52){\line(0,1){100}}%
+  \fi\fi\fi\fi\fi%
+  \putlratom{-40}{167}{\@memberb}%==1 upper substituent
+\end{picture}}%
+%    \end{macrocode}
+% \end{macro}
+%
+% \changes{v1.02}{1998/10/20}{Adding \cs{yl@xdiff} and \cs{yl@ydiff}}
+%
+% \begin{macro}{\Eastbond}
+%    \begin{macrocode}
+\def\Eastbond{%
+\yl@xdiff=-10
+\yl@ydiff=33
+\begin{picture}(200,200)(0,0)
+  \if\@tmpb D\relax%
+     \multiput(50,-13)(0,26){2}{\line(1,0){140}}% double bond right
+  \else\if\@tmpb T\relax%
+     \multiput(50,-20)(0,20){3}{\line(1,0){140}}% double bond right
+  \else\if\@tmpb A%(A) alpha
+    {\thicklines\put(50,0){\line(1,0){140}}}% single bond (alpha)
+  \else\if\@tmpb B%(B) beta
+       \@ifundefined{dottedline}{\put(50,0){\line(1,0){140}}}%
+         {{\thicklines \dottedline{20}(50,0)(203,0)}}%
+  \else\if\@tmpb S%
+       \put(50,0){\line(1,0){140}}%
+    \else \put(50,0){\line(1,0){140}}%
+  \fi\fi\fi\fi\fi%
+  \putratom{200}{-33}{\@memberb}%==2 right substituent
+\end{picture}}%
+%    \end{macrocode}
+% \end{macro}
+%
+% \changes{v1.02}{1998/10/20}{Adding \cs{yl@xdiff} and \cs{yl@ydiff}}
+%
+% \begin{macro}{\Southbond}
+%    \begin{macrocode}
+\def\Southbond{%
+\yl@xdiff=40
+\yl@ydiff=95
+\begin{picture}(100,300)(0,0)
+  \if\@tmpb D\relax%
+     \multiput(-13,-48)(26,0){2}{\line(0,-1){100}}% double bond down
+  \else\if\@tmpb T\relax%
+     \multiput(-20,-48)(20,0){3}{\line(0,-1){100}}% double bond down
+  \else\if\@tmpb A%(A) alpha
+    {\thicklines\put(-8,-48){\line(0,-1){100}}}% single bond (alpha)
+  \else\if\@tmpb B%(B) beta
+       \@ifundefined{dottedline}{\put(0,-48){\line(0,-1){100}}}%
+         {{\thicklines \dottedline{20}(0,-48)(0,-148)}}%
+  \else\if\@tmpb S%
+       \put(0,-48){\line(0,-1){100}}%
+    \else \put(0,-48){\line(0,-1){100}}%
+  \fi\fi\fi\fi\fi%
+  \putlratom{-40}{-243}{\@memberb}%==3 down substituent
+\end{picture}}%
+%    \end{macrocode}
+% \end{macro}
+%
+% \changes{v1.02}{1998/10/20}{Adding \cs{yl@xdiff} and \cs{yl@ydiff}}
+%
+% \begin{macro}{\Westbond}
+%    \begin{macrocode}
+\def\Westbond{%
+\yl@xdiff=10
+\yl@ydiff=33
+\begin{picture}(100,300)(0,0)
+  \if\@tmpb D\relax%
+     \multiput(-190,-13)(0,26){2}{\line(1,0){140}}% double bond left
+  \else\if\@tmpb T\relax%
+     \multiput(-190,-20)(0,20){3}{\line(1,0){140}}% double bond left
+  \else\if\@tmpb A%(A) alpha
+    {\thicklines\put(-190,0){\line(1,0){140}}}% single bond (alpha)
+  \else\if\@tmpb B%(B) beta
+       \@ifundefined{dottedline}{\put(-190,0){\line(1,0){140}}}%
+         {{\thicklines \dottedline{20}(-190,0)(-40,0)}}%
+  \else\if\@tmpb S%
+       \put(-190,0){\line(1,0){140}}%
+  \else \put(-190,0){\line(1,0){140}}%
+  \fi\fi\fi\fi\fi%
+  \putlatom{-200}{-33}{\@memberb}%==4 left substituent
+\end{picture}}%
+%    \end{macrocode}
+% \end{macro}
+%
+% \changes{v1.02}{1998/10/20}{Adding \cs{yl@xdiff} and \cs{yl@ydiff}}
+%
+% \begin{macro}{\NEBond}
+%    \begin{macrocode}
+\def\NEBond{%degree 120
+\yl@xdiff=-9
+\yl@ydiff=13
+\begin{picture}(100,300)(0,0)
+  \if\@tmpb D\relax%
+    \put(33,48){\line(5,3){121}}%
+    \put(47,26){\line(5,3){121}}%northeast double bond
+  \else\if\@tmpb T\relax%
+    \put(31,52){\line(5,3){121}}%
+    \put(40,37){\line(5,3){121}}%
+    \put(49,22){\line(5,3){121}}%northeast triple bond
+  \else\if\@tmpb A%(A) alpha
+    {\thicklines\put(40,47){\line(5,3){121}}}% single bond (alpha)
+  \else\if\@tmpb B%(B) beta
+       \@ifundefined{dottedline}{\put(40,47){\line(5,3){121}}}%
+         {{\thicklines \dottedline{20}(40,47)(161,120)}}%
+  \else\if\@tmpb S%
+       \put(40,47){\line(5,3){121}}%
+  \else \put(40,47){\line(5,3){121}}%
+  \fi\fi\fi\fi\fi%
+  \putratom{170}{107}{\@memberb}%==2 (northeast substituent)
+\end{picture}}%
+%    \end{macrocode}
+% \end{macro}
+%
+% \changes{v1.02}{1998/10/20}{Adding \cs{yl@xdiff} and \cs{yl@ydiff}}
+%
+% \begin{macro}{\NEbond}
+%    \begin{macrocode}
+\def\NEbond{%degree 90
+\yl@xdiff=-5
+\yl@ydiff=10
+\begin{picture}(100,300)(0,0)
+  \if\@tmpb D\relax%
+     \put(31,46){\line(1,1){100}}%
+     \put(49,28){\line(1,1){100}}%northeast double bond
+  \else\if\@tmpb T\relax%
+     \put(27,50){\line(1,1){100}}%
+     \put(40,37){\line(1,1){100}}%
+     \put(53,24){\line(1,1){100}}%northeast triple bond
+  \else\if\@tmpb A%(A) alpha
+    {\thicklines\put(40,47){\line(1,1){100}}}% single bond (alpha)
+  \else\if\@tmpb B%(B) beta
+       \@ifundefined{dottedline}{\put(40,47){\line(1,1){100}}}%
+         {{\thicklines \dottedline{20}(40,47)(140,147)}}%
+  \else\if\@tmpb S%
+       \put(40,47){\line(1,1){100}}%
+  \else \put(40,47){\line(1,1){100}}%
+  \fi\fi\fi\fi\fi%
+  \putratom{145}{137}{\@memberb}%==2 (northeast substituent)
+\end{picture}}%
+%    \end{macrocode}
+% \end{macro}
+%
+% \changes{v1.02}{1998/10/20}{Adding \cs{yl@xdiff} and \cs{yl@ydiff}}
+%
+% \begin{macro}{\SEBond}
+%    \begin{macrocode}
+\def\SEBond{%degree 120
+\yl@xdiff=-9
+\yl@ydiff=67
+\begin{picture}(100,300)(0,0)
+  \if\@tmpb D\relax%
+    \put(33,-48){\line(5,-3){121}}%
+    \put(47,-26){\line(5,-3){121}}%southeast double bond
+  \else\if\@tmpb T\relax%
+    \put(31,-52){\line(5,-3){121}}%
+    \put(40,-37){\line(5,-3){121}}%
+    \put(49,-22){\line(5,-3){121}}%southeast triple bond
+  \else\if\@tmpb A%(A) alpha
+    {\thicklines\put(40,-47){\line(5,-3){121}}}% single bond (alpha)
+  \else\if\@tmpb B%(B) beta
+       \@ifundefined{dottedline}{\put(40,-47){\line(5,-3){121}}}%
+         {{\thicklines \dottedline{20}(40,-47)(161,-120)}}%
+  \else\if\@tmpb S%
+       \put(40,-47){\line(5,-3){121}}%
+  \else \put(40,-47){\line(5,-3){121}}%
+  \fi\fi\fi\fi\fi%
+  \putratom{170}{-187}{\@memberb}%==2 (southeast substituent)
+\end{picture}}%
+%    \end{macrocode}
+% \end{macro}
+%
+% \changes{v1.02}{1998/10/20}{Adding \cs{yl@xdiff} and \cs{yl@ydiff}}
+%
+% \begin{macro}{\SEbond}
+%    \begin{macrocode}
+\def\SEbond{%degree 90
+\yl@xdiff=-5
+\yl@ydiff=56
+\begin{picture}(100,300)(0,0)
+  \if\@tmpb D\relax%
+     \put(31,-46){\line(1,-1){100}}%
+     \put(49,-28){\line(1,-1){100}}%southeast double bond
+  \else\if\@tmpb T\relax%
+     \put(27,-50){\line(1,-1){100}}%
+     \put(40,-37){\line(1,-1){100}}%
+     \put(53,-24){\line(1,-1){100}}%southeast triple bond
+  \else\if\@tmpb A%(A) alpha
+    {\thicklines\put(53,-47){\line(1,-1){100}}}% single bond (alpha)
+  \else\if\@tmpb B%(B) beta
+       \@ifundefined{dottedline}{\put(40,-47){\line(1,-1){100}}}%
+         {{\thicklines \dottedline{20}(40,-47)(140,-147)}}%
+  \else\if\@tmpb S%
+       \put(40,-47){\line(1,-1){100}}%
+  \else \put(40,-47){\line(1,-1){100}}%
+  \fi\fi\fi\fi\fi%
+ \putratom{145}{-203}{\@memberb}%==3 (southeast substituent)
+\end{picture}}%
+%    \end{macrocode}
+% \end{macro}
+%
+% \changes{v1.02}{1998/10/20}{Adding \cs{yl@xdiff} and \cs{yl@ydiff}}
+%
+% \begin{macro}{\NWBbond}
+%    \begin{macrocode}
+\def\NWBond{%
+\begin{picture}(100,300)(0,0)
+\yl@xdiff=9
+\yl@ydiff=13
+  \if\@tmpb D\relax%
+    \put(-59,48){\line(-5,3){121}}%
+    \put(-73,26){\line(-5,3){121}}%northwest double bond
+  \else\if\@tmpb T\relax%
+    \put(-57,52){\line(-5,3){121}}%
+    \put(-66,37){\line(-5,3){121}}%
+    \put(-75,22){\line(-5,3){121}}%northwest triple bond
+  \else\if\@tmpb A%(A) alpha
+    {\thicklines\put(-66,47){\line(-5,3){121}}}% single bond (alpha)
+  \else\if\@tmpb B%(B) beta
+       \@ifundefined{dottedline}{\put(-66,47){\line(-5,3){121}}}%
+         {{\thicklines \dottedline{20}(-66,47)(-187,120)}}%
+  \else\if\@tmpb S%
+       \put(-66,47){\line(-5,3){121}}%
+  \else \put(-66,47){\line(-5,3){121}}%
+  \fi\fi\fi\fi\fi%
+  \putlatom{-196}{107}{\@memberb}%==2 (northwest substituent)
+\end{picture}}%
+%    \end{macrocode}
+% \end{macro}
+%
+% \changes{v1.02}{1998/10/20}{Adding \cs{yl@xdiff} and \cs{yl@ydiff}}
+%
+% \begin{macro}{\NWbond}
+%    \begin{macrocode}
+\def\NWbond{%
+\begin{picture}(100,300)(0,0)
+\yl@xdiff=13
+\yl@ydiff=10
+  \if\@tmpb D\relax%
+     \put(-41,46){\line(-1,1){100}}%
+     \put(-59,28){\line(-1,1){100}}%northwest double bond
+  \else\if\@tmpb T\relax%
+     \put(-37,50){\line(-1,1){100}}%
+     \put(-50,37){\line(-1,1){100}}%
+     \put(-63,24){\line(-1,1){100}}%northwest triple bond
+  \else\if\@tmpb A%(A) alpha
+    {\thicklines\put(-50,47){\line(-1,1){100}}}% single bond (alpha)
+  \else\if\@tmpb B%(B) beta
+       \@ifundefined{dottedline}{\put(-50,47){\line(-1,1){100}}}%
+         {{\thicklines \dottedline{20}(-50,47)(-137,147)}}%
+  \else\if\@tmpb S%
+       \put(-50,47){\line(-1,1){100}}%
+  \else \put(-50,47){\line(-1,1){100}}%
+  \fi\fi\fi\fi\fi%
+  \putlatom{-163}{137}{\@memberb}%==2 (northwest substituent)
+\end{picture}}%
+%    \end{macrocode}
+% \end{macro}
+%
+% \changes{v1.02}{1998/10/20}{Adding \cs{yl@xdiff} and \cs{yl@ydiff}}
+%
+% \begin{macro}{\SWBond}
+%    \begin{macrocode}
+\def\SWBond{%
+\yl@xdiff=9
+\yl@ydiff=67
+\begin{picture}(100,300)(0,0)
+  \if\@tmpb D\relax%
+    \put(-59,-48){\line(-5,-3){121}}%
+    \put(-73,-26){\line(-5,-3){121}}%southwest double bond
+  \else\if\@tmpb T\relax%
+    \put(-57,-52){\line(-5,-3){121}}%
+    \put(-66,-37){\line(-5,-3){121}}%
+    \put(-75,-22){\line(-5,-3){121}}%southwest triple bond
+  \else\if\@tmpb A%(A) alpha
+    {\thicklines\put(-66,-47){\line(-5,-3){121}}}% single bond (alpha)
+  \else\if\@tmpb B%(B) beta
+       \@ifundefined{dottedline}{\put(-66,-47){\line(-5,-3){121}}}%
+         {{\thicklines \dottedline{20}(-66,-47)(-187,-120)}}%
+  \else\if\@tmpb S%
+       \put(-66,-47){\line(-5,-3){121}}%
+  \else \put(-66,-47){\line(-5,-3){121}}%
+  \fi\fi\fi\fi\fi%
+  \putlatom{-196}{-187}{\@memberb}%==2 (southwest substituent)
+\end{picture}}%
+%    \end{macrocode}
+% \end{macro}
+%
+% \changes{v1.02}{1998/10/20}{Adding \cs{yl@xdiff} and \cs{yl@ydiff}}
+%
+% \begin{macro}{\SWbond}
+%    \begin{macrocode}
+\def\SWbond{%
+\yl@xdiff=13
+\yl@ydiff=56
+\begin{picture}(100,300)(0,0)
+  \if\@tmpb D\relax%
+     \put(-41,-46){\line(-1,-1){100}}%
+     \put(-59,-28){\line(-1,-1){100}}%southwest double bond
+  \else\if\@tmpb T\relax%
+     \put(-37,-50){\line(-1,-1){100}}%
+     \put(-50,-37){\line(-1,-1){100}}%
+     \put(-63,-24){\line(-1,-1){100}}%southwest triple bond
+  \else\if\@tmpb A%(A) alpha
+    {\thicklines\put(-50,-47){\line(-1,-1){100}}}% single bond (alpha)
+  \else\if\@tmpb B%(B) beta
+       \@ifundefined{dottedline}{\put(-50,-47){\line(-1,-1){100}}}%
+         {{\thicklines \dottedline{20}(-50,-47)(-137,-147)}}%
+  \else\if\@tmpb S%
+       \put(-50,-47){\line(-1,-1){100}}%
+  \else \put(-50,-47){\line(-1,-1){100}}%
+  \fi\fi\fi\fi\fi%
+ \putlatom{-163}{-203}{\@memberb}%==3 (southwest substituent)
+\end{picture}}%
+%    \end{macrocode}
+% \end{macro}
+%
+% \changes{v1.02}{1998/10/20}{New command: \cs{NEBOND}}
+% \changes{v1.02}{1998/10/20}{Adding \cs{yl@xdiff} and \cs{yl@ydiff}}
+%
+% \begin{macro}{\NEBOND}
+%    \begin{macrocode}
+\def\NEBOND{%degree 120
+\yl@xdiff=-1
+\yl@ydiff=-10
+\begin{picture}(100,300)(0,0)
+  \if\@tmpb D\relax%
+    \put(48,33){\line(3,5){72}}%
+    \put(26,47){\line(3,5){72}}%northeast double bond
+  \else\if\@tmpb T\relax%
+    \put(52,31){\line(3,5){72}}%
+    \put(37,40){\line(3,5){72}}%
+    \put(22,49){\line(3,5){72}}%northeast triple bond
+  \else\if\@tmpb A%(A) alpha
+    {\thicklines\put(40,47){\line(3,5){72}}}% single bond (alpha)
+  \else\if\@tmpb B%(B) beta
+       \@ifundefined{dottedline}{\put(47,40){\line(3,5){72}}}%
+         {{\thicklines \dottedline{20}(47,40)(120,161)}}%
+  \else\if\@tmpb S%
+       \put(47,40){\line(3,5){72}}%
+  \else \put(47,40){\line(3,5){72}}%
+  \fi\fi\fi\fi\fi%
+  \putratom{120}{170}{\@memberb}%==2 (northeast substituent)
+\end{picture}}%
+%    \end{macrocode}
+% \end{macro}
+%
+% \changes{v1.02}{1998/10/20}{New command: \cs{SEBOND}}
+% \changes{v1.02}{1998/10/20}{Adding \cs{yl@xdiff} and \cs{yl@ydiff}}
+%
+% \begin{macro}{\SEBOND}
+%    \begin{macrocode}
+\def\SEBOND{%degree 120
+\yl@xdiff=-1
+\yl@ydiff=70
+\begin{picture}(100,300)(0,0)
+  \if\@tmpb D\relax%
+    \put(48,-33){\line(3,-5){72}}%
+    \put(26,-47){\line(3,-5){72}}%southeast double bond
+  \else\if\@tmpb T\relax%
+    \put(52,-31){\line(3,-5){72}}%
+    \put(37,-40){\line(3,-5){72}}%
+    \put(22,-49){\line(3,-5){72}}%southeast triple bond
+  \else\if\@tmpb A%(A) alpha
+    {\thicklines\put(47,-40){\line(3,-5){72}}}% single bond (alpha)
+  \else\if\@tmpb B%(B) beta
+       \@ifundefined{dottedline}{\put(47,-40){\line(3,-5){72}}}%
+         {{\thicklines \dottedline{20}(47,-40)(120,-161)}}%
+  \else\if\@tmpb S%
+       \put(47,-40){\line(3,-5){72}}%
+  \else \put(47,-40){\line(3,-5){72}}%
+  \fi\fi\fi\fi\fi%
+  \putratom{120}{-230}{\@memberb}%==2 (southeast substituent)
+\end{picture}}%
+%    \end{macrocode}
+% \end{macro}
+%
+% \changes{v1.02}{1998/10/20}{New command: \cs{NWBOND}}
+% \changes{v1.02}{1998/10/20}{Adding \cs{yl@xdiff} and \cs{yl@ydiff}}
+%
+% \begin{macro}{\NWBOND}
+%    \begin{macrocode}
+\def\NWBOND{%
+\yl@xdiff=1
+\yl@ydiff=-10
+\begin{picture}(100,300)(0,0)
+  \if\@tmpb D\relax%
+    \put(-48,33){\line(-3,5){72}}%
+    \put(-26,47){\line(-3,5){72}}%northwest double bond
+  \else\if\@tmpb T\relax%
+    \put(-52,31){\line(-3,5){72}}%
+    \put(-37,40){\line(-3,5){72}}%
+    \put(-22,49){\line(-3,5){72}}%northwest triple bond
+  \else\if\@tmpb A%(A) alpha
+    {\thicklines\put(-40,47){\line(-3,5){72}}}% single bond (alpha)
+  \else\if\@tmpb B%(B) beta
+       \@ifundefined{dottedline}{\put(-47,40){\line(-3,5){72}}}%
+         {{\thicklines \dottedline{20}(-47,40)(-120,161)}}%
+  \else\if\@tmpb S%
+       \put(-47,40){\line(-3,5){72}}%
+  \else \put(-47,40){\line(-3,5){72}}%
+  \fi\fi\fi\fi\fi%
+  \putlatom{-120}{170}{\@memberb}%==2 (northwest substituent)
+%\yl@xdiff=11
+%\yl@ydiff=-14
+%  \if\@tmpb D\relax%
+%    \put(-48,59){\line(-3,5){72}}%
+%    \put(-26,73){\line(-3,5){72}}%northwest double bond
+%  \else\if\@tmpb T\relax%
+%    \put(-52,57){\line(-3,5){72}}%
+%    \put(-37,66){\line(-3,5){72}}%
+%    \put(-22,75){\line(-3,5){72}}%northwest triple bond
+%  \else\if\@tmpb A%(A) alpha
+%    {\thicklines\put(-47,66){\line(-3,5){72}}}% single bond (alpha)
+%  \else\if\@tmpb B%(B) beta
+%       \@ifundefined{dottedline}{\put(-47,66){\line(-3,5){72}}}%
+%         {{\thicklines \dottedline{20}(-47,66)(-120,187)}}%
+%  \else\if\@tmpb S%
+%       \put(-47,66){\line(-3,5){72}}%
+%  \else \put(-47,66){\line(-3,5){72}}%
+%  \fi\fi\fi\fi\fi%
+%  \putlatom{-130}{200}{\@memberb}%==2 (northwest substituent)
+%%  \putlatom{-120}{170}{\@memberb}%==2 (northwest substituent)
+\end{picture}}%
+%    \end{macrocode}
+% \end{macro}
+%
+% \changes{v1.02}{1998/10/20}{New command: \cs{SWBOND}}
+% \changes{v1.02}{1998/10/20}{Adding \cs{yl@xdiff} and \cs{yl@ydiff}}
+%
+% \begin{macro}{\SWBOND}
+%    \begin{macrocode}
+\def\SWBOND{%
+\yl@xdiff=1
+\yl@ydiff=70
+\begin{picture}(100,300)(0,0)
+  \if\@tmpb D\relax%
+    \put(-48,-33){\line(-3,-5){72}}%
+    \put(-26,-47){\line(-3,-5){72}}%southwest double bond
+  \else\if\@tmpb T\relax%
+    \put(-52,-31){\line(-3,-5){72}}%
+    \put(-37,-40){\line(-3,-5){72}}%
+    \put(-22,-49){\line(-3,-5){72}}%southwest triple bond
+  \else\if\@tmpb A%(A) alpha
+    {\thicklines\put(-47,-40){\line(-3,-5){72}}}% single bond (alpha)
+  \else\if\@tmpb B%(B) beta
+       \@ifundefined{dottedline}{\put(-47,-40){\line(-3,-5){72}}}%
+         {{\thicklines \dottedline{20}(-47,-40)(-120,-161)}}%
+  \else\if\@tmpb S%
+       \put(-47,-40){\line(-3,-5){72}}%
+  \else \put(-47,-40){\line(-3,-5){72}}%
+  \fi\fi\fi\fi\fi%
+  \putlatom{-120}{-230}{\@memberb}%==2 (southwest substituent)
+\end{picture}}%
+%    \end{macrocode}
+% \end{macro}
+%
+% \section{Tetrahedral unit}
+%
+% The macro |\tetrahedral| typesets a compound of tetravalency. 
+% The following numbering is adopted in this macro. 
+%
+% \begin{verbatim}
+% ********************
+% * tetrahedral unit *
+% ********************
+%
+%                1
+%
+%                |
+%          2  -- 0 --  4       0 <== the original point
+%                |
+%
+%                3
+% \end{verbatim}
+% 
+%  This macro has an argument |SUBSLIST| as well as an optional 
+% argument |AUXLIST|. 
+%
+% \begin{verbatim}
+%   \tetrahedral[AUXLIST]{SUBSLIST}
+% \end{verbatim}
+%
+% The arugument |AUXLIST| designates an character on the central 
+% atom of the formula drawn by this macro.  It can be used a plus 
+% or minus charge on the center.
+%
+% \begin{verbatim}
+%     AUXLIST = 
+%
+%        {0+} :  + charge (or another one chararacter) on the center
+% \end{verbatim}
+%
+% The arugument |SUBLIST| designates a set of substitutients. 
+%
+% \begin{verbatim}
+%     SUBSLIST: list of substituents
+%
+%       for n = 1 to 4 
+%
+%           nT         :  triple bond at n-atom 
+%           nD         :  double bond at n-atom 
+%           n or nS    :  single bond at n-atom
+%           nA         :  alpha single bond at n-atom
+%           nB         :  beta single bond at n-atom
+%
+%       for 0          :  cetral atom (e.g. 0==C)
+% \end{verbatim}
+%
+% \begin{verbatim}
+%       e.g. 
+%        
+%        \tetrahedral{1==Cl;2==F}
+%        \tetrahedral{1==Cl;4==F;2==CH$_{3}$}
+% \end{verbatim}
+% \changes{v1.02}{1998/10/31}{Adding \cs{yltetrahedralposition}, 
+% \cs{if@ylsw}, \cs{yl@shifti}, \cs{@ylii}, \cs{yl@shiftii}, \cs{@ylii}, 
+% \cs{yl@xdiff} and \cs{yl@ydiff}}
+%
+% \begin{macro}{\tetrahedral}
+% \begin{macro}{\@tetrahedral}
+%    \begin{macrocode}
+\def\tetrahedral{\@ifnextchar[{\@tetrahedral[r}{\@tetrahedral[r]}}
+\def\@tetrahedral#1]#2{%
+%\def\tetrahedral{\@ifnextchar[{\@tetrahedral}{\@tetrahedral[]}}
+%\def\@tetrahedral[#1]#2{%
+\@reset@ylsw%
+\yltetrahedralposition{#2}%
+\if@ylsw \ifx\@@ylii\empty
+\def\@@ylii{0}\def\@@yli{0}\fi
+\fi
+\if@ylsw
+ \yl@shiftii=\@ylii
+ \yl@shifti=\@yli
+ \advance\yl@shiftii\@@ylii
+ \advance\yl@shifti\@@yli
+ \advance\yl@shiftii\yl@xdiff
+ \advance\yl@shifti\yl@ydiff
+ \begin{picture}(0,0)(-\yl@shiftii,-\yl@shifti)
+ \reset@yl@xydiff%1999/1/6 by S. Fujita
+\else
+ \begin{picture}(600,600)(-300,-300)%
+  \iforigpt \put(-300,-300){\circle*{50}}%
+           \put(-\noshift,-\noshift){\circle{50}}% 
+   \typeout{command `tetrahedral' origin: %
+    (\the\noshift,\the\noshift) ---> (300,300)}\fi%
+\fi
+\@tfor\member:=#1\do{%
+   \expandafter\twoch@@r\member{}{}%
+   \if\@@tmpa 0\relax {\putratom{47}{50}{\scriptsize\@@tmpb}}\fi}%
+\@forsemicol\member:=#2\do{
+\ifx\member\empty\else
+\expandafter\@m@mb@r\member;\relax%
+\expandafter\threech@r\@membera{}{}%
+\ifx\@memberb\@yl\else
+\ifcase\@tmpa
+{\putlratom{-40}{-33}{\hbox to.72em{\hss\@memberb\hss}}}%central atom
+\or\put(0,0){\Northbond}%
+\or\put(0,0){\Westbond}%
+\or\put(0,0){\Southbond}%
+\or\put(0,0){\Eastbond}\fi%end of ifcase
+\fi\fi}%
+\end{picture}}%end of macro tetrahedral
+%    \end{macrocode}
+% \end{macro}
+% \end{macro}
+%
+% The command |\yltetrahedralposition| is used in 
+% |\tetrahedral| to adjust a substitution position. 
+% \changes{v1.02}{1998/10/20}{Newly added command: 
+% \cs{yltetrahedralposition}}
+%
+% \begin{macro}{\yltetrahedralposition}
+%    \begin{macrocode}
+\def\yltetrahedralposition#1{%
+\@@ylswfalse%%%\@reset@ylsw
+\@forsemicol\member:=#1\do{%
+\if@@ylsw\else
+\ifx\member\empty\else
+\expandafter\@m@mb@r\member;\relax
+\expandafter\threech@r\@membera{}{}\relax
+\ifx\@memberb\@yl\relax\@@ylswtrue\else\@@ylswfalse\fi
+\if@@ylsw
+\ifcase\@tmpa
+ \or \gdef\@ylii{0}\gdef\@yli{-52}\global\@ylswtrue%N subst. on 1
+ \or \gdef\@ylii{52}\gdef\@yli{0}\global\@ylswtrue%W subst. on 1
+ \or \gdef\@ylii{0}\gdef\@yli{52}\global\@ylswtrue%S subst. on 1
+ \or \gdef\@ylii{-52}\gdef\@yli{0}\global\@ylswtrue%E subst. on 1
+\fi%end of ifcase
+\fi\fi\fi}}%
+%    \end{macrocode}
+% \end{macro}
+
+% \section{Divalenth unit}
+%
+% The command |\divalenth| produces a length-variable divalent unit.
+% \changes{v2.00}{1998/12/14}{New command: \cs{divalenth}} 
+%
+% \begin{verbatim}
+% ******************
+% * Divalenth unit *
+% ******************
+%
+%               
+%
+%          1  -- (group) --  2       0 <== the original point
+%
+% \end{verbatim}
+% 
+%  This macro has an argument |SUBSLIST| as well as an optional 
+% argument |GROUP|. 
+%
+% \begin{verbatim}
+%   \divalenth{GROUP}{SUBSLIST}
+% \end{verbatim}
+%
+% The arugument |GROUP| designates a character strings representing 
+% a divalent group.  The locant number is fixed to be zero. 
+%
+% The arugument |SUBLIST| designates a set of substitutients. 
+%
+% \begin{verbatim}
+%     SUBSLIST: list of substituents
+%
+%       for n = 1 to 4 
+%
+%           nT         :  triple bond at n-atom 
+%           nD         :  double bond at n-atom 
+%           n or nS    :  single bond at n-atom
+%           nA         :  alpha single bond at n-atom
+%           nB         :  beta single bond at n-atom
+%
+%       for 0          :  cetral atom (e.g. 0==C)
+% \end{verbatim}
+%
+%
+% \begin{macro}{\divalenth}
+%    \begin{macrocode}
+\def\divalenth#1#2{%
+\@reset@ylsw%
+\yldivalenthposition{#1}{#2}%
+\if@ylsw \ifx\@@ylii\empty
+\def\@@ylii{0}\def\@@yli{0}\fi
+\fi
+\if@ylsw
+ \yl@shiftii=\@ylii
+ \yl@shifti=\@yli
+ \advance\yl@shiftii\@@ylii
+ \advance\yl@shifti\@@yli
+ \advance\yl@shiftii\yl@xdiff
+ \advance\yl@shifti\yl@ydiff
+ \begin{picture}(0,0)(-\yl@shiftii,-\yl@shifti)
+ \reset@yl@xydiff%1999/1/6 by S. Fujita
+\else
+ \begin{picture}(600,400)(-300,-200)%
+  \iforigpt \put(-300,-200){\circle*{50}}%
+           \put(-\noshift,-\noshift){\circle{50}}% 
+   \typeout{command `tetrahedral' origin: %
+    (\the\noshift,\the\noshift) ---> (300,200)}\fi%
+\fi
+{\expandafter\@m@mb@r#1;\relax
+   \putratom{-30}{-33}{\@memberb}}%
+\@forsemicol\member:=#2\do{%
+\ifx\member\empty\else
+\expandafter\@m@mb@r\member;\relax%
+\expandafter\threech@r\@membera{}{}%
+\ifx\@memberb\@yl\else
+\ifcase\@tmpa
+\or\put(0,0){\Westbond}%
+\or\put(\the\@tempcnta,0){\Eastbond}\fi%end of ifcase
+\fi\fi}%
+\end{picture}}%end of macro tetrahedral
+%    \end{macrocode}
+% \end{macro}
+%
+% The command |\yldivalenthposition| is used in 
+% |\tetrahedral| to adjust a substitution position. 
+% \changes{v2.00}{1998/12/14}{Newly added command: 
+% \cs{yldivalenthposition}}
+%
+% \begin{macro}{\yldivalenthposition}
+%    \begin{macrocode}
+\def\yldivalenthposition#1#2{%
+{\expandafter\@m@mb@r#1;\relax
+   \setbox0=\hbox{\@memberb}%
+   \@tempcnta=\wd0
+   \@tempcntb=\unitlength
+   \divide\@tempcnta by\@tempcntb
+   \global\advance\@tempcnta by-62%
+   \@tempcntb=\@tempcnta \global\advance\@tempcntb by50\relax
+   }%
+\@@ylswfalse%
+\@forsemicol\member:=#2\do{%
+\if@@ylsw\else
+\ifx\member\empty\else
+\expandafter\@m@mb@r\member;\relax
+\expandafter\threech@r\@membera{}{}\relax
+\ifx\@memberb\@yl\relax\@@ylswtrue\else\@@ylswfalse\fi
+\if@@ylsw
+\ifcase\@tmpa
+ \or \gdef\@ylii{50}\gdef\@yli{0}\global\@ylswtrue%W subst. on 1
+ \or \edef\@ylii{-\the\@tempcntb}\gdef\@yli{0}\global\@ylswtrue%E subst. on 1
+\fi%end of ifcase
+\fi\fi\fi}}%
+%    \end{macrocode}
+% \end{macro}
+%
+% \section{Trigonal unit}
+% \subsection{Right-hand trigonal unit (narrow type)}
+%
+% The macro |\rtrigonal| typesets a compound of trivalency. 
+% The following numbering is adopted in this macro. 
+% The two right-hand bonds form an angle of 90$^{\circ}$ (narrow type), 
+% while the left-hand bond is typeset horizontally.  
+%
+% \begin{verbatim}
+% *************************
+% * trigonal unit (right) *
+% *************************
+%
+%                      3
+%                    /
+%                  /
+%         1  --- 0  90      0 <== the original point
+%                 `
+%                   `
+%                     2
+% \end{verbatim}
+%
+%  This macro has an argument |SUBSLIST| as well as an optional 
+% argument |AUXLIST|. 
+%
+% \begin{verbatim}
+%   \rtrigonal[AUXLIST]{SUBSLIST}
+% \end{verbatim}
+%
+% The arugument |AUXLIST| designates an character on the central 
+% atom of the formula drawn by this macro.  It can be used a plus 
+% or minus charge on the center.
+%
+% \begin{verbatim}
+%     AUXLIST = 
+%
+%       {0+}:  + charge (or another one chararacter) on the center
+% \end{verbatim}
+%
+% The arugument |SUBLIST| designates a set of substitutients. 
+%
+% \begin{verbatim}
+%     SUBSLIST: list of substituents
+%
+%       for n = 1 to 3 
+%
+%           nT         :  triple bond at n-atom 
+%           nD         :  double bond at n-atom 
+%           n or nS    :  single bond at n-atom
+%           nA         :  alpha single bond at n-atom
+%           nB         :  beta single bond at n-atom
+%
+%       for 0          :  cetral atom (e.g. 0==C)
+% \end{verbatim}
+%
+% \begin{verbatim}
+%       e.g. 
+%        
+%        \rtrigonal{1==Cl;2==F}
+%        \rtrigonal{1==Cl;4==F;2==CH$_{3}$}
+% \end{verbatim}
+%
+% \changes{v1.02}{1998/10/31}{Adding \cs{ylrtrigonalposition}, 
+% \cs{if@ylsw}, \cs{yl@shifti}, \cs{@ylii}, \cs{yl@shiftii}, \cs{@ylii}, 
+% \cs{yl@xdiff} and \cs{yl@ydiff}}
+%
+% \begin{macro}{\rtrigonal}
+% \begin{macro}{\@rtrigonal}
+%    \begin{macrocode}
+\def\rtrigonal{\@ifnextchar[{\@rtrigonal[r}{\@rtrigonal[r]}}
+\def\@rtrigonal#1]#2{%
+\@reset@ylsw%
+\ylrtrigonalposition{#2}%
+\if@ylsw \ifx\@@ylii\empty
+\def\@@ylii{0}\def\@@yli{0}\fi
+\fi
+\if@ylsw
+ \yl@shiftii=\@ylii
+ \yl@shifti=\@yli
+ \advance\yl@shiftii\@@ylii
+ \advance\yl@shifti\@@yli
+ \advance\yl@shiftii\yl@xdiff
+ \advance\yl@shifti\yl@ydiff
+ \begin{picture}(0,0)(-\yl@shiftii,-\yl@shifti)
+ \reset@yl@xydiff%1999/1/6 by S. Fujita
+\else
+\begin{picture}(600,600)(-300,-300)%
+  \iforigpt \put(-300,-300){\circle*{50}}%
+           \put(-\noshift,-\noshift){\circle{50}}% 
+   \typeout{command `rtrigonal' origin: %
+    (\the\noshift,\the\noshift) ---> (300,300)}\fi%
+\fi
+\@tfor\member:=#1\do{%
+   \expandafter\twoch@@r\member{}{}%
+   \if\@@tmpa 0\relax {\putratom{-27}{50}{\scriptsize\@@tmpb}}\fi}%
+\@forsemicol\member:=#2\do{%
+\ifx\member\empty\else
+\expandafter\@m@mb@r\member;\relax%
+\expandafter\threech@r\@membera{}{}%
+\ifx\@memberb\@yl\else
+\ifcase\@tmpa {\putlratom{-40}{-33}{\@memberb}}%central atom
+\or\put(0,0){\Westbond}%
+\or\put(0,0){\SEbond}%
+\or\put(0,0){\NEbond}%
+\fi%end of ifcase
+\fi\fi}%
+\end{picture}}%end of macro rtrigonal
+%    \end{macrocode}
+% \end{macro}
+% \end{macro}
+%
+% The command |\ylrtrigonalposition| is used in 
+% |\rtrigonal| to adjust a substitution position. 
+% \changes{v1.02}{1998/10/20}{Newly added command: 
+% \cs{ylrtrigonalposition}}
+%
+% \begin{macro}{\ylrtrigonalposition}
+%    \begin{macrocode}
+\def\ylrtrigonalposition#1{%
+\@@ylswfalse%%%\@reset@ylsw
+\@forsemicol\member:=#1\do{%
+\if@@ylsw\else
+\ifx\member\empty\else
+\expandafter\@m@mb@r\member;\relax
+\expandafter\threech@r\@membera{}{}\relax
+\ifx\@memberb\@yl\relax\@@ylswtrue\else\@@ylswfalse\fi
+\if@@ylsw
+\ifcase\@tmpa
+ \or \gdef\@ylii{52}\gdef\@yli{0}\global\@ylswtrue% W subst. on 1
+ \or \gdef\@ylii{-40}\gdef\@yli{47}\global\@ylswtrue% SE subst. on 1
+ \or \gdef\@ylii{-40}\gdef\@yli{-47}\global\@ylswtrue% NE subst. on 1
+\fi%end of ifcase
+\fi\fi\fi}}%
+%    \end{macrocode}
+% \end{macro}
+%
+% \subsection{Right-hand trigonal unit (broad type)}
+%
+% The macro |\Rtrigonal| typesets a compound of trivalency. 
+% The following numbering is adopted in this macro. 
+% The two right-hand bonds form an angle of 120$^{\circ}$ (broad type), 
+% while the left-hand bond is typeset horizontally.  
+% \changes{v1.02}{1998/10/20}{New command: \cs{Rtrigonal}}
+%
+% \begin{verbatim}
+% *************************
+% * trigonal unit (right) *
+% *************************
+%
+%                      3
+%                    /
+%                  /
+%         1  --- 0  120      0 <== the original point
+%                 `
+%                   `
+%                     2
+% \end{verbatim}
+%
+%  This macro has an argument |SUBSLIST| as well as an optional 
+% argument |AUXLIST|. 
+%
+% \begin{verbatim}
+%   \rtrigonal[AUXLIST]{SUBSLIST}
+% \end{verbatim}
+%
+% The arugument |AUXLIST| designates an character on the central 
+% atom of the formula drawn by this macro.  It can be used a plus 
+% or minus charge on the center.
+%
+% \begin{verbatim}
+%     AUXLIST = 
+%
+%       {0+}:  + charge (or another one chararacter) on the center
+% \end{verbatim}
+%
+% The arugument |SUBLIST| designates a set of substitutients. 
+%
+% \begin{verbatim}
+%     SUBSLIST: list of substituents
+%
+%       for n = 1 to 3 
+%
+%           nT         :  triple bond at n-atom 
+%           nD         :  double bond at n-atom 
+%           n or nS    :  single bond at n-atom
+%           nA         :  alpha single bond at n-atom
+%           nB         :  beta single bond at n-atom
+%
+%       for 0          :  cetral atom (e.g. 0==C)
+% \end{verbatim}
+%
+% \begin{verbatim}
+%       e.g. 
+%        
+%        \rtrigonal{1==Cl;2==F}
+%        \rtrigonal{1==Cl;4==F;2==CH$_{3}$}
+% \end{verbatim}
+%
+% \changes{v1.02}{1998/10/31}{Adding \cs{ylRtrigonalposition}, 
+% \cs{if@ylsw}, \cs{yl@shifti}, \cs{@ylii}, \cs{yl@shiftii}, \cs{@ylii}, 
+% \cs{yl@xdiff} and \cs{yl@ydiff}}
+%
+% \begin{macro}{\Rtrigonal}
+% \begin{macro}{\@Rtrigonal}
+%    \begin{macrocode}
+\def\Rtrigonal{\@ifnextchar[{\@Rtrigonal[r}{\@Rtrigonal[r]}}
+\def\@Rtrigonal#1]#2{%
+\@reset@ylsw%
+\ylRtrigonalposition{#2}%
+\if@ylsw \ifx\@@ylii\empty
+\def\@@ylii{0}\def\@@yli{0}\fi
+\fi
+\if@ylsw
+ \yl@shiftii=\@ylii
+ \yl@shifti=\@yli
+ \advance\yl@shiftii\@@ylii
+ \advance\yl@shifti\@@yli
+ \advance\yl@shiftii\yl@xdiff
+ \advance\yl@shifti\yl@ydiff
+ \begin{picture}(0,0)(-\yl@shiftii,-\yl@shifti)
+ \reset@yl@xydiff%1999/1/6 by S. Fujita
+\else
+\begin{picture}(600,600)(-300,-300)%
+  \iforigpt \put(-300,-300){\circle*{50}}%
+           \put(-\noshift,-\noshift){\circle{50}}% 
+   \typeout{command `Rtrigonal' origin: %
+    (\the\noshift,\the\noshift) ---> (300,300)}\fi%
+\fi
+\@tfor\member:=#1\do{%
+   \expandafter\twoch@@r\member{}{}%
+   \if\@@tmpa 0\relax {\putratom{-27}{50}{\scriptsize\@@tmpb}}\fi}%
+\@forsemicol\member:=#2\do{%
+\ifx\member\empty\else
+\expandafter\@m@mb@r\member;\relax%
+\expandafter\threech@r\@membera{}{}%
+\ifx\@memberb\@yl\else
+\ifcase\@tmpa {\putlratom{-40}{-33}{\@memberb}}%central atom
+\or\put(0,0){\Westbond}%
+\or\put(0,0){\SEBOND}%
+\or\put(0,0){\NEBOND}%
+\fi%end of ifcase
+\fi\fi}%
+\end{picture}}%end of macro Rtrigonal
+%    \end{macrocode}
+% \end{macro}
+% \end{macro}
+%
+% The command |\ylRtrigonalposition| is used in 
+% |\Rtrigonal| to adjust a substitution position. 
+% \changes{v1.02}{1998/10/20}{Newly added command: 
+% \cs{ylRtrigonalposition}}
+%
+% \begin{macro}{\ylRtrigonalposition}
+%    \begin{macrocode}
+\def\ylRtrigonalposition#1{%
+\@@ylswfalse%%%\@reset@ylsw
+\@forsemicol\member:=#1\do{%
+\if@@ylsw\else
+\ifx\member\empty\else
+\expandafter\@m@mb@r\member;\relax
+\expandafter\threech@r\@membera{}{}\relax
+\ifx\@memberb\@yl\relax\@@ylswtrue\else\@@ylswfalse\fi
+\if@@ylsw
+\ifcase\@tmpa
+ \or \gdef\@ylii{52}\gdef\@yli{0}\global\@ylswtrue% W subst. on 1
+ \or \gdef\@ylii{-47}\gdef\@yli{40}\global\@ylswtrue% SE subst. on 1
+ \or \gdef\@ylii{-47}\gdef\@yli{-40}\global\@ylswtrue% NE subst. on 1
+\fi%end of ifcase
+\fi\fi\fi}}%
+%    \end{macrocode}
+% \end{macro}
+%
+% \subsection{Left-hand trigonal unit (narrow type)}
+%
+% The macro |\ltrigonal| typesets a compound of trivalency. 
+% The following numbering is adopted in this macro. 
+% The two left-hand bonds form an angle of 90$^{\circ}$ (narrow type), 
+% while the right-hand bond is typeset horizontally.  
+%
+% \begin{verbatim}
+% ************************
+% * trigonal unit (left) *
+% ************************
+%
+%         2
+%           ` 
+%             `
+%          90   0 --- 1       0 <== the original point
+%             /
+%           /
+%         3
+% \end{verbatim}
+%
+%  This macro has an argument |SUBSLIST| as well as an optional 
+% argument |AUXLIST|. 
+%
+% \begin{verbatim}
+%   \ltrigonal[AUXLIST]{SUBSLIST}          
+% \end{verbatim}
+%
+% The arugument |AUXLIST| designates an character on the central 
+% atom of the formula drawn by this macro.  It can be used a plus 
+% or minus charge on the center.
+%
+% \begin{verbatim}
+%     AUXLIST = 
+%
+%      {0+} :  + charge (or another one chararacter) on the center
+% \end{verbatim}
+%
+% The arugument |SUBLIST| designates a set of substitutients. 
+%
+% \begin{verbatim}
+%     SUBSLIST: list of substituents
+%
+%       for n = 1 to 3 
+%
+%           nT         :  triple bond at n-atom 
+%           nD         :  double bond at n-atom 
+%           n or nS    :  single bond at n-atom
+%           nA         :  alpha single bond at n-atom
+%           nB         :  beta single bond at n-atom
+%
+%       for 0          :  cetral atom (e.g. 0==C)
+% \end{verbatim}
+%
+% \begin{verbatim}
+%       e.g. 
+%        
+%        \ltrigonal{1==Cl;2==F}
+%        \ltrigonal{1==Cl;4==F;2==CH$_{3}$}
+% \end{verbatim}
+% \changes{v1.02}{1998/10/31}{Adding \cs{ylltrigonalposition}, 
+% \cs{if@ylsw}, \cs{yl@shifti}, \cs{@ylii}, \cs{yl@shiftii}, \cs{@ylii}, 
+% \cs{yl@xdiff} and \cs{yl@ydiff}}
+%
+% \begin{macro}{\ltrigonal}
+% \begin{macro}{\@ltrigonal}
+%    \begin{macrocode}
+\def\ltrigonal{\@ifnextchar[{\@ltrigonal[r}{\@ltrigonal[r]}}
+\def\@ltrigonal#1]#2{%
+\@reset@ylsw%
+\ylltrigonalposition{#2}%
+\if@ylsw \ifx\@@ylii\empty
+\def\@@ylii{0}\def\@@yli{0}\fi
+\fi
+\if@ylsw
+ \yl@shiftii=\@ylii
+ \yl@shifti=\@yli
+ \advance\yl@shiftii\@@ylii
+ \advance\yl@shifti\@@yli
+ \advance\yl@shiftii\yl@xdiff
+ \advance\yl@shifti\yl@ydiff
+ \begin{picture}(0,0)(-\yl@shiftii,-\yl@shifti)
+ \reset@yl@xydiff%1999/1/6 by S. Fujita
+\else
+ \begin{picture}(600,600)(-300,-300)%
+  \iforigpt \put(-300,-300){\circle*{50}}%
+           \put(-\noshift,-\noshift){\circle{50}}% 
+   \typeout{command `ltrigonal' origin: %
+    (\the\noshift,\the\noshift) ---> (300,300)}\fi%
+\fi
+\@tfor\member:=#1\do{%
+   \expandafter\twoch@@r\member{}{}%
+   \if\@@tmpa 0\relax {\putratom{-27}{50}{\scriptsize\@@tmpb}}\fi}%
+\@forsemicol\member:=#2\do{%
+\ifx\member\empty\else
+\expandafter\@m@mb@r\member;\relax%
+\expandafter\threech@r\@membera{}{}%
+\ifx\@memberb\@yl\else
+\ifcase\@tmpa 
+{\putlratom{-40}{-33}{\@memberb}}%central atom
+\or\put(0,0){\Eastbond}%
+\or\put(0,0){\NWbond}%
+\or\put(0,0){\SWbond}%
+\fi%end of ifcase
+\fi\fi}%
+\end{picture}}%end of macro ltrigonal
+%    \end{macrocode}
+% \end{macro}
+% \end{macro}
+%
+% The command |\ylltrigonalposition| is used in 
+% |\ltrigonal| to adjust a substitution position. 
+% \changes{v1.02}{1998/10/20}{Newly added command: 
+% \cs{ylltrigonalposition}}
+%
+% \begin{macro}{\ylltrigonalposition}
+%    \begin{macrocode}
+\def\ylltrigonalposition#1{%
+\@@ylswfalse%%%\@reset@ylsw
+\@forsemicol\member:=#1\do{%
+\if@@ylsw\else
+\ifx\member\empty\else
+\expandafter\@m@mb@r\member;\relax
+\expandafter\threech@r\@membera{}{}\relax
+\ifx\@memberb\@yl\relax\@@ylswtrue\else\@@ylswfalse\fi
+\if@@ylsw
+\ifcase\@tmpa
+ \or \gdef\@ylii{-52}\gdef\@yli{0}\global\@ylswtrue% W subst. on 1
+ \or \gdef\@ylii{50}\gdef\@yli{-47}\global\@ylswtrue% NW subst. on 1
+ \or \gdef\@ylii{50}\gdef\@yli{47}\global\@ylswtrue% SW subst. on 1
+\fi%end of ifcase
+\fi\fi\fi}}%
+%    \end{macrocode}
+% \end{macro}
+%
+% \subsection{Left-hand trigonal unit (broad type)}
+%
+% The macro |\Ltrigonal| typesets a compound of trivalency. 
+% The following numbering is adopted in this macro. 
+% The two left-hand bonds form an angle of 120$^{\circ}$ (broad type), 
+% while the right-hand bond is typeset horizontally.  
+% \changes{v1.02}{1998/10/20}{New command: \cs{Ltrigonal}}
+%
+% \begin{verbatim}
+% ************************
+% * trigonal unit (left) *
+% ************************
+%
+%         2
+%           ` 
+%             `
+%         120   0 --- 1       0 <== the original point
+%             /
+%           /
+%         3
+% \end{verbatim}
+%
+%  This macro has an argument |SUBSLIST| as well as an optional 
+% argument |AUXLIST|. 
+%
+% \begin{verbatim}
+%   \ltrigonal[AUXLIST]{SUBSLIST}          
+% \end{verbatim}
+%
+% The arugument |AUXLIST| designates an character on the central 
+% atom of the formula drawn by this macro.  It can be used a plus 
+% or minus charge on the center.
+%
+% \begin{verbatim}
+%     AUXLIST = 
+%
+%      {0+} :  + charge (or another one chararacter) on the center
+% \end{verbatim}
+%
+% The arugument |SUBLIST| designates a set of substitutients. 
+%
+% \begin{verbatim}
+%     SUBSLIST: list of substituents
+%
+%       for n = 1 to 3 
+%
+%           nT         :  triple bond at n-atom 
+%           nD         :  double bond at n-atom 
+%           n or nS    :  single bond at n-atom
+%           nA         :  alpha single bond at n-atom
+%           nB         :  beta single bond at n-atom
+%
+%       for 0          :  cetral atom (e.g. 0==C)
+% \end{verbatim}
+%
+% \begin{verbatim}
+%       e.g. 
+%        
+%        \Ltrigonal{1==Cl;2==F}
+%        \Ltrigonal{1==Cl;4==F;2==CH$_{3}$}
+% \end{verbatim}
+% \changes{v1.02}{1998/10/31}{Adding \cs{ylLtrigonalposition}, 
+% \cs{if@ylsw}, \cs{yl@shifti}, \cs{@ylii}, \cs{yl@shiftii}, \cs{@ylii}, 
+% \cs{yl@xdiff} and \cs{yl@ydiff}}
+%
+% \begin{macro}{\Ltrigonal}
+% \begin{macro}{\@Ltrigonal}
+%    \begin{macrocode}
+\def\Ltrigonal{\@ifnextchar[{\@Ltrigonal[r}{\@Ltrigonal[r]}}
+\def\@Ltrigonal#1]#2{%
+\@reset@ylsw%
+\ylLtrigonalposition{#2}%
+\if@ylsw \ifx\@@ylii\empty
+\def\@@ylii{0}\def\@@yli{0}\fi
+\fi
+\if@ylsw
+ \yl@shiftii=\@ylii
+ \yl@shifti=\@yli
+ \advance\yl@shiftii\@@ylii
+ \advance\yl@shifti\@@yli
+ \advance\yl@shiftii\yl@xdiff
+ \advance\yl@shifti\yl@ydiff
+ \begin{picture}(0,0)(-\yl@shiftii,-\yl@shifti)
+ \reset@yl@xydiff%1999/1/6 by S. Fujita
+\else
+ \begin{picture}(600,600)(-300,-300)%
+  \iforigpt \put(-300,-300){\circle*{50}}%
+           \put(-\noshift,-\noshift){\circle{50}}% 
+   \typeout{command `Ltrigonal' origin: %
+    (\the\noshift,\the\noshift) ---> (300,300)}\fi%
+\fi
+\@tfor\member:=#1\do{%
+   \expandafter\twoch@@r\member{}{}%
+   \if\@@tmpa 0\relax {\putratom{-27}{50}{\scriptsize\@@tmpb}}\fi}%
+\@forsemicol\member:=#2\do{%
+\ifx\member\empty\else
+\expandafter\@m@mb@r\member;\relax%
+\expandafter\threech@r\@membera{}{}%
+\ifx\@memberb\@yl\else
+\ifcase\@tmpa 
+{\putlratom{-40}{-33}{\@memberb}}%central atom
+\or\put(0,0){\Eastbond}%
+\or\put(0,0){\NWBOND}%
+\or\put(0,0){\SWBOND}%
+\fi%end of ifcase
+\fi\fi}%
+\end{picture}}%end of macro Ltrigonal
+%    \end{macrocode}
+% \end{macro}
+% \end{macro}
+%
+% The command |\ylLtrigonalposition| is used in 
+% |\Ltrigonal| to adjust a substitution position. 
+% \changes{v1.02}{1998/10/20}{Newly added command: 
+% \cs{ylLtrigonalposition}}
+%
+% \begin{macro}{\ylLtrigonalposition}
+%    \begin{macrocode}
+\def\ylLtrigonalposition#1{%
+\@@ylswfalse%%%\@reset@ylsw
+\@forsemicol\member:=#1\do{%
+\if@@ylsw\else
+\ifx\member\empty\else
+\expandafter\@m@mb@r\member;\relax
+\expandafter\threech@r\@membera{}{}\relax
+\ifx\@memberb\@yl\relax\@@ylswtrue\else\@@ylswfalse\fi
+\if@@ylsw
+\ifcase\@tmpa
+ \or \gdef\@ylii{-52}\gdef\@yli{0}\global\@ylswtrue% W subst. on 1
+ \or \gdef\@ylii{47}\gdef\@yli{-40}\global\@ylswtrue% NWB subst. on 1
+% \or \gdef\@ylii{47}\gdef\@yli{-66}\global\@ylswtrue% NWB subst. on 1
+ \or \gdef\@ylii{47}\gdef\@yli{40}\global\@ylswtrue% SWB subst. on 1
+% \or \gdef\@ylii{47}\gdef\@yli{66}\global\@ylswtrue% SWB subst. on 1
+\fi%end of ifcase
+\fi\fi\fi}}%
+%    \end{macrocode}
+% \end{macro}
+%
+% \subsection{Upward trigonal unit (narrow type)}
+%
+% The macro |\utrigonal| typesets a compound of trivalency. 
+% The two upward bonds form an angle of 90$^{\circ}$ (narrow type), 
+% while the downward bond is typeset vertically.  
+% The following numbering is adopted in this macro. 
+%
+% \begin{verbatim}
+% **********************
+% * trigonal unit (up) *
+% **********************
+%
+% The following numbering is adopted in this macro. 
+%
+%         3       .   2
+%           `   90  /
+%             `   /
+%               0        0 <== the original point
+%               |
+%               |
+%               1
+%
+% \end{verbatim}
+%
+%  This macro has an argument |SUBSLIST| as well as an optional 
+% argument |AUXLIST|. 
+%
+% \begin{verbatim}
+%   \utrigonal[AUXLIST]{SUBSLIST}          
+% \end{verbatim}
+%
+% The arugument |AUXLIST| designates an character on the central 
+% atom of the formula drawn by this macro.  It can be used a plus 
+% or minus charge on the center.
+%
+% \begin{verbatim}
+%     AUXLIST = 
+%
+%      {0+}:  + charge (or another one chararacter) on the center
+% \end{verbatim}
+%
+% The arugument |SUBLIST| designates a set of substitutients. 
+%
+% \begin{verbatim}
+%     SUBSLIST: list of substituents
+%
+%       for n = 1 to 3 
+%
+%           nT         :  triple bond at n-atom 
+%           nD         :  double bond at n-atom 
+%           n or nS    :  single bond at n-atom
+%           nA         :  alpha single bond at n-atom
+%           nB         :  beta single bond at n-atom
+%
+%       for 0          :  cetral atom (e.g. 0==C)
+% \end{verbatim}
+%
+% \begin{verbatim}
+%       e.g. 
+%        
+%        \utrigonal{1==Cl;2==F}
+%        \utrigonal{1==Cl;4==F;2==CH$_{3}$}
+% \end{verbatim}
+% \changes{v1.02}{1998/10/31}{Adding \cs{ylutrigonalposition}, 
+% \cs{if@ylsw}, \cs{yl@shifti}, \cs{@ylii}, \cs{yl@shiftii}, \cs{@ylii}, 
+% \cs{yl@xdiff} and \cs{yl@ydiff}}
+%
+% \begin{macro}{\utrigonal}
+% \begin{macro}{\@utrigonal}
+%    \begin{macrocode}
+\def\utrigonal{\@ifnextchar[{\@utrigonal[r}{\@utrigonal[r]}}
+\def\@utrigonal#1]#2{%
+\@reset@ylsw%
+\ylutrigonalposition{#2}%
+\if@ylsw \ifx\@@ylii\empty
+\def\@@ylii{0}\def\@@yli{0}\fi
+\fi
+\if@ylsw
+ \yl@shiftii=\@ylii
+ \yl@shifti=\@yli
+ \advance\yl@shiftii\@@ylii
+ \advance\yl@shifti\@@yli
+ \advance\yl@shiftii\yl@xdiff
+ \advance\yl@shifti\yl@ydiff
+ \begin{picture}(0,0)(-\yl@shiftii,-\yl@shifti)
+ \reset@yl@xydiff%1999/1/6 by S. Fujita
+\else
+ \begin{picture}(600,600)(-300,-300)%
+  \iforigpt \put(-300,-300){\circle*{50}}%
+           \put(-\noshift,-\noshift){\circle{50}}% 
+   \typeout{command `utrigonal' origin: %
+    (\the\noshift,\the\noshift) ---> (300,300)}\fi%
+\fi
+\@tfor\member:=#1\do{%
+   \expandafter\twoch@@r\member{}{}%
+   \if\@@tmpa 0\relax {\putratom{-27}{50}{\scriptsize\@@tmpb}}\fi}%
+\@forsemicol\member:=#2\do{%
+\ifx\member\empty\else
+\expandafter\@m@mb@r\member;\relax%
+\expandafter\threech@r\@membera{}{}%
+\ifx\@memberb\@yl\else
+\ifcase\@tmpa
+{\putlratom{-40}{-33}{\@memberb}}%central atom
+\or\put(0,0){\Southbond}%
+\or\put(0,0){\NEbond}%
+\or\put(0,0){\NWbond}%
+\fi%end of ifcase
+\fi\fi}%
+\end{picture}}%end of macro utrigonal
+%    \end{macrocode}
+% \end{macro}
+% \end{macro}
+%
+% The command |\ylutrigonalposition| is used in 
+% |\utrigonal| to adjust a substitution position. 
+% \changes{v1.02}{1998/10/20}{Newly added command: 
+% \cs{ylutrigonalposition}}
+%
+% \begin{macro}{\ylutrigonalposition}
+%    \begin{macrocode}
+\def\ylutrigonalposition#1{%
+\@@ylswfalse%%%\@reset@ylsw
+\@forsemicol\member:=#1\do{%
+\if@@ylsw\else
+\ifx\member\empty\else
+\expandafter\@m@mb@r\member;\relax
+\expandafter\threech@r\@membera{}{}\relax
+\ifx\@memberb\@yl\relax\@@ylswtrue\else\@@ylswfalse\fi
+\if@@ylsw
+\ifcase\@tmpa
+ \or \gdef\@ylii{0}\gdef\@yli{52}\global\@ylswtrue%S subst. on 1
+ \or \gdef\@ylii{-40}\gdef\@yli{-47}\global\@ylswtrue% NE subst. on 1
+ \or \gdef\@ylii{50}\gdef\@yli{-47}\global\@ylswtrue% NW subst. on 1
+\fi%end of ifcase
+\fi\fi\fi}}%
+%    \end{macrocode}
+% \end{macro}
+%
+% \subsection{Upward trigonal unit (broad type)}
+%
+% The macro |\Utrigonal| typesets a compound of trivalency. 
+% The two upward bonds form an angle of 120$^{\circ}$ (broad type), 
+% while the downward bond is typeset vertically.  
+% The following numbering is adopted in this macro. 
+%
+% \begin{verbatim}
+% **********************
+% * trigonal unit (up) *
+% **********************
+%
+%         3           2
+%           `  120  /
+%             `   /
+%               0        0 <== the original point
+%               |
+%               |
+%               1
+%
+% \end{verbatim}
+%
+%  This macro has an argument |SUBSLIST| as well as an optional 
+% argument |AUXLIST|. 
+%
+% \begin{verbatim}
+%   \Utrigonal[AUXLIST]{SUBSLIST}          
+% \end{verbatim}
+%
+% The arugument |AUXLIST| designates an character on the central 
+% atom of the formula drawn by this macro.  It can be used a plus 
+% or minus charge on the center.
+%
+% \begin{verbatim}
+%     AUXLIST = 
+%
+%     {0+}:  + charge (or another one chararacter) on the center
+% \end{verbatim}
+%
+% The arugument |SUBLIST| designates a set of substitutients. 
+%
+% \begin{verbatim}
+%     SUBSLIST: list of substituents
+%
+%       for n = 1 to 3 
+%
+%           nT         :  triple bond at n-atom 
+%           nD         :  double bond at n-atom 
+%           n or nS    :  single bond at n-atom
+%           nA         :  alpha single bond at n-atom
+%           nB         :  beta single bond at n-atom
+%
+%       for 0          :  cetral atom (e.g. 0==C)
+% \end{verbatim}
+%
+% \begin{verbatim}
+%       e.g. 
+%        
+%        \Utrigonal{1==Cl;2==F}
+%        \Utrigonal{1==Cl;4==F;2==CH$_{3}$}
+% \end{verbatim}
+% \changes{v1.02}{1998/10/31}{Adding \cs{ylutrigonalposition}, 
+% \cs{if@ylsw}, \cs{yl@shifti}, \cs{@ylii}, \cs{yl@shiftii}, \cs{@ylii}, 
+% \cs{yl@xdiff} and \cs{yl@ydiff}}
+%
+% \begin{macro}{\Utrigonal}
+% \begin{macro}{\@Utrigonal}
+%    \begin{macrocode}
+\def\Utrigonal{\@ifnextchar[{\@Utrigonal[r}{\@Utrigonal[r]}}
+\def\@Utrigonal#1]#2{%
+\@reset@ylsw%
+\ylUtrigonalposition{#2}%
+\if@ylsw \ifx\@@ylii\empty
+\def\@@ylii{0}\def\@@yli{0}\fi
+\fi
+\if@ylsw
+ \yl@shiftii=\@ylii
+ \yl@shifti=\@yli
+ \advance\yl@shiftii\@@ylii
+ \advance\yl@shifti\@@yli
+ \advance\yl@shiftii\yl@xdiff
+ \advance\yl@shifti\yl@ydiff
+ \begin{picture}(0,0)(-\yl@shiftii,-\yl@shifti)
+ \reset@yl@xydiff%1999/1/6 by S. Fujita
+\else
+ \begin{picture}(600,600)(-300,-300)%
+  \iforigpt \put(-300,-300){\circle*{50}}%
+           \put(-\noshift,-\noshift){\circle{50}}% 
+   \typeout{command `Utrigonal' origin: %
+    (\the\noshift,\the\noshift) ---> (300,300)}\fi%
+\fi
+\@tfor\member:=#1\do{%
+   \expandafter\twoch@@r\member{}{}%
+   \if\@@tmpa 0\relax {\putratom{-27}{50}{\scriptsize\@@tmpb}}\fi}%
+\@forsemicol\member:=#2\do{%
+\ifx\member\empty\else
+\expandafter\@m@mb@r\member;\relax%
+\expandafter\threech@r\@membera{}{}%
+\ifx\@memberb\@yl\else
+\ifcase\@tmpa
+{\putlratom{-40}{-33}{\@memberb}}%central atom
+\or\put(0,0){\Southbond}%
+\or\put(0,0){\NEBond}%
+\or\put(0,0){\NWBond}%
+\fi%end of ifcase
+\fi\fi}%
+\end{picture}}%end of macro Utrigonal
+%    \end{macrocode}
+% \end{macro}
+% \end{macro}
+%
+% The command |\ylUtrigonalposition| is used in 
+% |\Utrigonal| to adjust a substitution position. 
+% \changes{v1.02}{1998/10/20}{Newly added command: 
+% \cs{ylUtrigonalposition}}
+%
+% \begin{macro}{\ylUtrigonalposition}
+%    \begin{macrocode}
+\def\ylUtrigonalposition#1{%
+\@@ylswfalse%%%\@reset@ylsw
+\@forsemicol\member:=#1\do{%
+\if@@ylsw\else
+\ifx\member\empty\else
+\expandafter\@m@mb@r\member;\relax
+\expandafter\threech@r\@membera{}{}\relax
+\ifx\@memberb\@yl\relax\@@ylswtrue\else\@@ylswfalse\fi
+\if@@ylsw
+\ifcase\@tmpa
+ \or \gdef\@ylii{0}\gdef\@yli{52}\global\@ylswtrue%S subst. on 1
+ \or \gdef\@ylii{-40}\gdef\@yli{-47}\global\@ylswtrue% NEB subst. on 1
+ \or \gdef\@ylii{66}\gdef\@yli{-47}\global\@ylswtrue% NWB subst. on 1
+\fi%end of ifcase
+\fi\fi\fi}}%
+%    \end{macrocode}
+% \end{macro}
+%
+% \subsection{Downward trigonal unit (narrow type)}
+%
+% The macro |\dtrigonal| typesets a compound of trivalency. 
+% The upward bond is typeset vertically.  
+% The following numbering is adopted in this macro. 
+%
+% \begin{verbatim}
+% ************************
+% * trigonal unit (down) *
+% ************************
+%
+% The following numbering is adopted in this macro. 
+%
+%                1
+%                |
+%                |
+%                0       0 <== the original point
+%              /  `
+%            /  90  `
+%          2          3
+%
+% \end{verbatim}
+%
+%  This macro has an argument |SUBSLIST| as well as an optional 
+% argument |AUXLIST|. 
+%
+% \begin{verbatim}
+%   \dtrigonal[AUXLIST]{SUBSLIST}
+% \end{verbatim}
+%
+% The arugument |AUXLIST| designates an character on the central 
+% atom of the formula drawn by this macro.  It can be used a plus 
+% or minus charge on the center.
+%
+% \begin{verbatim}
+%     AUXLIST = 
+%
+%     {0+} :  + charge (or another one chararacter) on the center
+% \end{verbatim}
+%
+% The arugument |SUBLIST| designates a set of substitutients. 
+%
+% \begin{verbatim}
+%     SUBSLIST: list of substituents
+%
+%       for n = 1 to 3 
+%
+%           nT         :  triple bond at n-atom 
+%           nD         :  double bond at n-atom 
+%           n or nS    :  single bond at n-atom
+%           nA         :  alpha single bond at n-atom
+%           nB         :  beta single bond at n-atom
+%
+%       for 0          :  cetral atom (e.g. 0==C)
+% \end{verbatim}
+%
+% \begin{verbatim}
+%       e.g. 
+%        
+%        \dtrigonal{1==Cl;2==F}
+%        \dtrigonal{1==Cl;4==F;2==CH$_{3}$}
+% \end{verbatim}
+% \changes{v1.02}{1998/10/31}{Adding \cs{yldtrigonalposition}, 
+% \cs{if@ylsw}, \cs{yl@shifti}, \cs{@ylii}, \cs{yl@shiftii}, \cs{@ylii}, 
+% \cs{yl@xdiff} and \cs{yl@ydiff}}
+%
+% \begin{macro}{\dtrigonal}
+% \begin{macro}{\@dtrigonal}
+%    \begin{macrocode}
+\def\dtrigonal{\@ifnextchar[{\@dtrigonal[r}{\@dtrigonal[r]}}
+\def\@dtrigonal#1]#2{%
+\@reset@ylsw%
+\yldtrigonalposition{#2}%
+\if@ylsw \ifx\@@ylii\empty
+\def\@@ylii{0}\def\@@yli{0}\fi
+\fi
+\if@ylsw
+ \yl@shiftii=\@ylii
+ \yl@shifti=\@yli
+ \advance\yl@shiftii\@@ylii
+ \advance\yl@shifti\@@yli
+ \advance\yl@shiftii\yl@xdiff
+ \advance\yl@shifti\yl@ydiff
+ \begin{picture}(0,0)(-\yl@shiftii,-\yl@shifti)
+ \reset@yl@xydiff%1999/1/6 by S. Fujita
+\else
+ \begin{picture}(600,600)(-300,-300)
+  \iforigpt \put(-300,-300){\circle*{50}}%
+           \put(-\noshift,-\noshift){\circle{50}}% 
+   \typeout{command `dtrigonal' origin: %
+    (\the\noshift,\the\noshift) ---> (300,300)}\fi%
+\fi
+\@tfor\member:=#1\do{%
+   \expandafter\twoch@@r\member{}{}%
+   \if\@@tmpa 0\relax {\putratom{37}{50}{\scriptsize\@@tmpb}}\fi}%
+\@forsemicol\member:=#2\do{%
+\ifx\member\empty\else
+\expandafter\@m@mb@r\member;\relax%
+\expandafter\threech@r\@membera{}{}%
+\ifx\@memberb\@yl\else
+\ifcase\@tmpa
+{\putlratom{-40}{-33}{\@memberb}}%central atom
+\or\put(0,0){\Northbond}%
+\or\put(0,0){\SEbond}%
+\or\put(0,0){\SWbond}%
+\fi%end of ifcase
+\fi\fi}%
+\end{picture}}%end of macro dtrigonal
+%    \end{macrocode}
+% \end{macro}
+% \end{macro}
+%
+% The command |\yldtrigonalposition| is used in 
+% |\dtrigonal| to adjust a substitution position. 
+% \changes{v1.02}{1998/10/20}{Newly added command: 
+% \cs{yldtrigonalposition}}
+%
+% \begin{macro}{\yldtrigonalposition}
+%    \begin{macrocode}
+\def\yldtrigonalposition#1{%
+\@@ylswfalse%%%\@reset@ylsw
+\@forsemicol\member:=#1\do{%
+\if@@ylsw\else
+\ifx\member\empty\else
+\expandafter\@m@mb@r\member;\relax
+\expandafter\threech@r\@membera{}{}\relax
+\ifx\@memberb\@yl\relax\@@ylswtrue\else\@@ylswfalse\fi
+\if@@ylsw
+\ifcase\@tmpa
+ \or \gdef\@ylii{0}\gdef\@yli{-52}\global\@ylswtrue%N subst. on 1
+ \or \gdef\@ylii{-40}\gdef\@yli{47}\global\@ylswtrue% SE subst. on 1
+ \or \gdef\@ylii{50}\gdef\@yli{47}\global\@ylswtrue% SW subst. on 1
+\fi%end of ifcase
+\fi\fi\fi}}%
+%    \end{macrocode}
+% \end{macro}
+%
+% \subsection{Downward trigonal unit (broad type)}
+%
+% The macro |\Dtrigonal| typesets a compound of trivalency. 
+% The upward bond is typeset vertically.  
+% The following numbering is adopted in this macro. 
+%
+% \begin{verbatim}
+% ************************
+% * trigonal unit (down) *
+% ************************
+%
+% The following numbering is adopted in this macro. 
+%
+%                1
+%                |
+%                |
+%                0       0 <== the original point
+%              /  `
+%            /  120 `
+%          2          3
+%
+% \end{verbatim}
+%
+% This macro has an argument |SUBSLIST| as well as an optional 
+% argument |AUXLIST|. 
+%
+% \begin{verbatim}
+%   \Dtrigonal[AUXLIST]{SUBSLIST}          
+% \end{verbatim}
+%
+% The arugument |AUXLIST| designates an character on the central 
+% atom of the formula drawn by this macro.  It can be used a plus 
+% or minus charge on the center.
+%
+% \begin{verbatim}
+%     AUXLIST = 
+%
+%     {0+}:  + charge (or another one chararacter) on the center
+% \end{verbatim}
+%
+% The arugument |SUBLIST| designates a set of substitutients. 
+%
+% \begin{verbatim}
+%     SUBSLIST: list of substituents
+%
+%       for n = 1 to 3 
+%
+%           nT         :  triple bond at n-atom 
+%           nD         :  double bond at n-atom 
+%           n or nS    :  single bond at n-atom
+%           nA         :  alpha single bond at n-atom
+%           nB         :  beta single bond at n-atom
+%
+%       for 0          :  cetral atom (e.g. 0==C)
+% \end{verbatim}
+%
+% \begin{verbatim}
+%       e.g. 
+%        
+%        \Dtrigonal{1==Cl;2==F}
+%        \Dtrigonal{1==Cl;4==F;2==CH$_{3}$}
+% \end{verbatim}
+% \changes{v1.02}{1998/10/31}{Adding \cs{ylDtrigonalposition}, 
+% \cs{if@ylsw}, \cs{yl@shifti}, \cs{@ylii}, \cs{yl@shiftii}, \cs{@ylii}, 
+% \cs{yl@xdiff} and \cs{yl@ydiff}}
+%
+% \begin{macro}{\Dtrigonal}
+% \begin{macro}{\@Dtrigonal}
+%    \begin{macrocode}
+\def\Dtrigonal{\@ifnextchar[{\@Dtrigonal[r}{\@Dtrigonal[r]}}
+\def\@Dtrigonal#1]#2{%
+\@reset@ylsw%
+\ylDtrigonalposition{#2}%
+\if@ylsw \ifx\@@ylii\empty
+\def\@@ylii{0}\def\@@yli{0}\fi
+\fi
+\if@ylsw
+ \yl@shiftii=\@ylii
+ \yl@shifti=\@yli
+ \advance\yl@shiftii\@@ylii
+ \advance\yl@shifti\@@yli
+ \advance\yl@shiftii\yl@xdiff
+ \advance\yl@shifti\yl@ydiff
+ \begin{picture}(0,0)(-\yl@shiftii,-\yl@shifti)
+ \reset@yl@xydiff%1999/1/6 by S. Fujita
+\else
+ \begin{picture}(600,600)(-300,-300)
+  \iforigpt \put(-300,-300){\circle*{50}}%
+           \put(-\noshift,-\noshift){\circle{50}}% 
+   \typeout{command `Dtrigonal' origin: %
+    (\the\noshift,\the\noshift) ---> (300,300)}\fi%
+\fi
+\@tfor\member:=#1\do{%
+   \expandafter\twoch@@r\member{}{}%
+   \if\@@tmpa 0\relax {\putratom{37}{50}{\scriptsize\@@tmpb}}\fi}%
+\@forsemicol\member:=#2\do{%
+\ifx\member\empty\else
+\expandafter\@m@mb@r\member;\relax%
+\expandafter\threech@r\@membera{}{}%
+\ifx\@memberb\@yl\else
+\ifcase\@tmpa
+{\putlratom{-40}{-33}{\@memberb}}%central atom
+\or\put(0,0){\Northbond}%
+\or\put(0,0){\SEBond}%
+\or\put(0,0){\SWBond}%
+\fi%end of ifcase
+\fi\fi}%
+\end{picture}}%end of macro Dtrigonal
+%    \end{macrocode}
+% \end{macro}
+% \end{macro}
+%
+% The command |\ylDtrigonalposition| is used in 
+% |\Dtrigonal| to adjust a substitution position. 
+% \changes{v1.02}{1998/10/20}{Newly added command: 
+% \cs{ylDtrigonalposition}}
+%
+% \begin{macro}{\ylDtrigonalposition}
+%    \begin{macrocode}
+\def\ylDtrigonalposition#1{%
+\@@ylswfalse%%%\@reset@ylsw
+\@forsemicol\member:=#1\do{%
+\if@@ylsw\else
+\ifx\member\empty\else
+\expandafter\@m@mb@r\member;\relax
+\expandafter\threech@r\@membera{}{}\relax
+\ifx\@memberb\@yl\relax\@@ylswtrue\else\@@ylswfalse\fi
+\if@@ylsw
+\ifcase\@tmpa
+ \or \gdef\@ylii{0}\gdef\@yli{-52}\global\@ylswtrue%N subst. on 1
+ \or \gdef\@ylii{-40}\gdef\@yli{47}\global\@ylswtrue% SEB subst. on 1
+ \or \gdef\@ylii{66}\gdef\@yli{47}\global\@ylswtrue% SWB subst. on 1
+\fi%end of ifcase
+\fi\fi\fi}}%
+%    \end{macrocode}
+% \end{macro}
+%
+% \section{Ethylene derivative}
+% \subsection{Horizontal ethylene unit (narrow type)}
+%
+% The macro |\ethylene| typesets ethylene derivatives. 
+% The following numbering is adopted in this macro. 
+%
+% \begin{verbatim}
+% *****************
+% * ethylene unit *
+% *****************
+%
+%         1                4
+%           `            /
+%             `        /
+%          90  (1)===(2) 90     (1) <== the original point
+%             /        `
+%           /            `
+%         2                3
+% \end{verbatim}
+%
+% \begin{verbatim}
+%   \ethylene[BONDLIST]{ATOMLIST}{SUBSLIST}
+% \end{verbatim}
+%
+% The arugument |BONDLIST| designates the bond between atom (1) and 
+% atom (2) as well as charges on these centeral atoms.
+%
+% \begin{verbatim}
+%     BONDLIST: list of inner bonds and charges
+%
+%           {n+}       :  + charge (or another one chararacter) on n-atom
+%             d        :  inner double bond (between (1) and (2))
+%             t        :  inner triple bond (between (1) and (2))
+% \end{verbatim}
+%
+% The arugument |SUBLIST| designates a set of substitutients. 
+%
+% \begin{verbatim}
+%     SUBSLIST: list of substituents
+%
+%       for n = 1 to 4
+%
+%           nT         :  triple bond at n-atom 
+%           nD         :  double bond at n-atom 
+%           n or nS    :  single bond at n-atom
+%           nA         :  alpha single bond at n-atom
+%           nB         :  beta single bond at n-atom
+% \end{verbatim}
+%
+% The arugument |ATOMLIST| designates the list of central atoms. 
+%
+% \begin{verbatim}
+%     ATOMLIST: list of central atoms
+%           n          :  atom for n-position (e.g. 1==C)
+% \end{verbatim}
+%
+% \begin{verbatim}
+%       e.g. 
+%        
+%        \ethylene{}{1==Cl;2==F}
+%        \ethylene{}{1==Cl;4==F;2==CH$_{3}$}
+% \end{verbatim}
+% \changes{v1.02}{1998/10/31}{Adding \cs{ylethylenepositiona}, 
+% \cs{ylethylenepositionb}, 
+% \cs{if@ylsw}, \cs{yl@shifti}, \cs{@ylii}, \cs{yl@shiftii}, \cs{@ylii}, 
+% \cs{yl@xdiff} and \cs{yl@ydiff}}
+%
+% \begin{macro}{\ethylene}
+% \begin{macro}{\@ethylene}
+%    \begin{macrocode}
+\def\ethylene{\@ifnextchar[{\@ethylene}{\@ethylene[]}}
+\def\@ethylene[#1]#2#3{%
+\@reset@ylsw%
+\ylethylenepositiona{#3}%
+\if@ylsw \ifx\@@ylii\empty
+\def\@@ylii{0}\def\@@yli{0}\fi
+\else
+\ylethylenepositionb{#3}%
+\fi
+\if@ylsw \ifx\@@ylii\empty
+\def\@@ylii{-230}\def\@@yli{0}\fi
+\fi
+\if@ylsw
+ \yl@shiftii=\@ylii
+ \yl@shifti=\@yli
+ \advance\yl@shiftii\@@ylii
+ \advance\yl@shifti\@@yli
+ \advance\yl@shiftii\yl@xdiff
+ \advance\yl@shifti\yl@ydiff
+ \begin{picture}(0,0)(-\yl@shiftii,-\yl@shifti)
+ \reset@yl@xydiff%1999/1/6 by S. Fujita
+\else
+\begin{picture}(800,600)(-300,-300)
+  \iforigpt \put(-300,-300){\circle*{50}}%
+           \put(-\noshift,-\noshift){\circle{50}}% 
+   \typeout{command `ethylene' origin: %
+    (\the\noshift,\the\noshift) ---> (300,300)}\fi%
+\fi
+{\def\aaa{#1}\ifx\aaa\empty%
+ \multiput(42,-13)(0,25){2}{\line(1,0){140}}\fi% double bond
+}%
+\@tfor\member:=#1\do{%
+ \expandafter\twoch@@r\member{}{}%
+   \if\@@tmpa 1\relax {\putratom{-27}{60}{\scriptsize\@@tmpb}}%
+   \else\if\@@tmpa 2\relax {\putratom{203}{60}{\scriptsize\@@tmpb}}%
+   \else\if\@@tmpa d\relax%
+       {\multiput(42,-13)(0,25){2}{\line(1,0){140}}}% double bond
+   \else\if\@@tmpa t\relax%
+     {\multiput(42,-20)(0,20){3}{\line(1,0){140}}}% triple bond right
+   \fi\fi\fi\fi}%
+{\def\aaa{#2}%
+\ifx\aaa\empty%
+\putratom{-40}{-33}{C}%central atom
+\putratom{190}{-33}{C}%central atom
+\else%
+\@forsemicol\member:=#2\do{%
+\ifx\member\empty\else
+\expandafter\@m@mb@r\member;\relax%
+\expandafter\threech@r\@membera{}{}%
+\ifcase\@tmpa%
+\or\putratom{-40}{-33}{\@memberb}%central atom
+\or\putratom{190}{-33}{\@memberb}%central atom
+\fi\fi}%end of ifcase
+\fi%
+}%
+\@forsemicol\member:=#3\do{%
+\ifx\member\empty\else
+\expandafter\@m@mb@r\member;\relax%
+\expandafter\threech@r\@membera{}{}%
+\ifx\@memberb\@yl\else
+\ifcase\@tmpa%
+\or\put(0,0){\NWbond}%
+\or\put(0,0){\SWbond}%
+\or\put(230,0){\SEbond}%
+\or\put(230,0){\NEbond}%
+\fi%end of ifcase
+\fi\fi}%
+\end{picture}}%end of macro ethylene
+%    \end{macrocode}
+% \end{macro}
+% \end{macro}
+%
+% \begin{macro}{\ethyleneh}
+%    \begin{macrocode}
+\let\ethyleneh=\ethylene
+%    \end{macrocode}
+% \end{macro}
+%
+% The commands |\ylethylenepositiona| and |\ylethylenepositiona| 
+% are  used in |\ethylene| to adjust a substitution position. 
+% \changes{v1.02}{1998/10/20}{Newly added command: 
+% \cs{ylethylenepositiona} and \cs{ylethylenepositionb}}
+%
+% \begin{macro}{\ylethylenepositiona}
+% \begin{macro}{\ylethylenepositionb}
+%    \begin{macrocode}
+\def\ylethylenepositiona#1{%
+\@@ylswfalse%%%\@reset@ylsw
+\@forsemicol\member:=#1\do{%
+\if@@ylsw\else
+\ifx\member\empty\else
+\expandafter\@m@mb@r\member;\relax
+\expandafter\threech@r\@membera{}{}\relax
+\ifx\@memberb\@yl\relax\@@ylswtrue\else\@@ylswfalse\fi
+\if@@ylsw
+\ifcase\@tmpa
+ \or \gdef\@ylii{50}\gdef\@yli{-47}\global\@ylswtrue% NW subst. on 1
+ \or \gdef\@ylii{50}\gdef\@yli{47}\global\@ylswtrue% SW subst. on 1
+\fi%end of ifcase
+\fi\fi\fi}}%
+\def\ylethylenepositionb#1{%
+\@@ylswfalse%%%\@reset@ylsw
+\@forsemicol\member:=#1\do{%
+\if@@ylsw\else
+\ifx\member\empty\else
+\expandafter\@m@mb@r\member;\relax
+\expandafter\threech@r\@membera{}{}\relax
+\ifx\@memberb\@yl\relax\@@ylswtrue\else\@@ylswfalse\fi
+\if@@ylsw
+\ifcase\@tmpa
+ \or%omit 
+ \or%omit
+ \or \gdef\@ylii{-40}\gdef\@yli{47}\global\@ylswtrue% SE subst. on 1
+ \or \gdef\@ylii{-40}\gdef\@yli{-47}\global\@ylswtrue% NE subst. on 1
+\fi%end of ifcase
+\fi\fi\fi}}%
+%    \end{macrocode}
+% \end{macro}
+% \end{macro}
+%
+% \subsection{Horizontal ethylene unit (broad type)}
+%
+% The macro |\Ethylene| typesets ethylene derivatives. 
+% The following numbering is adopted in this macro. 
+% \changes{v1.02}{1998/10/20}{New command: \cs{Ethylene}}
+%
+% \begin{verbatim}
+% *****************
+% * ethylene unit *
+% *****************
+%
+%         1                4
+%           `            /
+%             `        /
+%         120  (1)===(2) 120     (1) <== the original point
+%             /        `
+%           /            `
+%         2                3
+% \end{verbatim}
+%
+% \begin{verbatim}
+%   \Ethylene[BONDLIST]{ATOMLIST}{SUBSLIST}
+% \end{verbatim}
+%
+% The arugument |BONDLIST| designates the bond between atom (1) and 
+% atom (2) as well as charges on these centeral atoms.
+%
+% \begin{verbatim}
+%     BONDLIST: list of inner bonds and charges
+%
+%           {n+}       :  + charge (or another one chararacter) on n-atom
+%             d        :  inner double bond (between (1) and (2))
+%             t        :  inner triple bond (between (1) and (2))
+% \end{verbatim}
+%
+% The arugument |SUBLIST| designates a set of substitutients. 
+%
+% \begin{verbatim}
+%     SUBSLIST: list of substituents
+%
+%       for n = 1 to 4
+%
+%           nT         :  triple bond at n-atom 
+%           nD         :  double bond at n-atom 
+%           n or nS    :  single bond at n-atom
+%           nA         :  alpha single bond at n-atom
+%           nB         :  beta single bond at n-atom
+% \end{verbatim}
+%
+% The arugument |ATOMLIST| designates the list of central atoms. 
+%
+% \begin{verbatim}
+%     ATOMLIST: list of central atoms
+%           n          :  atom for n-position (e.g. 1==C)
+% \end{verbatim}
+%
+% \begin{verbatim}
+%       e.g. 
+%        
+%        \Ethylene{}{1==Cl;2==F}
+%        \Ethylene{}{1==Cl;4==F;2==CH$_{3}$}
+% \end{verbatim}
+% \changes{v1.02}{1998/10/31}{Adding \cs{ylethylenepositiona}, 
+% \cs{ylethylenepositionb}, 
+% \cs{if@ylsw}, \cs{yl@shifti}, \cs{@ylii}, \cs{yl@shiftii}, \cs{@ylii}, 
+% \cs{yl@xdiff} and \cs{yl@ydiff}}
+%
+% \begin{macro}{\Ethylene}
+% \begin{macro}{\@Ethylene}
+%    \begin{macrocode}
+\def\Ethylene{\@ifnextchar[{\@ethylene}{\@ethylene[]}}
+\def\@ethylene[#1]#2#3{%
+\@reset@ylsw%
+\ylethylenepositiona{#3}%
+\if@ylsw \ifx\@@ylii\empty
+\def\@@ylii{0}\def\@@yli{0}\fi
+\else
+\ylethylenepositionb{#3}%
+\fi
+\if@ylsw \ifx\@@ylii\empty
+\def\@@ylii{-230}\def\@@yli{0}\fi
+\fi
+\if@ylsw
+ \yl@shiftii=\@ylii
+ \yl@shifti=\@yli
+ \advance\yl@shiftii\@@ylii
+ \advance\yl@shifti\@@yli
+ \advance\yl@shiftii\yl@xdiff
+ \advance\yl@shifti\yl@ydiff
+ \begin{picture}(0,0)(-\yl@shiftii,-\yl@shifti)
+ \reset@yl@xydiff%1999/1/6 by S. Fujita
+\else
+\begin{picture}(800,600)(-300,-300)
+  \iforigpt \put(-300,-300){\circle*{50}}%
+           \put(-\noshift,-\noshift){\circle{50}}% 
+   \typeout{command `ethylene' origin: %
+    (\the\noshift,\the\noshift) ---> (300,300)}\fi%
+\fi
+{\def\aaa{#1}\ifx\aaa\empty%
+ \multiput(42,-13)(0,25){2}{\line(1,0){140}}\fi% double bond
+}%
+\@tfor\member:=#1\do{%
+ \expandafter\twoch@@r\member{}{}%
+   \if\@@tmpa 1\relax {\putratom{-27}{60}{\scriptsize\@@tmpb}}%
+   \else\if\@@tmpa 2\relax {\putratom{203}{60}{\scriptsize\@@tmpb}}%
+   \else\if\@@tmpa d\relax%
+       {\multiput(42,-13)(0,25){2}{\line(1,0){140}}}% double bond
+   \else\if\@@tmpa t\relax%
+     {\multiput(42,-20)(0,20){3}{\line(1,0){140}}}% triple bond right
+   \fi\fi\fi\fi}%
+{\def\aaa{#2}%
+\ifx\aaa\empty%
+\putratom{-40}{-33}{C}%central atom
+\putratom{190}{-33}{C}%central atom
+\else%
+\@forsemicol\member:=#2\do{%
+\ifx\member\empty\else
+\expandafter\@m@mb@r\member;\relax%
+\expandafter\threech@r\@membera{}{}%
+\ifcase\@tmpa%
+\or\putratom{-40}{-33}{\@memberb}%central atom
+\or\putratom{190}{-33}{\@memberb}%central atom
+\fi\fi}%end of ifcase
+\fi%
+}%
+\@forsemicol\member:=#3\do{%
+\ifx\member\empty\else
+\expandafter\@m@mb@r\member;\relax%
+\expandafter\threech@r\@membera{}{}%
+\ifx\@memberb\@yl\else
+\ifcase\@tmpa%
+\or\put(0,0){\NWBOND}%
+\or\put(0,0){\SWBOND}%
+\or\put(230,0){\SEBOND}%
+\or\put(230,0){\NEBOND}%
+\fi%end of ifcase
+\fi\fi}%
+\end{picture}}%end of macro Ethylene
+%    \end{macrocode}
+% \end{macro}
+% \end{macro}
+%
+% \begin{macro}{\Ethyleneh}
+%    \begin{macrocode}
+\let\Ethyleneh=\Ethylene
+%    \end{macrocode}
+% \end{macro}
+%
+% \subsection{Vertical ethylene unit (narrow type)}
+%
+% The macro |\ethylenev| typesets ethylene derivatives in a 
+% vatical manner. 
+% The following numbering is adopted in this macro. 
+%
+% \begin{verbatim}
+% ****************************
+% * ethylene unit (vertical) *
+% ****************************
+%
+% The following numbering is adopted in this macro. 
+%
+%         4          3
+%           `  90  /
+%             `  /
+%              (2)
+%               ||
+%               ||
+%              (1)  <== the original point
+%             /  `
+%           /  90 `
+%         1         2
+%
+% \end{verbatim}
+%
+% \begin{verbatim}
+%   \ethylenev[BONDLIST]{ATOMLIST}{SUBSLIST}
+% \end{verbatim}
+%
+% \begin{verbatim}
+%     BONDLIST: list of inner bonds and charges
+%
+%           {n+}  :  + charge (or another one chararacter) on n-atom
+%             d   :  inner double bond (between (1) and (2))
+%             t   :  inner triple bond (between (1) and (2))
+% \end{verbatim}
+%
+% \begin{verbatim}
+%     SUBSLIST: list of substituents
+%
+%       for n = 1 to 4
+%
+%           nT         :  triple bond at n-atom 
+%           nD         :  double bond at n-atom 
+%           n or nS    :  single bond at n-atom
+%           nA         :  alpha single bond at n-atom
+%           nB         :  beta single bond at n-atom
+% \end{verbatim}
+%
+% \begin{verbatim}
+%     ATOMLIST: list of central atoms
+%           n          :  atom for n-position (e.g. 1==C)
+% \end{verbatim}
+%
+% \begin{verbatim}
+%       e.g. 
+%        
+%        \ethylenev{1==Cl;2==F}
+%        \ethylenev{1==Cl;4==F;2==CH$_{3}$}
+% \end{verbatim}
+% \changes{v1.02}{1998/10/31}{Adding \cs{ylethylenevpositiona}, 
+% \cs{ylethylenevpositionb}, 
+% \cs{if@ylsw}, \cs{yl@shifti}, \cs{@ylii}, \cs{yl@shiftii}, \cs{@ylii}, 
+% \cs{yl@xdiff} and \cs{yl@ydiff}}
+%
+% \begin{macro}{\ethylenev}
+% \begin{macro}{\@ethylenev}
+%    \begin{macrocode}
+\def\ethylenev{\@ifnextchar[{\@ethylenev}{\@ethylenev[]}}
+\def\@ethylenev[#1]#2#3{%
+\@reset@ylsw%
+\ylethylenevpositiona{#3}%
+\if@ylsw \ifx\@@ylii\empty
+\def\@@ylii{0}\def\@@yli{0}\fi
+\else
+\ylethylenevpositionb{#3}%
+\fi
+\if@ylsw \ifx\@@ylii\empty
+\def\@@ylii{0}\def\@@yli{-230}\fi
+\fi
+\if@ylsw
+ \yl@shiftii=\@ylii
+ \yl@shifti=\@yli
+ \advance\yl@shiftii\@@ylii
+ \advance\yl@shifti\@@yli
+ \advance\yl@shiftii\yl@xdiff
+ \advance\yl@shifti\yl@ydiff
+ \begin{picture}(0,0)(-\yl@shiftii,-\yl@shifti)
+ \reset@yl@xydiff%1999/1/6 by S. Fujita
+\else
+\begin{picture}(600,800)(-300,-300)
+  \iforigpt \put(-300,-300){\circle*{50}}%
+           \put(-\noshift,-\noshift){\circle{50}}% 
+   \typeout{command `ethylenev' origin: %
+    (\the\noshift,\the\noshift) ---> (300,300)}\fi%
+\fi
+\def\aaa{#1}\ifx\aaa\empty%
+    \put(-20,47){\line(0,1){140}}% vertical
+    \put(6,47){\line(0,1){140}}\fi%  double bond
+\@tfor\member:=#1\do{%
+ \expandafter\twoch@@r\member{}{}%
+   \if\@@tmpa 1\relax \putratom{37}{0}{\scriptsize\@@tmpb}
+   \else\if\@@tmpa 2\relax \putratom{37}{216}{\scriptsize\@@tmpb}
+   \else\if\@@tmpa d\relax%
+      \put(-13,47){\line(0,1){140}}% vertical
+      \put(13,47){\line(0,1){140}}%  double bond
+   \else\if\@@tmpa t\relax%
+      \put(-20,47){\line(0,1){140}}% vertical
+      \put(-0,47){\line(0,1){140}}%   triple bond
+      \put(20,47){\line(0,1){140}}%
+   \fi\fi\fi\fi}%
+\def\aaa{#2}%
+\ifx\aaa\empty%
+\putratom{-40}{-33}{C}%central atom
+\putratom{-40}{197}{C}%central atom
+\else%
+\@forsemicol\member:=#2\do{%
+\ifx\member\empty\else
+\expandafter\@m@mb@r\member;\relax%
+\expandafter\threech@r\@membera{}{}%
+\ifcase\@tmpa%
+\or\putratom{-40}{-33}{\@memberb}%central atom
+\or\putratom{-40}{197}{\@memberb}%central atom
+\fi\fi}%end of ifcase
+\fi% 
+\@forsemicol\member:=#3\do{%
+\ifx\member\empty\else
+\expandafter\@m@mb@r\member;\relax%
+\expandafter\threech@r\@membera{}{}%
+\ifx\@memberb\@yl\else
+\ifcase\@tmpa%
+\or\put(0,0){\SWbond}%
+\or\put(0,0){\SEbond}%
+\or\put(0,230){\NEbond}%
+\or\put(0,230){\NWbond}%
+\fi%end of ifcase
+\fi\fi}%
+\end{picture}}%end of macro ethylenev
+%    \end{macrocode}
+% \end{macro}
+% \end{macro}
+%
+% The commands |\ylethylenevpositiona| and |\ylethylenevpositiona| 
+% are  used in |\ethylenev| to adjust a substitution position. 
+% \changes{v1.02}{1998/10/20}{Newly added command: 
+% \cs{ylethylenevpositiona} and \cs{ylethylenevpositionb}}
+%
+% \begin{macro}{\ylethylenepositiona}
+% \begin{macro}{\ylethylenepositionb}
+%    \begin{macrocode}
+\def\ylethylenevpositiona#1{%
+\@@ylswfalse%%%\@reset@ylsw
+\@forsemicol\member:=#1\do{%
+\if@@ylsw\else
+\ifx\member\empty\else
+\expandafter\@m@mb@r\member;\relax
+\expandafter\threech@r\@membera{}{}\relax
+\ifx\@memberb\@yl\relax\@@ylswtrue\else\@@ylswfalse\fi
+\if@@ylsw
+\ifcase\@tmpa
+ \or \gdef\@ylii{50}\gdef\@yli{47}\global\@ylswtrue% SW subst. on 1
+ \or \gdef\@ylii{-40}\gdef\@yli{47}\global\@ylswtrue% SE subst. on 1
+\fi%end of ifcase
+\fi\fi\fi}}%
+\def\ylethylenevpositionb#1{%
+\@@ylswfalse%%%\@reset@ylsw
+\@forsemicol\member:=#1\do{%
+\if@@ylsw\else
+\ifx\member\empty\else
+\expandafter\@m@mb@r\member;\relax
+\expandafter\threech@r\@membera{}{}\relax
+\ifx\@memberb\@yl\relax\@@ylswtrue\else\@@ylswfalse\fi
+\if@@ylsw
+\ifcase\@tmpa
+ \or%omit 
+ \or%omit
+ \or \gdef\@ylii{-40}\gdef\@yli{-47}\global\@ylswtrue% NE subst. on 1
+ \or \gdef\@ylii{50}\gdef\@yli{-47}\global\@ylswtrue% NW subst. on 1
+\fi%end of ifcase
+\fi\fi\fi}}%
+%    \end{macrocode}
+% \end{macro}
+% \end{macro}
+%
+% \subsection{Vertical ethylene unit (broad type)}
+%
+% The macro |\Ethylenev| typesets ethylene derivatives in a 
+% vatical manner. 
+% The following numbering is adopted in this macro. 
+%
+% \begin{verbatim}
+% ****************************
+% * ethylene unit (vertical) *
+% ****************************
+%
+%         4          3
+%           `  120 /
+%             `  /
+%              (2)
+%               ||
+%               ||
+%              (1)  <== the original point
+%             /  `
+%           /  120 `
+%         1          2
+% \end{verbatim}
+%
+% \begin{verbatim}
+%   \Ethylenev[BONDLIST]{ATOMLIST}{SUBSLIST}
+% \end{verbatim}
+%
+% \begin{verbatim}
+%     BONDLIST: list of inner bonds and charges
+%
+%           {n+} :  + charge (or another one chararacter) on n-atom
+%             d  :  inner double bond (between (1) and (2))
+%             t  :  inner triple bond (between (1) and (2))
+% \end{verbatim}
+%
+% \begin{verbatim}
+%     SUBSLIST: list of substituents
+%
+%       for n = 1 to 4
+%
+%           nT         :  triple bond at n-atom 
+%           nD         :  double bond at n-atom 
+%           n or nS    :  single bond at n-atom
+%           nA         :  alpha single bond at n-atom
+%           nB         :  beta single bond at n-atom
+% \end{verbatim}
+%
+% \begin{verbatim}
+%     ATOMLIST: list of central atoms
+%           n          :  atom for n-position (e.g. 1==C)
+% \end{verbatim}
+%
+% \begin{verbatim}
+%       e.g. 
+%        
+%        \Ethylenev{1==Cl;2==F}
+%        \Ethylenev{1==Cl;4==F;2==CH$_{3}$}
+% \end{verbatim}
+% \changes{v1.02}{1998/10/31}{Adding \cs{ylethylenevpositiona}, 
+% \cs{ylethylenevpositionb}, 
+% \cs{if@ylsw}, \cs{yl@shifti}, \cs{@ylii}, \cs{yl@shiftii}, \cs{@ylii}, 
+% \cs{yl@xdiff} and \cs{yl@ydiff}}
+%
+% \begin{macro}{\Ethylenev}
+% \begin{macro}{\@Ethylenev}
+%    \begin{macrocode}
+\def\Ethylenev{\@ifnextchar[{\@Ethylenev}{\@Ethylenev[]}}
+\def\@Ethylenev[#1]#2#3{%
+\@reset@ylsw%
+\ylethylenevpositiona{#3}%
+\if@ylsw \ifx\@@ylii\empty
+\def\@@ylii{0}\def\@@yli{0}\fi
+\else
+\ylethylenevpositionb{#3}%
+\fi
+\if@ylsw \ifx\@@ylii\empty
+\def\@@ylii{0}\def\@@yli{-230}\fi
+\fi
+\if@ylsw
+ \yl@shiftii=\@ylii
+ \yl@shifti=\@yli
+ \advance\yl@shiftii\@@ylii
+ \advance\yl@shifti\@@yli
+ \advance\yl@shiftii\yl@xdiff
+ \advance\yl@shifti\yl@ydiff
+ \begin{picture}(0,0)(-\yl@shiftii,-\yl@shifti)
+ \reset@yl@xydiff%1999/1/6 by S. Fujita
+\else
+\begin{picture}(600,800)(-300,-300)
+  \iforigpt \put(-300,-300){\circle*{50}}%
+           \put(-\noshift,-\noshift){\circle{50}}% 
+   \typeout{command `Ethylenev' origin: %
+    (\the\noshift,\the\noshift) ---> (300,300)}\fi%
+\fi
+\def\aaa{#1}\ifx\aaa\empty%
+    \put(-20,47){\line(0,1){140}}% vertical
+    \put(6,47){\line(0,1){140}}\fi%  double bond
+\@tfor\member:=#1\do{%
+ \expandafter\twoch@@r\member{}{}%
+   \if\@@tmpa 1\relax \putratom{37}{0}{\scriptsize\@@tmpb}
+   \else\if\@@tmpa 2\relax \putratom{37}{216}{\scriptsize\@@tmpb}
+   \else\if\@@tmpa d\relax%
+      \put(-13,47){\line(0,1){140}}% vertical
+      \put(13,47){\line(0,1){140}}%   double bond
+   \else\if\@@tmpa t\relax%
+      \put(-20,47){\line(0,1){140}}% vertical
+      \put(-0,47){\line(0,1){140}}%   triple bond
+      \put(20,47){\line(0,1){140}}%
+   \fi\fi\fi\fi}%
+\def\aaa{#2}%
+\ifx\aaa\empty%
+\putratom{-40}{-33}{C}%central atom
+\putratom{-40}{197}{C}%central atom
+\else%
+\@forsemicol\member:=#2\do{%
+\ifx\member\empty\else
+\expandafter\@m@mb@r\member;\relax%
+\expandafter\threech@r\@membera{}{}%
+\ifcase\@tmpa%
+\or\putratom{-40}{-33}{\@memberb}%central atom
+\or\putratom{-40}{197}{\@memberb}%central atom
+\fi\fi}%end of ifcase
+\fi% 
+\@forsemicol\member:=#3\do{%
+\ifx\member\empty\else
+\expandafter\@m@mb@r\member;\relax%
+\expandafter\threech@r\@membera{}{}%
+\ifx\@memberb\@yl\else
+\ifcase\@tmpa%
+\or\put(0,0){\SWBond}%
+\or\put(0,0){\SEBond}%
+\or\put(0,230){\NEBond}%
+\or\put(0,230){\NWBond}%
+\fi%end of ifcase
+\fi\fi}%
+\end{picture}}%end of macro Ethylenev
+%    \end{macrocode}
+% \end{macro}
+% \end{macro}
+%
+% \section{Square unit}
+%
+% The macro |\square| typesets a compound of tetravalency. 
+% The following numbering is adopted in this macro. 
+%
+% \begin{verbatim}
+% ***************
+% * square unit *
+% ***************
+%
+% The following numbering is adopted in this macro. 
+%
+%         4          1
+%           `      /
+%             `  /
+%              (0)  <== the original point
+%             /  `
+%           /     `
+%         3         2
+%
+% \end{verbatim}
+%
+%  This macro has an argument |SUBSLIST| as well as an optional 
+% argument |AUXLIST|. 
+%
+% \begin{verbatim}
+%   \square[AUXLIST]{SUBSLIST}
+% \end{verbatim}
+%
+% The arugument |AUXLIST| designates an character on the central 
+% atom of the formula drawn by this macro.  It can be used a plus 
+% or minus charge on the center.
+%
+% \begin{verbatim}
+%     AUXLIST = 
+%
+%     {0+}:  + charge (or another one chararacter) on the center
+% \end{verbatim}
+%
+% \begin{verbatim}
+%     SUBSLIST: list of substituents
+%
+%       for n = 1 to 4 
+%
+%           nT         :  triple bond at n-atom 
+%           nD         :  double bond at n-atom 
+%           n or nS    :  single bond at n-atom
+%           nA         :  alpha single bond at n-atom
+%           nB         :  beta single bond at n-atom
+%
+%       for 0          :  cetral atom (e.g. 0==C)
+% \end{verbatim}
+%
+% \begin{verbatim}
+%       e.g. 
+%        
+%        \square{0==C;1==Cl;2==F}
+%        \square{0==C;1==Cl;4==F;2==CH$_{3}$}
+% \end{verbatim}
+% \changes{v1.02}{1998/10/31}{Adding \cs{ylsquareposition}, 
+% \cs{if@ylsw}, \cs{yl@shifti}, \cs{@ylii}, \cs{yl@shiftii}, \cs{@ylii}, 
+% \cs{yl@xdiff} and \cs{yl@ydiff}}
+%
+% \begin{macro}{\square}
+% \begin{macro}{\@square}
+%    \begin{macrocode}
+\def\square{\@ifnextchar[{\@square[r}{\@square[r]}}
+\def\@square#1]#2{%
+\@reset@ylsw%
+\ylsquareposition{#2}%
+\if@ylsw \ifx\@@ylii\empty
+\def\@@ylii{0}\def\@@yli{0}\fi
+\fi
+\if@ylsw
+ \yl@shiftii=\@ylii
+ \yl@shifti=\@yli
+ \advance\yl@shiftii\@@ylii
+ \advance\yl@shifti\@@yli
+ \advance\yl@shiftii\yl@xdiff
+ \advance\yl@shifti\yl@ydiff
+ \begin{picture}(0,0)(-\yl@shiftii,-\yl@shifti)
+ \reset@yl@xydiff%1999/1/6 by S. Fujita
+\else
+ \begin{picture}(600,600)(-300,-300)
+  \iforigpt \put(-300,-300){\circle*{50}}%
+           \put(-\noshift,-\noshift){\circle{50}}% 
+   \typeout{command `square' origin: %
+    (\the\noshift,\the\noshift) ---> (300,300)}\fi%
+\fi
+\@tfor\member:=#1\do{%
+   \expandafter\twoch@@r\member{}{}%
+   \if\@@tmpa 0\relax {\putratom{37}{0}{\scriptsize\@@tmpb}}\fi}%
+\@forsemicol\member:=#2\do{%
+\ifx\member\empty\else
+\expandafter\@m@mb@r\member;\relax%
+\expandafter\threech@r\@membera{}{}%
+\ifx\@memberb\@yl\else
+\ifcase\@tmpa {\putlratom{-40}{-33}{\@memberb}}%central atom
+\or\put(0,0){\NEbond}%
+\or\put(0,0){\SEbond}%
+\or\put(0,0){\SWbond}%
+\or\put(0,0){\NWbond}%
+\fi%end of ifcase
+\fi\fi}%
+\end{picture}}%end of macro square
+%    \end{macrocode}
+% \end{macro}
+% \end{macro}
+%
+% The commands |\ylsquarepositiona| and |\ylsquarepositiona| 
+% are  used in |\square| to adjust a substitution position. 
+% \changes{v1.02}{1998/10/20}{Newly added command: \cs{ylsquareposition}}
+%
+% \begin{macro}{\ylsquareposition}
+%    \begin{macrocode}
+\def\ylsquareposition#1{%
+\@@ylswfalse%%%\@reset@ylsw
+\@forsemicol\member:=#1\do{%
+\if@@ylsw\else
+\ifx\member\empty\else
+\expandafter\@m@mb@r\member;\relax
+\expandafter\threech@r\@membera{}{}\relax
+\ifx\@memberb\@yl\relax\@@ylswtrue\else\@@ylswfalse\fi
+\if@@ylsw
+\ifcase\@tmpa
+ \or \gdef\@ylii{-40}\gdef\@yli{-47}\global\@ylswtrue% NE subst. on 1
+ \or \gdef\@ylii{-40}\gdef\@yli{47}\global\@ylswtrue% SE subst. on 1
+ \or \gdef\@ylii{50}\gdef\@yli{47}\global\@ylswtrue% SW subst. on 1
+ \or \gdef\@ylii{50}\gdef\@yli{-47}\global\@ylswtrue% NW subst. on 1
+\fi%end of ifcase
+\fi\fi\fi}}%
+%    \end{macrocode}
+% \end{macro}
+%
+% \section{Ball-stick models}
+% \subsection{Tetrahedral unit of stereo type}
+%
+% The macro |\tetrastereo| typesets a tetrahedral unit in a 
+% ball-stick fashion. 
+% The following numbering is adopted in this macro. 
+%
+% \begin{verbatim}
+% *****************************
+% * tetrahedral unit (stereo) *
+% *****************************
+%
+% The following numbering is adopted in this macro. 
+%
+%                1
+%
+%                |
+%          2  -- 0 --  4       0 <== the original point
+%                |
+%
+%                3
+% \end{verbatim}
+%
+%  This macro has an argument |SUBSLIST| as well as an optional 
+% argument |AUXLIST|. 
+%
+% \begin{verbatim}
+%   \tetrastereo[AUXLIST]{SUBSLIST}
+% \end{verbatim}
+%
+% The arugument |AUXLIST| designates an character on the central 
+% atom of the formula drawn by this macro.  It can be used a plus 
+% or minus charge on the center.
+%
+% \begin{verbatim}
+%     AUXLIST = 
+%
+%     {0+} :  + charge (or another one chararacter) on the center
+% \end{verbatim}
+%
+% \begin{verbatim}
+%     SUBSLIST: list of substituents
+%
+%       for n = 1 to 4 
+%
+%           n          :  single bond at n-atom
+%
+%       for 0          :  cetral atom (e.g. 0==C)
+% \end{verbatim}
+%
+% \begin{verbatim}
+%       e.g. 
+%        
+%        \tetrastereo{1==Cl;2==F}
+%        \tetrastereo{1==Cl;4==F;2==CH$_{3}$}
+% \end{verbatim}
+%
+% \begin{macro}{\tetrastereo}
+% \begin{macro}{\@tetrastero}
+%    \begin{macrocode}
+\def\tetrastereo{\@ifnextchar[{\@tetrastereo[r}{\@tetrastereo[r]}}
+\def\@tetrastereo#1]#2{%
+\begin{picture}(600,600)(-300,-300)
+  \iforigpt \put(-300,-300){\circle*{50}}%
+           \put(-\noshift,-\noshift){\circle{50}}% 
+   \typeout{command `tetrastero' origin: %
+    (\the\noshift,\the\noshift) ---> (300,300)}\fi%
+\put(0,0){\circle{200}}%
+\@tfor\member:=#1\do{%
+   \expandafter\twoch@@r\member{}{}%
+   \if\@@tmpa 0\relax \putratom{87}{90}{\scriptsize\@@tmpb}\fi}%
+\@forsemicol\member:=#2\do{%
+\ifx\member\empty\else
+\expandafter\@m@mb@r\member;\relax%
+\expandafter\threech@r\@membera{}{}%
+\ifcase\@tmpa \putlratom{-40}{-33}{\@memberb}%central atom
+\or%
+   \put(0,100){\line(0,1){70}}% behind 
+   \putlratom{-30}{180}{\@memberb}%   and up
+\or%
+  {\thicklines%
+   \put(-60,10){\line(-5,2){140}}%   in front
+   \putlatom{-205}{30}{\@memberb}}%  and left
+\or%
+   \put(0,-100){\line(0,-1){90}}%     behind and
+   \putlratom{-30}{-260}{\@memberb}% down
+\or%
+  {\thicklines%
+   \put(60,10){\line(5,2){140}}%     in front
+   \putratom{210}{30}{\@memberb}}%   and right
+\fi\fi}%end of ifcase
+\end{picture}}%end of macro tetrastereo
+%    \end{macrocode}
+% \end{macro}
+% \end{macro}
+%
+% \subsection{Tetrahedral unit of inverse stereo type}
+%
+% The macro |\dtetrastereo| typesets another tetrahedral unit in a 
+% ball-stick fashion. 
+% The following numbering is adopted in this macro. 
+%
+% \begin{verbatim}
+% *****************************
+% * tetrahedral unit (stereo) *
+% *****************************
+%
+% The following numbering is adopted in this macro. 
+%
+%                1
+%
+%                |
+%          2  -- 0 --  4       0 <== the original point
+%                |
+%
+%                3
+% \end{verbatim}
+%
+%  This macro has an argument |SUBSLIST| as well as an optional 
+% argument |AUXLIST|. 
+%
+% \begin{verbatim}
+%   \dtetrastereo[AUXLIST]{SUBSLIST}
+% \end{verbatim}
+%
+% The arugument |AUXLIST| designates an character on the central 
+% atom of the formula drawn by this macro.  It can be used a plus 
+% or minus charge on the center.
+%
+% \begin{verbatim}
+%     AUXLIST = 
+%
+%     {0+} :  + charge (or another one chararacter) on the center
+% \end{verbatim}
+%
+% \begin{verbatim}
+%     SUBSLIST: list of substituents
+%
+%       for n = 1 to 4 
+%
+%           n          :  single bond at n-atom
+%
+%       for 0          :  cetral atom (e.g. 0==C)
+% \end{verbatim}
+%
+% \begin{verbatim}
+%       e.g. 
+%        
+%        \dtetrastereo{1==Cl;2==F}
+%        \dtetrastereo{1==Cl;4==F;2==CH$_{3}$}
+% \end{verbatim}
+%
+% \begin{macro}{\dtetrastereo}
+% \begin{macro}{\@dtetrastereo}
+%    \begin{macrocode}
+\def\dtetrastereo{\@ifnextchar[{\@dtetrastereo[r}{\@dtetrastereo[r]}}
+\def\@dtetrastereo#1]#2{%
+\begin{picture}(600,600)(-300,-300)
+  \iforigpt \put(-300,-300){\circle*{50}}%
+           \put(-\noshift,-\noshift){\circle{50}}% 
+   \typeout{command `dtetrastero' origin: %
+    (\the\noshift,\the\noshift) ---> (300,300)}\fi%
+\put(0,0){\circle{200}}%
+\@tfor\member:=#1\do{%
+   \expandafter\twoch@@r\member{}{}%
+   \if\@@tmpa 0\relax \putratom{87}{90}{\scriptsize\@@tmpb}\fi}%
+\@forsemicol\member:=#2\do{%
+\ifx\member\empty\else
+\expandafter\@m@mb@r\member;\relax%
+\expandafter\threech@r\@membera{}{}%
+\ifcase\@tmpa \putlratom{-40}{-33}{\@memberb}%central atom
+\or%
+   \put(0,100){\line(0,1){70}}% behind 
+   \putlratom{-30}{180}{\@memberb}%   and up
+\or%
+   \put(-94,-10){\line(-5,-2){108}}%   in back
+   \putlatom{-205}{-110}{\@memberb}%  and left
+\or%
+  {\thicklines%
+   \put(0,-50){\line(0,-1){150}}%     behind and
+   \putlratom{-30}{-260}{\@memberb}}% down
+\or%
+   \put(94,-10){\line(5,-2){108}}%     in back
+   \putratom{210}{-110}{\@memberb}%   and right
+\fi\fi}%end of ifcase
+\end{picture}}%end of macro dtetrastereo
+%    \end{macrocode}
+% \end{macro}
+% \end{macro}
+%
+% \subsection{Ethane unit of stereo type}
+%
+% The macro |\ethanestereo| typesets an ethane molecule in a 
+% ball-stick fashion. 
+% The following numbering is adopted in this macro. 
+%
+% \begin{verbatim}
+% **************************
+% * ethane unit (vertical) *
+% **************************
+%
+%               5
+%               |
+%        6 --  (2) -- 4
+%               |
+%               |
+%        1 --  (1) -- 3 <== the original point
+%               |
+%               2
+% \end{verbatim}
+%
+%  This macro has an argument |SUBSLIST| as well as an optional 
+% argument |AUXLIST|. 
+%
+% \begin{verbatim}
+%   \ethanestereo[AUXLIST]{ATOMLIST}{SUBSLIST}          
+% \end{verbatim}
+%
+% \begin{verbatim}
+%     AUXLIST: list of charges
+%
+%     {n+}   :  + charge (or another one chararacter) on n-atom
+% \end{verbatim}
+%
+% \begin{verbatim}
+%     SUBSLIST: list of substituents
+%
+%       for n = 1 to 6
+%
+%           n          :  single bond at n-atom
+%
+% \end{verbatim}
+%
+% \begin{verbatim}
+%     ATOMLIST: list of central atoms
+%
+%           n          :  atom for n-position (e.g. 1==C)
+%
+% \end{verbatim}
+%
+% \begin{verbatim}
+%       e.g. 
+%        
+%        \ethanestereo{1==Cl;2==F}
+%        \ethanestereo{1==C;2==C}{1==Cl;4==F;2==CH$_{3}$}
+% \end{verbatim}
+%
+% \begin{macro}{\ethanestereo}
+% \begin{macro}{\@ethanestereo}
+%    \begin{macrocode}
+\def\ethanestereo{\@ifnextchar[{\@ethanestereo}{\@ethanestereo[]}}
+\def\@ethanestereo[#1]#2#3{%
+\begin{picture}(600,800)(-300,-300)
+  \iforigpt \put(-300,-300){\circle*{50}}%
+           \put(-\noshift,-\noshift){\circle{50}}% 
+   \typeout{command `ethanestereo' origin: %
+    (\the\noshift,\the\noshift) ---> (300,300)}\fi%
+\put(0,0){\circle{200}}%
+\put(0,270){\circle{200}}%
+\put(0,100){\line(0,1){70}}% central bond
+\@tfor\member:=#1\do{%
+ \expandafter\twoch@@r\member{}{}%
+   \if\@@tmpa 1\relax \putratom{87}{90}{\scriptsize\@@tmpb}
+   \else\if\@@tmpa 2\relax \putratom{87}{360}{\scriptsize\@@tmpb}
+   \fi\fi}%
+\def\aaa{#2}%
+\ifx\aaa\empty\else%
+\@forsemicol\member:=#2\do{%
+\ifx\member\empty\else
+\expandafter\@m@mb@r\member;\relax%
+\expandafter\threech@r\@membera{}{}%
+\ifcase\@tmpa%
+\or\putratom{-40}{-33}{\@memberb}%central atom
+\or\putratom{-40}{237}{\@memberb}%central atom
+\fi\fi}%end of ifcase
+\fi% 
+\@forsemicol\member:=#3\do{%
+\ifx\member\empty\else
+\expandafter\@m@mb@r\member;\relax%
+\expandafter\threech@r\@membera{}{}%
+\ifcase\@tmpa \putlratom{-40}{-33}{\@memberb}%central atom
+\or%
+   \put(-94,-10){\line(-5,-2){108}}%   in back
+   \putlatom{-205}{-110}{\@memberb}%  and left
+\or%
+  {\thicklines%
+   \put(0,-50){\line(0,-1){150}}%     behind and
+   \putlratom{-30}{-260}{\@memberb}}% down
+\or%
+   \put(94,-10){\line(5,-2){108}}%     in back
+   \putratom{210}{-110}{\@memberb}%   and right
+% %%%%%%%%
+\or%
+  {\thicklines%
+   \put(60,280){\line(5,2){140}}%     in front
+   \putratom{210}{300}{\@memberb}}%   and right
+\or%
+   \put(0,370){\line(0,1){70}}% behind 
+   \putlratom{-30}{450}{\@memberb}%   and up
+\or%
+  {\thicklines%
+   \put(-60,280){\line(-5,2){140}}%   in front
+   \putlatom{-205}{300}{\@memberb}}%  and left
+\fi\fi}%end of ifcase
+\end{picture}}%end of macro ethanestereo
+%</aliphat>
+%    \end{macrocode}
+% \end{macro}
+% \end{macro}
+%
+% \Finale
+%
+\endinput
+
\ No newline at end of file
diff --git a/Master/texmf-dist/source/latex/xymtex/aliphat.ins b/Master/texmf-dist/source/latex/xymtex/aliphat.ins
new file mode 100644
index 00000000000..3339089e203
--- /dev/null
+++ b/Master/texmf-dist/source/latex/xymtex/aliphat.ins
@@ -0,0 +1,50 @@
+\def\batchfile{aliphat.ins}

+\input docstrip.tex

+\preamble

+

+This is a generated file.

+

+Copyright 1996, 1998 by Shinsaku Fujita

+

+This file is part of the XyMTeX system.

+=======================================

+

+Version 1.01 Released on August 16, 1996

+Version 1.02 Released on October 31, 1996

+Version 2.00 Released on December 25, 1998

+

+Copyright (C) 1996, 1998 by Shinsaku Fujita, all rights reserved.

+This style file is created for drawing chemical structural formulas 

+This style file is to be contained in the ``xymtex'' directory which 

+is an input directory for TeX. 

+

+Copying of this file is authorized only if either

+

+ (1) you make absolutely no changes to your copy, including name and 

+     directory name 

+ (2) if you do make changes, 

+     (a) you name it something other than the names included in the 

+         ``xymtex'' directory and 

+     (b) you acknowledge the original name. 

+ This restriction ensures that all standard styles are identical.

+

+=======================================

+

+This file contains several codes modified from latex.tex (LaTeX2.09) 

+and from latex.ltx (a LaTeX2e), the reused parts of which are subject to 

+Copyright 1994 the LaTeX3 project and the individual authors (For further 

+copyright information see the file legal.txt of the LaTeX2e standard 

+distribution, and any other copyright indicated in this file.)

+

+\endpreamble

+

+\keepsilent

+

+\generateFile{aliphat.drv}{t}{%

+  \from{aliphat.dtx}{driver}}

+

+\generateFile{aliphat.sty}{t}{%

+  \from{aliphat.dtx}{aliphat}}

+

+\endinput

+
\ No newline at end of file
diff --git a/Master/texmf-dist/source/latex/xymtex/carom.drv b/Master/texmf-dist/source/latex/xymtex/carom.drv
new file mode 100644
index 00000000000..447472204cd
--- /dev/null
+++ b/Master/texmf-dist/source/latex/xymtex/carom.drv
@@ -0,0 +1,82 @@
+%%
+%% This is file `carom.drv',
+%% generated with the docstrip utility.
+%%
+%% The original source files were:
+%%
+%% carom.dtx  (with options: `driver')
+%% 
+%% This is a generated file.
+%% 
+%% Copyright 1996, 1988, 2000 by Shinsaku Fujita
+%% 
+%% This file is part of the XyMTeX system.
+%% =======================================
+%% 
+%% Version 1.01 Released on August 16, 1996
+%% Version 1.02 Released on October 31, 1998
+%% Version 2.00 Released on December 25, 1998
+%% Version 2.00a Released on June 14, 2000
+%% 
+%% Copyright (C) 1996,1998,2000 by Shinsaku Fujita, all rights reserved.
+%% This style file is created for drawing chemical structural formulas
+%% This style file is to be contained in the ``xymtex'' directory which
+%% is an input directory for TeX.
+%% 
+%% Copying of this file is authorized only if either
+%% 
+%%  (1) you make absolutely no changes to your copy, including name and
+%%      directory name
+%%  (2) if you do make changes,
+%%      (a) you name it something other than the names included in the
+%%          ``xymtex'' directory and
+%%      (b) you acknowledge the original name.
+%%  This restriction ensures that all standard styles are identical.
+%% 
+%% =======================================
+%% 
+%% This file contains several codes modified from latex.tex (LaTeX2.09)
+%% and from latex.ltx (a LaTeX2e), the reused parts of which are subject to
+%% Copyright 1994 the LaTeX3 project and the individual authors (For further
+%% copyright information see the file legal.txt of the LaTeX2e standard
+%% distribution, and any other copyright indicated in this file.)
+%% 
+%% File: carom.dtx
+%% \CharacterTable
+%%  {Upper-case    \A\B\C\D\E\F\G\H\I\J\K\L\M\N\O\P\Q\R\S\T\U\V\W\X\Y\Z
+%%   Lower-case    \a\b\c\d\e\f\g\h\i\j\k\l\m\n\o\p\q\r\s\t\u\v\w\x\y\z
+%%   Digits        \0\1\2\3\4\5\6\7\8\9
+%%   Exclamation   \!     Double quote  \"     Hash (number) \#
+%%   Dollar        \$     Percent       \%     Ampersand     \&
+%%   Acute accent  \'     Left paren    \(     Right paren   \)
+%%   Asterisk      \*     Plus          \+     Comma         \,
+%%   Minus         \-     Point         \.     Solidus       \/
+%%   Colon         \:     Semicolon     \;     Less than     \<
+%%   Equals        \=     Greater than  \>     Question mark \?
+%%   Commercial at \@     Left bracket  \[     Backslash     \\
+%%   Right bracket \]     Circumflex    \^     Underscore    \_
+%%   Grave accent  \`     Left brace    \{     Vertical bar  \|
+%%   Right brace   \}     Tilde         \~}
+\NeedsTeXFormat{pLaTeX2e}
+\ProvidesFile{carom.dtx}[2000/06/14 v2.00a XyMTeX{} package file]
+\documentclass{ltxdoc}
+\GetFileInfo{carom.dtx}
+\def\UPSILON{\char'7}
+\def\XyM{X\kern-.30em\smash{%
+\raise.50ex\hbox{\UPSILON}}\kern-.30em{M}}
+\def\XyMTeX{\XyM\kern-.1em\TeX}
+\title{Drawing carbocyclic compounds by {\sffamily carom.sty}
+(\fileversion) of \XyMTeX{}}
+\author{Shinsaku Fujita \\
+Department of Chemistry and Materials Technology, \\
+Kyoto Institute of Technology, \\
+Matsugasaki, Sakyoku, Kyoto, 606-8585 Japan
+}
+\date{\filedate}
+\begin{document}
+   \maketitle
+   \DocInput{carom.dtx}
+\end{document}
+\endinput
+%%
+%% End of file `carom.drv'.
diff --git a/Master/texmf-dist/source/latex/xymtex/carom.dtx b/Master/texmf-dist/source/latex/xymtex/carom.dtx
new file mode 100644
index 00000000000..096112e2511
--- /dev/null
+++ b/Master/texmf-dist/source/latex/xymtex/carom.dtx
@@ -0,0 +1,4615 @@
+% \iffalse meta-comment

+%% File: carom.dtx

+%

+%  Copyright 1993,1996,1998,2000 by Shinsaku Fujita

+%

+%  This file is part of XyMTeX system.

+%  -------------------------------------

+%

+% This file is a successor to:

+%

+% carom.sty

+% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%

+% \typeout{XyMTeX for Drawing Chemical Structural Formulas. Version 1.00}

+% \typeout{       -- Released December 1, 1993 by Shinsaku Fujita}

+% Copyright (C) 1993 by Shinsaku Fujita, all rights reserved.

+%

+% This file is a part of the macro package ``XyMTeX'' which has been 

+% designed for typesetting chemical structural formulas.

+%

+% This file is to be contained in the ``xymtex'' directory which is 

+% an input directory for TeX. It is a LaTeX optional style file and 

+% should be used only within LaTeX, because several macros of the file 

+% are based on LaTeX commands. 

+%

+% For the review of XyMTeX, see

+%  (1)  Shinsaku Fujita, ``Typesetting structural formulas with the text

+%    formatter TeX/LaTeX'', Computers and Chemistry, in press.    

+% The following book deals with an application of TeX/LaTeX to 

+% preparation of manuscripts of chemical fields:

+%  (2)  Shinsaku Fujita, ``LaTeX for Chemists and Biochemists'' 

+%    Tokyo Kagaku Dozin, Tokyo (1993) [in Japanese].  

+%

+% Copying of this file is authorized only if either

+%  (1) you make absolutely no changes to your copy, including name and 

+%     directory name; or

+%  (2) if you do make changes, 

+%     (a) you name it something other than the names included in the 

+%         ``xymtex'' directory and 

+%     (b) you are requested to leave this notice intact.

+% This restriction ensures that all standard styles are identical.

+%

+% Please report any bugs, comments, suggestions, etc. to:

+%   Shinsaku Fujita, 

+%   Department of Chemistry and Materials Technology,

+%   Kyoto Institute of Technology,

+%   Matsugasaki, Sakyoku, Kyoto, 606, Japan

+%

+% New address:

+%   Shinsaku Fujita, 

+%   Department of Chemistry and Materials Technology, 

+%   Kyoto Institute of Technology, \\

+%   Matsugasaki, Sakyoku, Kyoto, 606 Japan

+% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%

+% \def\j@urnalname{carom}

+% \def\versi@ndate{August 16, 1996}

+% \def\versi@nno{ver1.01}

+% \def\copyrighth@lder{SF} % Shinsaku Fujita

+% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%

+%

+% Please report any bugs, comments, suggestions, etc. to:

+%   Shinsaku Fujita, 

+%   Ashigara Research Laboratories, Fuji Photo Film Co., Ltd., 

+%   Minami-Ashigara, Kanagawa-ken, 250-01, Japan.

+% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%

+% \def\j@urnalname{carom}

+% \def\versi@ndate{December 01, 1993}

+% \def\versi@nno{ver1.00}

+% \def\copyrighth@lder{SF} % Shinsaku Fujita

+% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%

+% \def\j@urnalname{carom}

+% \def\versi@ndate{August 16, 1996}

+% \def\versi@nno{ver1.01}

+% \def\copyrighth@lder{SF} % Shinsaku Fujita

+% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%

+% \def\j@urnalname{carom}

+% \def\versi@ndate{October 31, 1998}

+% \def\versi@nno{ver1.02}

+% \def\copyrighth@lder{SF} % Shinsaku Fujita

+% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%

+% \def\j@urnalname{carom}

+% \def\versi@ndate{December 25, 1998}

+% \def\versi@nno{ver2.00}

+% \def\copyrighth@lder{SF} % Shinsaku Fujita

+% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%

+%

+% \fi

+%

+% \CheckSum{3134}

+%% \CharacterTable

+%%  {Upper-case    \A\B\C\D\E\F\G\H\I\J\K\L\M\N\O\P\Q\R\S\T\U\V\W\X\Y\Z

+%%   Lower-case    \a\b\c\d\e\f\g\h\i\j\k\l\m\n\o\p\q\r\s\t\u\v\w\x\y\z

+%%   Digits        \0\1\2\3\4\5\6\7\8\9

+%%   Exclamation   \!     Double quote  \"     Hash (number) \#

+%%   Dollar        \$     Percent       \%     Ampersand     \&

+%%   Acute accent  \'     Left paren    \(     Right paren   \)

+%%   Asterisk      \*     Plus          \+     Comma         \,

+%%   Minus         \-     Point         \.     Solidus       \/

+%%   Colon         \:     Semicolon     \;     Less than     \<

+%%   Equals        \=     Greater than  \>     Question mark \?

+%%   Commercial at \@     Left bracket  \[     Backslash     \\

+%%   Right bracket \]     Circumflex    \^     Underscore    \_

+%%   Grave accent  \`     Left brace    \{     Vertical bar  \|

+%%   Right brace   \}     Tilde         \~}

+%

+% \setcounter{StandardModuleDepth}{1}

+%

+% \StopEventually{}

+% \MakeShortVerb{\|}

+%

+% \iffalse

+% \changes{v1.01}{1996/08/16}{first edition for LaTeX2e}

+% \changes{v1.02}{1998/10/31}{revised edition for LaTeX2e}

+% \changes{v2.00}{1998/12/25}{enhanced edition for LaTeX2e}

+% \changes{v2.00a}{2000/06/14}{bug fix}

+% \fi

+%

+% \iffalse

+%<*driver>

+\NeedsTeXFormat{pLaTeX2e}

+% \fi

+% \ProvidesFile{carom.dtx}[1998/12/25 v2.00 XyMTeX{} package file]

+\ProvidesFile{carom.dtx}[2000/06/14 v2.00a XyMTeX{} package file]

+% \iffalse

+\documentclass{ltxdoc}

+\GetFileInfo{carom.dtx}

+%

+% %%XyMTeX Logo: Definition 2%%%

+\def\UPSILON{\char'7}

+\def\XyM{X\kern-.30em\smash{%

+\raise.50ex\hbox{\UPSILON}}\kern-.30em{M}}

+\def\XyMTeX{\XyM\kern-.1em\TeX}

+% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%

+\title{Drawing carbocyclic compounds by {\sffamily carom.sty} 

+(\fileversion) of \XyMTeX{}}

+\author{Shinsaku Fujita \\ 

+Department of Chemistry and Materials Technology, \\

+Kyoto Institute of Technology, \\

+Matsugasaki, Sakyoku, Kyoto, 606-8585 Japan

+% % (old address)

+% % Ashigara Research Laboratories, 

+% % Fuji Photo Film Co., Ltd., \\ 

+% % Minami-Ashigara, Kanagawa, 250-01 Japan

+}

+\date{\filedate}

+%

+\begin{document}

+   \maketitle

+   \DocInput{carom.dtx}

+\end{document}

+%</driver>

+% \fi

+%

+% \section{Introduction}\label{carom:intro}

+%

+% \subsection{Options for {\sffamily docstrip}}

+%

+% \DeleteShortVerb{\|}

+% \begin{center}

+% \begin{tabular}{|l|l|}

+% \hline

+% \emph{option} & \emph{function}\\ \hline

+% carom & carom.sty \\

+% driver & driver for this dtx file \\

+% \hline

+% \end{tabular}

+% \end{center}

+% \MakeShortVerb{\|}

+%

+% \subsection{Version Information}

+%

+%    \begin{macrocode}

+%<*carom>

+\typeout{XyMTeX for Drawing Chemical Structural Formulas. Version 2.00}

+\typeout{       -- Released December 25, 1998 by Shinsaku Fujita}

+% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%

+\def\j@urnalname{carom}

+\def\versi@ndate{June 14, 2000}

+\def\versi@nno{ver2.00a}

+\def\copyrighth@lder{SF} % Shinsaku Fujita

+% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%

+\typeout{XyMTeX Macro File `\j@urnalname' (\versi@nno) <\versi@ndate>%

+\space[\copyrighth@lder]}

+%    \end{macrocode}

+%

+% \section{List of commands for carom.sty}

+%

+% \begin{verbatim}

+% *******************************

+% * carom.sty: list of commands *

+% *******************************

+%

+%   <VERTICAL TYPE>

+%

+%     \cyclohexanev               \@cyclohexanev

+%     \bzdrv                      \@bzdrv

+%     \decalinev                  \@decalinev

+%     \decalinevb                 \@decalinevb

+%     \decalinevt                 \@decalinevt

+%     \naphdrv                    \@naphdrv

+%     \naphdrvb                   \@naphdrvb

+%     \naphdrvt                   \@naphdrvt

+%     \tetralinev                 \@tetralinev

+%     \tetralinevb                \@tetralinevb

+%     \tetralinevt                \@tetralinevt

+%     \hanthracenev               \@hanthracenev

+%     \anthracenev                \@anthracenev

+%     \hphenanthrenev             \@hphenanthrenev

+%     \phenanthrenev              \@phenanthrenev

+%     \steroid                    \@steroid

+%     \steroidchain               \@steroidchain

+% \end{verbatim}

+%

+% \begin{verbatim}

+%   <HORIZONTAL TYPE>

+%

+%     \cyclohexaneh               \@cyclohexaneh

+%     \bzdrh                      \@bzdrh

+%     \decalineh                  \@decalineh

+%     \naphdrh                    \@naphdrh

+%     \tetralineh                 \@tetralineh

+%

+% \end{verbatim}

+%

+% \section{Input of basic macros}

+%

+% To assure the compatibility to \LaTeX{}2.09 (the native mode), 

+% the commands added by \LaTeXe{} have not been used in the resulting sty 

+% files ({\sf carom.sty} for the present case).  Hence, the combination 

+% of |\input| and |\@ifundefined| is used to crossload sty 

+% files ({\sf chemstr.sty} for the present case) in place of the 

+% |\RequirePackage| command of \LaTeXe{}. 

+%    \begin{macrocode}

+% *************************

+% * input of basic macros *

+% *************************

+\@ifundefined{setsixringv}{\input chemstr.sty\relax}{}

+\@ifundefined{decaheterov}{\input hetarom.sty\relax}{}

+\@ifundefined{decaheteroh}{\input hetaromh.sty\relax}{}

+\unitlength=0.1pt

+%    \end{macrocode}

+%

+% \section{Cyclohexane derivatives}

+% \subsection{Vertical cyclohexanes}

+%

+% The macro |\cyclohexanev| is used for drawing cyclohexane derivatives 

+% of vertical type.  The skeleton and endocyclic double bonds are

+% drawn directly, while substituents and exocyclic bonds are placed by 

+% useing the inner macro |\setsixringv|. 

+% 

+% \begin{verbatim}

+% ***************************

+% * cyclohexane derivatives *

+% *  (vertical type)        *

+% ***************************

+% The following numbering is adopted in this macro. 

+%

+%          1

+%          *  

+%     6  *   *  2

+%       |     |

+%       |     |

+%     5  *   *  3

+%          *

+%          4 <===== the original point

+%

+% \end{verbatim}

+%

+% The macro |\cyclohexanev| has an argument |SUBSLIST| as well as an optional 

+% argument |BONDLIST|.  

+% \begin{verbatim}

+%   \cyclohexanev[BONDLIST]{SUBSLIST}          

+% \end{verbatim}

+%

+% The |BONDLIST| argument contains one or more 

+% characters selected form a to f as well as A, each of which indicates 

+% the presence of an inner (endcyclic) double bond on the corresponding 

+% position. 

+%

+% \begin{verbatim}

+%     BONDLIST = 

+%

+%           none       :  cyclohexane

+%           a          :  1,2-double bond

+%           b          :  2,3-double bond

+%           c          :  4,3-double bond

+%           d          :  4,5-double bond

+%           e          :  5,6-double bond

+%           f          :  6,1-double bond

+%           A          :  aromatic circle 

+% \end{verbatim}

+%

+% The |SUBSLIST| argument contains one or more substitution descriptors 

+% which are separated from each other by a semicolon.  Each substitution 

+% descriptor has a locant number with a bond modifier and a substituent, 

+% where these are separated with a double equality symbol. 

+%

+% \begin{verbatim}

+%     SUBSLIST: list of substituents

+%

+%       for n = 1 to 6 

+%

+%           nD         :  exocyclic double bond at n-atom

+%           n or nS    :  exocyclic single bond at n-atom

+%           nA         :  alpha single bond at n-atom

+%           nB         :  beta single bond at n-atom

+%           nSA        :  alpha single bond at n-atom (boldface)

+%           nSB        :  beta single bond at n-atom (dotted line)

+%           nSa        :  alpha (not specified) single bond at n-atom

+%           nSb        :  beta (not specifed) single bond at n-atom

+%

+%           nSd        :  alpha single bond at n-atom (dotted line) 

+%                           with an alternative direction to nSA 

+%           nSu        :  beta single bond at n-atom (boldface) 

+%                           with an alternative direction to nSB 

+%           nFA        :  alpha single bond at n-atom (dotted line) 

+%                           for ring fusion 

+%           nFB        :  beta single bond at n-atom (boldface) 

+%                           for ring fusion 

+%           nGA        :  alpha single bond at n-atom (dotted line) 

+%                           for the other ring fusion 

+%           nGB        :  beta single bond at n-atom (boldface) 

+%                           for the other ring fusion 

+% \end{verbatim}

+%

+% \begin{verbatim}

+%       e.g. 

+%        

+%        \cyclohexanev{1==Cl;2==F}

+%        \cyclohexanev[c]{1==Cl;4==F;2==CH$_{3}$}

+%        \cyclohexanev[eb]{1D==O;4SA==MeO;4SB==OMe;5W==Cl;6==Cl}

+% \end{verbatim}

+%

+% \begin{macro}{\cyclohexanev}

+%    \begin{macrocode}

+\def\cyclohexanev{\@ifnextchar[{\@cyclohexanev[@}{\@cyclohexanev[@]}}

+\def\@cyclohexanev[#1]#2{\sixheterov[#1]{}{#2}}

+%    \end{macrocode}

+% \end{macro}

+%

+% The following definition has been deleted. 

+%

+% \changes{v1.02}{1998/10/31}{Adding \cs{ylposition}, \cs{@ylsw},

+% \cs{yl@shifti}, \cs{@ylii}, \cs{yl@shiftii}, \cs{@ylii}, 

+% \cs{yl@xdiff} and \cs{yl@ydiff}}

+% \changes{v2.00}{1998/11/23}{Adding \cs{set@fusionadd@sixv}}

+%

+% \begin{verbatim}

+% (Old defition)

+% % \begin{macro}{\cyclohexanev}

+% %    \begin{macrocode}

+% \def\cyclohexanev{\@ifnextchar[{\@cyclohexanev[@}{\@cyclohexanev[@]}}

+% \def\@cyclohexanev[#1]#2{%

+% \iniatom\iniflag%initialize

+% \@reset@ylsw%

+% \ylposition{#2}{0}{0}{7}{0}%

+% \if@ylsw

+%  \yl@shiftii=\@ylii

+%  \yl@shifti=\@yli

+%  \advance\yl@shiftii\yl@xdiff

+%  \advance\yl@shifti\yl@ydiff

+%  \begin{picture}(0,0)(-\yl@shiftii,-\yl@shifti)

+%  \reset@yl@xydiff%1999/1/6 by S. Fujita

+% \else

+%  \begin{picture}(800,880)(-\shiftii,-\shifti)

+%   \iforigpt \put(-\shiftii,-\shifti){\circle*{50}}%

+%            \put(-\noshift,-\noshift){\circle{50}}% 

+%    \typeout{command `cyclohexanev' origin: %

+%     (\the\noshift,\the\noshift) ---> (\the\shiftii,\the\shifti)}\fi%

+% \fi

+%   \put(0,406){\line(-5,-3){171}}%       %bond 1-6     8-7

+%   \put(0,406){\line(5,-3){171}}%        %bond 1-2     8-8a

+%   \put(0,0){\line(-5,3){171}}%          %bond 4-5     5-6

+%   \put(0,0){\line(5,3){171}}%           %bond 4-3     5-4a

+%   \put(171,103){\line(0,1){200}}%       %bond 3-2     4a-8a

+%   \put(-171,103){\line(0,1){200}}%      %bond 5-6     6-7

+% \@tfor\member:=#1\do{%

+% \if\member r%no endocyclic double bonds

+% \else\if\member a%

+%   \put(6,364){\line(5,-3){126}}%        %double bond 1-2    8-8a 

+% \else\if\member b%

+%   \put(138,129){\line(0,1){148}}%       %double bond 3-2    4a-8a

+% \else\if\member c%

+%   \put(6,42){\line(5,3){126}}%          %double bond 4-3    5-4a

+% \else\if\member d%

+%   \put(-6,42){\line(-5,3){126}}%        %double bond 4-5    5-6

+% \else\if\member e%

+%   \put(-138,129){\line(0,1){148}}%      %double bond 5-6    6-7

+% \else\if\member f%

+%   \put(-6,364){\line(-5,-3){126}}%      %double bond 1-6    8-7

+% \else\if\member A%left aromatic circle 

+%   \put(0,203){\circle{240}}            %circle

+% \else \expandafter\twoCH@@R\member//%

+%       \set@fusionadd@sixv

+% \fi\fi\fi\fi\fi\fi\fi\fi}%

+% % %%%%%%%%%%%%%%%%%%%%%%%%

+% % % setting substituents %

+% % %%%%%%%%%%%%%%%%%%%%%%%%

+% \setsixringv{#2}{0}{0}{7}{0}%

+% \end{picture}}%end of \cyclohexanev macro

+% %    \end{macrocode}

+% % \end{macro}

+% \end{verbatim}

+%

+% \subsection{Horizontal cyclohexanes}

+%

+% The macro |cyclohexaneh| is used for drawing cyclohexane derivatives 

+% of vertical type.  The skeleton and endocyclic double bonds are

+% drawn directly, while substituents and exocyclic bonds are placed by 

+% useing the inner macro |\setsixringh|. 

+% 

+% \begin{verbatim}

+% ***************************

+% * cyclohexane derivatives *

+% *  (horizontal type)      *

+% ***************************

+% The following numbering is adopted in this macro. 

+%

+%                                2      3

+%                                 -----

+%                               *       *

+%   the original point ===> 1 *           * 4

+%          (0,0)                *       *

+%                                 -----

+%                                6      5

+% \end{verbatim}

+%

+% The macro |\cyclohexaneh| has an argument |SUBSLIST| as well as an optional 

+% argument |BONDLIST|.  

+%

+% \begin{verbatim}

+%   \cyclohexaneh[BONDLIST]{SUBSLIST}          

+% \end{verbatim}

+%

+% The |BONDLIST| argument contains one or more 

+% characters selected form a to f as well as A, each of which indicates 

+% the presence of an inner (endcyclic) double bond on the corresponding 

+% position. 

+%

+% \begin{verbatim}

+%     BONDLIST = 

+%

+%           none       :  cyclohexane

+%           a          :  1,2-double bond

+%           b          :  2,3-double bond

+%           c          :  4,3-double bond

+%           d          :  4,5-double bond

+%           e          :  5,6-double bond

+%           f          :  6,1-double bond

+%           A          :  aromatic circle 

+% \end{verbatim}

+%

+% The |SUBSLIST| argument contains one or more substitution descriptors 

+% which are separated from each other by a semicolon.  Each substitution 

+% descriptor has a locant number with a bond modifier and a substituent, 

+% where these are separated with a double equality symbol. 

+%

+% \begin{verbatim}

+%     SUBSLIST: list of substituents

+%

+%       for n = 1 to 6 

+%

+%           nD         :  exocyclic double bond at n-atom

+%           n or nS    :  exocyclic single bond at n-atom

+%           nA         :  alpha single bond at n-atom

+%           nB         :  beta single bond at n-atom

+%           nSA        :  alpha single bond at n-atom (boldface)

+%           nSB        :  beta single bond at n-atom (dotted line)

+%           nSa        :  alpha (not specified) single bond at n-atom

+%           nSb        :  beta (not specifed) single bond at n-atom

+%

+%           nSd        :  alpha single bond at n-atom (dotted line) 

+%                           with an alternative direction to nSA 

+%           nSu        :  beta single bond at n-atom (boldface) 

+%                           with an alternative direction to nSB 

+%           nFA        :  alpha single bond at n-atom (dotted line) 

+%                           for ring fusion 

+%           nFB        :  beta single bond at n-atom (boldface) 

+%                           for ring fusion 

+%           nGA        :  alpha single bond at n-atom (dotted line) 

+%                           for the other ring fusion 

+%           nGB        :  beta single bond at n-atom (boldface) 

+%                           for the other ring fusion 

+% \end{verbatim}

+%

+% \begin{verbatim}

+%       e.g. 

+%        

+%        \cyclohexaneh{1==Cl;2==F}

+%        \cyclohexaneh[c]{1==Cl;4==F;2==CH$_{3}$}

+%        \cyclohexaneh[eb]{1D==O;4SA==MeO;4SB==OMe;5W==Cl;6==Cl}

+% \end{verbatim}

+%

+% \changes{v2.00a}{2000/06/14}{bug fix: changed letter [r] to [@] 

+% in \cs{cycohexaneh} for horizontal cyclohexanes}

+%

+% \begin{macro}{\cyclohexaneh}

+%    \begin{macrocode}

+\def\cyclohexaneh{\@ifnextchar[{\@cyclohexaneh[@}{\@cyclohexaneh[@]}}

+\def\@cyclohexaneh[#1]#2{\sixheteroh[#1]{}{#2}}

+%    \end{macrocode}

+% \end{macro}

+%

+% The following definition has been deleted. 

+%

+% \changes{v1.02}{1998/10/31}{Adding \cs{ylpositionh}, \cs{if@ylsw},

+% \cs{yl@shifti}, \cs{@ylii}, \cs{yl@shiftii}, \cs{@ylii}, 

+% \cs{yl@xdiff} and \cs{yl@ydiff}}

+% \changes{v2.00}{1998/11/29}{Adding \cs{set@fusionadd@sixv} for 

+% fused rings}

+%

+% \begin{verbatim}

+% (Old defition)

+% % \begin{macro}{\cyclohexaneh}

+% %    \begin{macrocode}

+% \def\cyclohexaneh{\@ifnextchar[{\@cyclohexaneh[@}{\@cyclohexaneh[r]}}

+% \def\@cyclohexaneh[#1]#2{%

+% \iniatom\iniflag%initialize

+% \@reset@ylsw%

+% \ylpositionh{#2}{0}{0}{7}{0}%

+% \if@ylsw

+%  \yl@shiftii=\@ylii

+%  \yl@shifti=\@yli

+%  \advance\yl@shiftii\yl@xdiff

+%  \advance\yl@shifti\yl@ydiff

+%  \begin{picture}(0,0)(-\yl@shiftii,-\yl@shifti)

+%  \reset@yl@xydiff%1999/1/6 by S. Fujita

+% \else

+%  \begin{picture}(880,800)(-\shifti,-\shiftii)

+%   \iforigpt \put(-\shifti,-\shiftii){\circle*{50}}%

+%            \put(-\noshift,-\noshift){\circle{50}}% 

+%    \typeout{command `cyclohexaneh' origin: %

+%     (\the\noshift,\the\noshift) ---> (\the\shifti,\the\shiftii)}\fi%

+% \fi

+%   \put(0,0){\line(3,5){103}}%           %bond 1-2

+%   \put(0,0){\line(3,-5){103}}%          %bond 1-6

+%   \put(406,0){\line(-3,5){103}}%        %bond 4-3

+%   \put(406,0){\line(-3,-5){103}}%       %bond 4-3

+%   \put(103,171){\line(1,0){200}}%       %bond 2-3

+%   \put(103,-171){\line(1,0){200}}%      %bond 6-5

+% \@tfor\member:=#1\do{%

+% \if\member r%no endcyclic double bonds

+% \else\if\member a%

+%   \put(42,6){\line(3,5){78}}%           %double bond 1-2

+% \else\if\member b%

+%   \put(129,138){\line(1,0){148}}%       %double bond 2-3

+% \else\if\member c%

+%   \put(364,6){\line(-3,5){78}}%         %double bond 4-3

+% \else\if\member d%

+%   \put(364,-6){\line(-3,-5){78}}%       %double bond 4-5

+% \else\if\member e%

+%   \put(129,-138){\line(1,0){148}}%      %double bond 6-5

+% \else\if\member f%

+%   \put(42,-6){\line(3,-5){78}}%         %double bond 1-6

+% \else\if\member A%left aromatic circle 

+%   \put(203,0){\circle{240}}%            %circle

+% \else

+%    \expandafter\twoCH@@R\member//%

+%    \set@fusionadd@sixh

+% \fi\fi\fi\fi\fi\fi\fi\fi}%

+% %%

+% \setsixringh{#2}{0}{0}{7}{0}%

+% \end{picture}}%               %end of \cyclohexaneh macro

+% %    \end{macrocode}

+% % \end{macro}

+% \end{verbatim}

+%

+% \section{Benzene and benzoquinone derivatives}

+% \subsection{Vertical type}

+%

+% The macro |\bzdrv| is used for drawing benzene derivatives 

+% of vertical type as well as benzoquinone derivatives of 

+% vertical type. The skeleton and endocyclic double bonds are

+% drawn directly, while substituents and exocyclic bonds are placed by 

+% useing the inner macro |\cyclohexanev| defined above. 

+% 

+% The macro |\bzdrv| has an argument |SUBSLIST| as well as an optional 

+% argument |OPT|.  The latter designates a bond pattern in place of  

+% individual exocyclic bonds. 

+%

+% \begin{verbatim}

+% ****************************************

+% * benzene and benzoquinone derivatives *

+% *  (vertical type)                     *

+% ****************************************

+%

+%   \bzdrv[OPT]{SUBSLIST}          

+% \end{verbatim}

+%

+% The |OPT| argument contains one character (r, l or c) for designate

+% aromatic bond patterns or two characters (p? or o?) for quinone 

+% bond patterns. 

+%

+% \begin{verbatim}

+%

+%     OPT: (bond pattern)

+%

+%           none  or r :  right-handed set of double bonds 

+%           l          :  left-handed set of double bonds 

+%           c          :  aromatic circle

+%

+%           p or pa    :  p-quinone (A)

+%           pb         :  p-quinone (B)

+%           pc         :  p-quinone (C)

+%

+%           o or oa    :  o-quinone (A)

+%           ob         :  o-quinone (B)

+%           oc         :  o-quinone (C)

+%           od         :  o-quinone (D)

+%           oe         :  o-quinone (E)

+%           of         :  o-quinone (F)

+% \end{verbatim}

+%

+% The |SUBSLIST| argument contains one or more substitution descriptors 

+% which are separated from each other by a semicolon.  Each substitution 

+% descriptor has a locant number with a bond modifier and a substituent, 

+% where these are separated with a double equality symbol. 

+%

+% \begin{verbatim}

+%

+%     SUBSLIST: list of substituents

+%

+%       for n = 1 to 6 

+%

+%           nD         :  exocyclic double bond at n-atom

+%           n or nS    :  exocyclic single bond at n-atom

+%           nA         :  alpha single bond at n-atom

+%           nB         :  beta single bond at n-atom

+%           nSA        :  alpha single bond at n-atom (boldface)

+%           nSB        :  beta single bond at n-atom (dotted line)

+%           nSa        :  alpha (not specified) single bond at n-atom

+%           nSb        :  beta (not specified) single bond at n-atom

+%

+%           nSd        :  alpha single bond at n-atom (dotted line) 

+%                           with an alternative direction to nSA 

+%           nSu        :  beta single bond at n-atom (boldface) 

+%                           with an alternative direction to nSB 

+%           nFA        :  alpha single bond at n-atom (dotted line) 

+%                           for ring fusion 

+%           nFB        :  beta single bond at n-atom (boldface) 

+%                           for ring fusion 

+%           nGA        :  alpha single bond at n-atom (dotted line) 

+%                           for the other ring fusion 

+%           nGB        :  beta single bond at n-atom (boldface) 

+%                           for the other ring fusion 

+% \end{verbatim}

+%

+% \begin{verbatim}

+%       e.g. 

+%        \bzdrv{1==Cl;2==F}

+%        \bzdrv[c]{1==Cl;4==F;2==CH$_{3}$}

+%        \bzdrv[pa]{1D==O;4D==O;2==CH$_{3}$}

+% \end{verbatim}

+%

+% \begin{macro}{\bzdrv}

+%    \begin{macrocode}

+\def\bzdrv{\@ifnextchar[{\@bzdrv}{\@bzdrv[r]}}

+\def\@bzdrv[#1]#2{%

+\iforigpt \typeout{command `bzdrv' is based on `cyclohexanev'.}\fi%

+%\expandafter\twoch@r#1{}%

+\expandafter\twoCH@R#1//%

+\if\@tmpa r% right-handed set of double bonds

+ \ifx\@tmpb\empty

+  \cyclohexanev[bdf]{#2}%

+ \fi

+\else\if\@tmpa l%left-handed set of double bonds

+ \ifx\@tmpb\empty

+  \cyclohexanev[ace]{#2}%

+ \fi

+\else\if\@tmpa c%aromatic circle

+ \ifx\@tmpb\empty

+  \cyclohexanev[A]{#2}%

+ \fi

+\else\if\@tmpa p%p-quinone

+ \if\@tmpb a% (A)

+  \cyclohexanev[be]{#2}%

+ \else\ifx\@tmpb\empty% (A)

+  \cyclohexanev[be]{#2}%

+ \else\if\@tmpb b% (B)

+  \cyclohexanev[cf]{#2}%

+ \else\if\@tmpb c% (C)

+  \cyclohexanev[ad]{#2}%

+ \fi\fi\fi\fi%

+\else\if\@tmpa o%o-quinone

+  \if\@tmpb a% (A)%

+   \cyclohexanev[ce]{#2}%

+  \else\ifx\@tmpb\empty% (A)

+   \cyclohexanev[ce]{#2}%

+  \else\if\@tmpb b%o-quinone (B)

+   \cyclohexanev[df]{#2}%

+  \else\if\@tmpb c%o-quinone (C)

+   \cyclohexanev[ae]{#2}%

+  \else\if\@tmpb d%o-quinone (D)

+   \cyclohexanev[bf]{#2}%

+  \else\if\@tmpb e%o-quinone (E)

+   \cyclohexanev[ac]{#2}%

+  \else\if\@tmpb f%o-quinone (F)

+   \cyclohexanev[bd]{#2}%

+  \fi\fi\fi\fi\fi\fi\fi%

+\else% added 1998/11/15 by S. Fujita

+   \cyclohexanev[@#1]{#2}%

+\fi\fi\fi\fi\fi%

+}%               %end of \bzdrv macro

+%    \end{macrocode}

+% \end{macro}

+%

+% \subsection{Horizontal type}

+%

+% The macro |\bzdrh| is used for drawing benzene derivatives 

+% of vertical type as well as benzoquinone derivatives of 

+% vertical type. The skeleton and endocyclic double bonds are

+% drawn directly, while substituents and exocyclic bonds are placed by 

+% useing the inner macro |\cyclohexanev| defined above. 

+% 

+% The macro |\bzdrh| has an argument |SUBSLIST| as well as an optional 

+% argument |OPT|.  The latter designates a bond pattern in place of  

+% individual exocyclic bonds. 

+%

+% \begin{verbatim}

+% ****************************************

+% * benzene and benzoquinone derivatives *

+% *  (horizontal type)                   *

+% ****************************************

+%

+%   \bzdrh[OPT]{SUBSLIST}          

+% \end{verbatim}

+%

+% The |OPT| argument contains one character (r, l or c) for designate

+% aromatic bond patterns or two characters (p? or o?) for quinone 

+% bond patterns. 

+%

+% \begin{verbatim}

+%

+%     OPT: (bond pattern)

+%

+%           none  or r :  right-handed set of double bonds 

+%           l          :  left-handed set of double bonds 

+%           c          :  aromatic circle

+%

+%           p or pa    :  p-quinone (A)

+%           pb         :  p-quinone (B)

+%           pc         :  p-quinone (C)

+%

+%           o or oa    :  o-quinone (A)

+%           ob         :  o-quinone (B)

+%           oc         :  o-quinone (C)

+%           od         :  o-quinone (D)

+%           oe         :  o-quinone (E)

+%           of         :  o-quinone (F)

+% \end{verbatim}

+%

+% The |SUBSLIST| argument contains one or more substitution descriptors 

+% which are separated from each other by a semicolon.  Each substitution 

+% descriptor has a locant number with a bond modifier and a substituent, 

+% where these are separated with a double equality symbol. 

+%

+% \begin{verbatim}

+%

+%     SUBSLIST: list of substituents

+%

+%       for n = 1 to 6 

+%

+%           nD         :  exocyclic double bond at n-atom

+%           n or nS    :  exocyclic single bond at n-atom

+%           nA         :  alpha single bond at n-atom

+%           nB         :  beta single bond at n-atom

+%           nSA        :  alpha single bond at n-atom (boldface)

+%           nSB        :  beta single bond at n-atom (dotted line)

+%           nSa        :  alpha (not specified) single bond at n-atom

+%           nSb        :  beta (not specified) single bond at n-atom

+%

+%           nSd        :  alpha single bond at n-atom (dotted line) 

+%                           with an alternative direction to nSA 

+%           nSu        :  beta single bond at n-atom (boldface) 

+%                           with an alternative direction to nSB 

+%           nFA        :  alpha single bond at n-atom (dotted line) 

+%                           for ring fusion 

+%           nFB        :  beta single bond at n-atom (boldface) 

+%                           for ring fusion 

+%           nGA        :  alpha single bond at n-atom (dotted line) 

+%                           for the other ring fusion 

+%           nGB        :  beta single bond at n-atom (boldface) 

+%                           for the other ring fusion 

+% \end{verbatim}

+%

+% \begin{verbatim}

+%

+%       e.g. 

+%        \bzdrh{1==Cl;2==F}

+%        \bzdrh[c]{1==Cl;4==F;2==CH$_{3}$}

+%        \bzdrh[pa]{1D==O;4D==O;2==CH$_{3}$}

+%

+% \end{verbatim}

+%

+% \begin{macro}{\bzdrh}

+%    \begin{macrocode}

+\def\bzdrh{\@ifnextchar[{\@bzdrh}{\@bzdrh[r]}}

+\def\@bzdrh[#1]#2{%

+\iforigpt \typeout{command `bzdrh' is based on `cyclohexaneh'.}\fi%

+%\expandafter\twoch@r#1{}%

+\expandafter\twoCH@R#1//%

+%\begin{picture}(800,880)(-\noshift,-\noshift)

+\if\@tmpa r% right-handed set of double bonds

+  \cyclohexaneh[bdf]{#2}%

+\else\if\@tmpa l%left-handed set of double bonds

+  \cyclohexaneh[ace]{#2}%

+\else\if\@tmpa c%aromatic circle

+  \cyclohexaneh[A]{#2}%

+\else\if\@tmpa p%p-quinone

+ \if\@tmpb a% (A)

+  \cyclohexaneh[be]{#2}%

+ \else\ifx\@tmpb\empty% (A)

+  \cyclohexaneh[be]{#2}%

+ \else\if\@tmpb b% (B)

+  \cyclohexaneh[cf]{#2}%

+ \else\if\@tmpb c% (C)

+  \cyclohexaneh[ad]{#2}%

+ \fi\fi\fi\fi%

+\else\if\@tmpa o%o-quinone

+  \if\@tmpb a% (A)%

+   \cyclohexaneh[ce]{#2}%

+  \else\ifx\@tmpb\empty% (A)

+   \cyclohexaneh[ce]{#2}%

+  \else\if\@tmpb b%o-quinone (B)

+   \cyclohexaneh[df]{#2}%

+  \else\if\@tmpb c%o-quinone (C)

+   \cyclohexaneh[ae]{#2}%

+  \else\if\@tmpb d%o-quinone (D)

+   \cyclohexaneh[bf]{#2}%

+  \else\if\@tmpb e%o-quinone (E)

+   \cyclohexaneh[ac]{#2}%

+  \else\if\@tmpb f%o-quinone (F)

+   \cyclohexaneh[bd]{#2}%

+  \fi\fi\fi\fi\fi\fi\fi%

+\else% added 1998/11/15 by S. Fujita

+   \cyclohexaneh[@#1]{#2}%

+\fi\fi\fi\fi\fi%

+%\end{picture}

+}%               %end of \bzdrh macro

+%    \end{macrocode}

+% \end{macro}

+%

+% \section{Decaline derivatives}

+% \subsection{Vertical type}

+%

+% The macro |\decalinev| is used for drawing decaline derivatives 

+% of vertical type.  The skeleton and endocyclic double bonds are

+% drawn directly, while substituents and exocyclic bonds are placed by 

+% useing the inner macro |\setdecaringv|. 

+% 

+% \begin{verbatim}

+% ************************

+% * decaline derivatives *

+% *  (vertical type)     *

+% ************************

+% The following numbering is adopted in this macro. 

+%

+%          8 (0G)1

+%          *  8a *

+%     7  *   * *   *  2

+%       |     |     |

+%       |     |     |

+%     6  *   * *   *  3

+%          *  4a *

+%          5 (0F)4

+%          ^

+%          |

+%          the original point

+% \end{verbatim}

+%

+% The macro |\decalinev| has an argument |SUBSLIST| as well as an optional 

+% argument |BONDLIST|.

+%

+% \begin{verbatim}

+%   \decalinev[BONDLIST]{SUBSLIST}

+% \end{verbatim}

+%

+% The |BONDLIST| argument contains one or more 

+% characters selected form a to k, each of which indicates 

+% the presence of an inner (endcyclic) double bond on the corresponding 

+% position. The character A or B indicates aromatic bond patterns (circles). 

+% \changes{v1.02}{1998/10/14}{BONDLIST: k and K at the fused bond}

+%

+% \begin{verbatim}

+%     BONDLIST = 

+%

+%           none       :  decaline

+%           a          :  1,2-double bond

+%           b          :  2,3-double bond

+%           c          :  3,4-double bond

+%           d          :  4,4a-double bond

+%           e          :  5,4a-double bond

+%           f          :  5,6-double bond

+%           g          :  6,7-double bond

+%           h          :  8,7-double bond

+%           i          :  8,8a-double bond

+%           j          :  1,8a-double bond

+%           k          :  4a,8a-double bond

+%           K          :  4a,8a-double bond in the other ring

+%           A          :  left aromatic circle 

+%           B          :  right aromatic circle 

+% \end{verbatim}

+%

+% The |SUBSLIST| argument contains one or more substitution descriptors 

+% which are separated from each other by a semicolon.  Each substitution 

+% descriptor has a locant number with a bond modifier and a substituent, 

+% where these are separated with a double equality symbol. 

+%

+% \begin{verbatim}

+%

+%     SUBSLIST: list of substituents

+%

+%       for n = 1 to 8 

+%

+%           nD         :  exocyclic double bond at n-atom

+%           n or nS    :  exocyclic single bond at n-atom

+%           nA         :  alpha single bond at n-atom

+%           nB         :  beta single bond at n-atom

+%           nSA        :  alpha single bond at n-atom (boldface)

+%           nSB        :  beta single bond at n-atom (dotted line)

+%           nSa        :  alpha (not specified) single bond at n-atom

+%           nSb        :  beta (not specified) single bond at n-atom

+%

+%

+%           nSd        :  alpha single bond at n-atom (dotted line) 

+%                           with an alternative direction to nSA 

+%           nSu        :  beta single bond at n-atom (boldface) 

+%                           with an alternative direction to nSB 

+%           nFA        :  alpha single bond at n-atom (dotted line) 

+%                           for ring fusion 

+%           nFB        :  beta single bond at n-atom (boldface) 

+%                           for ring fusion 

+%           nGA        :  alpha single bond at n-atom (dotted line) 

+%                           for the other ring fusion 

+%           nGB        :  beta single bond at n-atom (boldface) 

+%                           for the other ring fusion 

+%

+%        for 0 (fused positions)

+%

+%           0FA        :  alpha single bond at 8a 

+%           0FB        :  beta single bond at 8a

+%           0FU        :  unspecified single bond at 8a

+%           0GA        :  alpha single bond at 4a 

+%           0GB        :  beta single bond at 4a

+%           0GU        :  unspecified single bond at 4a

+% \end{verbatim}

+%

+% \begin{verbatim}

+%

+%       e.g. 

+%        

+%        \decalinev{1==Cl;2==F;0FA==;0GA==}

+%        \decalinev[c]{1==Cl;4==F;2==CH$_{3}$}

+%        \decalinev[eb]{1D==O;4SA==MeO;4SB==OMe;5W==Cl;6==Cl;7==Cl;8==Cl}

+%

+% \end{verbatim}

+%

+% The macro |\decalinev| has been changed into a subsidiary macro 

+% of |\decaheterov| (version 2.00). 

+%

+% \begin{macro}{\decalinev}

+%    \begin{macrocode}

+\def\decalinev{\@ifnextchar[{\@decalinev[@}{\@decalinev[@]}}

+\def\@decalinev[#1]#2{%

+\iforigpt \typeout{command `decalinev' is based on `decaheterov'.}\fi%

+\decaheterov[#1]{}{#2}}

+%    \end{macrocode}

+% \end{macro}

+% 

+% The following definition has been stopped using. 

+% \changes{v1.02}{1998/10/31}{Adding \cs{ylposition}, \cs{if@ylsw}

+% \cs{ylfusedposition}, 

+% \cs{yl@shiftii}, \cs{@ylii}, \cs{@@ylii}, \cs{yl@shifti}, \cs{@yli}, 

+% \cs{@yli}, \cs{yl@xdiff} and \cs{yl@ydiff}}

+% \changes{v2.00}{1998/12/5}{Add: fused rings}

+%

+% \begin{verbatim}

+% (Old definition)

+% % \begin{macro}{\decalinev}

+% %    \begin{macrocode}

+% \def\decalinev{\@ifnextchar[{\@decalinev[@}{\@decalinev[r]}}

+% \def\@decalinev[#1]#2{%

+% \iniflag\iniatom

+% \@reset@ylsw\reset@@yl

+% \ylposition{#2}{-7}{0}{2}{0}% for 8

+% \if@ylsw \ifx\@@ylii\empty

+% \def\@@ylii{0}\def\@@yli{0}\fi

+% \else\ylposition{#2}{-1}{3}{7}{0}% for 5 to 7

+% \fi

+% \if@ylsw\ifx\@@ylii\empty

+% \def\@@ylii{0}\def\@@yli{0}\fi\else

+% \ylposition{#2}{0}{0}{5}{0}% for 1 to 4

+% \fi

+% \if@ylsw\ifx\@@ylii\empty

+% \def\@@ylii{-342}\def\@@yli{0}\fi\else

+% \ylfusedposition{#2}{0}{-1}{1}{0}% for 4a and 8a

+% \fi

+% \if@ylsw\ifx\@@ylii\empty

+% \def\@@ylii{0}\def\@@yli{0}\fi\fi

+% \if@ylsw

+%  \yl@shiftii=\@ylii 

+%  \ifx\@@ylii\empty\else

+%  \advance\yl@shiftii\@@ylii\fi

+%  \yl@shifti=\@yli 

+%  \ifx\@@yli\empty\else

+%  \advance\yl@shifti\@@yli\fi

+%  \advance\yl@shiftii\yl@xdiff

+%  \advance\yl@shifti\yl@ydiff

+%  \begin{picture}(0,0)(-\yl@shiftii,-\yl@shifti)

+%  \reset@yl@xydiff%1999/1/6 by S. Fujita

+% \else

+%  \begin{picture}(1200,880)(-\shiftii,-\shifti)

+%   \iforigpt \put(-\shiftii,-\shifti){\circle*{50}}%

+%            \put(-\noshift,-\noshift){\circle{50}}% 

+%    \typeout{command `decalinev' origin: %

+%     (\the\noshift,\the\noshift) ---> (\the\shiftii,\the\shifti)}\fi%

+% \fi

+%   \put(0,406){\line(-5,-3){171}}%       %bond 8-7     1-6

+%   \put(0,406){\line(5,-3){171}}%        %bond 8-8a    1-2

+%   \put(0,0){\line(-5,3){171}}%          %bond 5-6     4-5

+%   \put(0,0){\line(5,3){171}}%           %bond 5-4a    4-3

+%   \put(171,103){\line(0,1){200}}%       %bond 4a-8a   3-2

+%   \put(-171,103){\line(0,1){200}}%      %bond 5-7     5-6

+%   \put(342,406){\line(-5,-3){171}}%     %bond 1-8a    1-6

+%   \put(342,406){\line(5,-3){171}}%      %bond 1-2     1-2

+%   \put(342,0){\line(-5,3){171}}%        %bond 4-4a    4-5

+%   \put(342,0){\line(5,3){171}}%         %bond 4-3     4-3

+%   \put(513,103){\line(0,1){200}}%       %bond 3-2     3-2

+% \@tfor\member:=#1\do{%

+% \if\member r%no endcyclic double bonds

+% \else\if\member a%

+%   \put(348,364){\line(5,-3){126}}%      %double bond 1-2

+% \else\if\member b%

+%   \put(482,129){\line(0,1){148}}%       %double bond 3-2

+% \else\if\member c%

+%   \put(348,42){\line(5,3){126}}%        %double bond 4-3

+% \else\if\member d%

+%   \put(348,42){\line(-5,3){126}}%       %double bond 4-4a

+% \else\if\member e%

+%   \put(6,42){\line(5,3){126}}%          %double bond 5-4a

+% \else\if\member f%

+%   \put(-6,42){\line(-5,3){126}}%        %double bond 5-6

+% \else\if\member g%

+%   \put(-138,129){\line(0,1){148}}%      %double bond 6-7

+% \else\if\member h%

+%   \put(-6,364){\line(-5,-3){126}}%      %double bond 8-7

+% \else\if\member i%

+%   \put(6,364){\line(5,-3){126}}%        %double bond 8-8a   

+% \else\if\member j%

+%   \put(348,364){\line(-5,-3){126}}%     %double bond 1-8a

+% \else\if\member k%

+%   \put(138,129){\line(0,1){148}}%       %double bond 4a-8a

+% \else\if\member K%

+%   \put(204,129){\line(0,1){148}}%       %double bond 4a-8a in the other ring

+% \else\if\member A%left aromatic circle 

+%   \put(0,203){\circle{240}}%            %circle

+% \else\if\member B%right aromatic circle 

+%   \put(342,203){\circle{240}}%          %circle

+% \else

+% % ***********************

+% % * setting fused rings *

+% % ***********************

+%    \expandafter\twoCH@R\member//%

+%    \set@fusion@decav

+% \fi\fi\fi\fi\fi\fi\fi\fi\fi\fi\fi\fi\fi\fi\fi}%

+% %    \end{macrocode}

+% %

+% % The command |\setdecaringv{#2}{0}{-1}{9}{0}| 

+% % has been stopped to use and replaced 

+% % by the following set of commands. 

+% %

+% %    \begin{macrocode}

+% \put(0,0){\setsixringv{#2}{-7}{0}{2}{0}}% for 8

+% \put(0,0){\setsixringv{#2}{-1}{3}{7}{0}}% for 5 to 7

+% \put(0,0){\setsixringv{#2}{-1}{3}{7}{0}}% for 5 to 7

+% \put(342,0){\setsixringv{#2}{0}{0}{5}{0}}% for 1 to 4

+% \put(0,0){\setfusedbond{#2}{0}{-1}{1}{0}}% for 4a and 8a

+% \end{picture}}%               %end of \decalinev macro

+% %    \end{macrocode}

+% % \end{macro}

+% \end{verbatim}

+%

+% \subsection{Vertical-bottom type}

+%

+% The macro |\decalinevb| is used for drawing decaline derivatives 

+% of vertical-bottom type (numbering from the bottom to the left-upper part). 

+% The word ``vertical'' means that each benzene ring is a vertical type.  

+% The word ``bottom'' means that the benzene ring with young locant numbers 

+% is located at the bottom. 

+% The skeleton and endocyclic double bonds are drawn directly, 

+% while substituents and exocyclic bonds are placed by useing 

+% the inner macro |\setsixringv|. 

+% \changes{v1.02}{1998/10/13}{Newly added command}

+% 

+% \begin{verbatim}

+% ***************************

+% * decaline derivatives    *

+% *  (vertical bottom type) *

+% ***************************

+% The following numbering is adopted in this macro. 

+%

+%          7 

+%          *  

+%     6  *   * 8

+%       |     |

+%       |     | 0G (4a)

+%     5  *   * *

+%  0F(4a)  *     * 1

+%          |     |

+%          |     |

+%        4  *   *  2

+%             *

+%             3

+%             ^

+%             |

+%            the original point

+% \end{verbatim}

+%

+% The macro |\decalinevb| has an argument |SUBSLIST| as well as an optional 

+% argument |BONDLIST|.

+%

+% \begin{verbatim}

+%   \decalinevb[BONDLIST]{SUBSLIST}

+% \end{verbatim}

+%

+% The |BONDLIST| argument contains one or more 

+% characters selected form a to k, each of which indicates 

+% the presence of an inner (endcyclic) double bond on the corresponding 

+% position. The character A or B indicates aromatic bond patterns (circles). 

+% \changes{v1.02}{1998/10/14}{BONDLIST: k and K at the fused bond}

+%

+% \begin{verbatim}

+%     BONDLIST = 

+%

+%           none       :  decaline

+%           a          :  1,2-double bond

+%           b          :  2,3-double bond

+%           c          :  3,4-double bond

+%           d          :  4,4a-double bond

+%           e          :  5,4a-double bond

+%           f          :  5,6-double bond

+%           g          :  6,7-double bond

+%           h          :  8,7-double bond

+%           i          :  8,8a-double bond

+%           j          :  1,8a-double bond

+%           k          :  4a,8a-double bond

+%           K          :  4a,8a-double bond in the other ring

+%           A          :  left aromatic circle 

+%           B          :  right aromatic circle 

+% \end{verbatim}

+%

+% The |SUBSLIST| argument contains one or more substitution descriptors 

+% which are separated from each other by a semicolon.  Each substitution 

+% descriptor has a locant number with a bond modifier and a substituent, 

+% where these are separated with a double equality symbol. 

+%

+% \begin{verbatim}

+%

+%     SUBSLIST: list of substituents

+%

+%       for n = 1 to 8 

+%

+%           nD         :  exocyclic double bond at n-atom

+%           n or nS    :  exocyclic single bond at n-atom

+%           nA         :  alpha single bond at n-atom

+%           nB         :  beta single bond at n-atom

+%           nSA        :  alpha single bond at n-atom (boldface)

+%           nSB        :  beta single bond at n-atom (dotted line)

+%           nSa        :  alpha (not specified) single bond at n-atom

+%           nSb        :  beta (not specified) single bond at n-atom

+%

+%           nSd        :  alpha single bond at n-atom (dotted line) 

+%                           with an alternative direction to nSA 

+%           nSu        :  beta single bond at n-atom (boldface) 

+%                           with an alternative direction to nSB 

+%           nFA        :  alpha single bond at n-atom (dotted line) 

+%                           for ring fusion 

+%           nFB        :  beta single bond at n-atom (boldface) 

+%                           for ring fusion 

+%           nGA        :  alpha single bond at n-atom (dotted line) 

+%                           for the other ring fusion 

+%           nGB        :  beta single bond at n-atom (boldface) 

+%                           for the other ring fusion 

+%

+%        for 0 (fused positions)

+%

+%           0FA        :  alpha single bond at 8a 

+%           0FB        :  beta single bond at 8a

+%           0FU        :  unspecified single bond at 8a

+%           0GA        :  alpha single bond at 4a 

+%           0GB        :  beta single bond at 4a

+%           0GU        :  unspecified single bond at 4a

+% \end{verbatim}

+%

+% \begin{verbatim}

+%

+%       e.g. 

+%        

+%        \decalinevb{1==Cl;2==F;0FA==;0GA==}

+%        \decalinevb[c]{1==Cl;4==F;2==CH$_{3}$}

+%        \decalinevb[eb]{1D==O;4SA==MeO;4SB==OMe;5W==Cl;6==Cl;7==Cl;8==Cl}

+%

+% \end{verbatim}

+%

+% The macro |\decalinevb| has been changed into a subsidiary macro 

+% of |\decaheterovb| (version 2.00). 

+%

+% \begin{macro}{\decalinevb}

+%    \begin{macrocode}

+\def\decalinevb{\@ifnextchar[{\@decalinevb[@}{\@decalinevb[@]}}

+\def\@decalinevb[#1]#2{%

+\iforigpt \typeout{command `decalinevb' is based on `decaheterovb'.}\fi%

+\decaheterovb[#1]{}{#2}}

+%    \end{macrocode}

+% \end{macro}

+%

+% The following old definition has been stopped using. 

+% \changes{v1.02}{1998/10/31}{Adding \cs{ylposition}, \cs{if@ylsw}

+% \cs{ylfusedposition}, 

+% \cs{yl@shiftii}, \cs{@ylii}, \cs{@@ylii}, \cs{yl@shifti}, \cs{@yli}, 

+% \cs{@yli}, \cs{yl@xdiff} and \cs{yl@ydiff}}

+% \changes{v2.00}{1998/12/25}{Add: Fused rings}

+%

+% \begin{verbatim}

+% (Old definition)

+% % \begin{macro}{\decalinevb}

+% %    \begin{macrocode}

+% \def\decalinevb{\@ifnextchar[{\@decalinevb[@}{\@decalinevb[r]}}

+% \def\@decalinevb[#1]#2{%

+% \iniflag\iniatom

+% \@reset@ylsw\reset@@yl

+% \ylposition{#2}{1}{1}{6}{0}% for 1 to 4

+% \if@ylsw \ifx\@@ylii\empty

+% \def\@@ylii{0}\def\@@yli{0}\fi

+% \else\ylposition{#2}{0}{4}{7}{0}% for 5 to 6

+% \fi

+% \if@ylsw\ifx\@@ylii\empty

+% \def\@@ylii{171}\def\@@yli{-303}\fi\else

+% \ylposition{#2}{-6}{0}{3}{0}% for 7 to 8

+% \fi

+% \if@ylsw\ifx\@@ylii\empty

+% \def\@@ylii{171}\def\@@yli{-303}\fi\else

+% \ylfusedposition{#2}{2}{1}{3}{-1}% for 4a and 8a

+% \fi

+% \if@ylsw\ifx\@@ylii\empty

+% \def\@@ylii{0}\def\@@yli{0}\fi\fi

+% \if@ylsw

+%  \yl@shiftii=\@ylii 

+%  \ifx\@@ylii\empty\else

+%  \advance\yl@shiftii\@@ylii\fi

+%  \yl@shifti=\@yli 

+%  \ifx\@@yli\empty\else

+%  \advance\yl@shifti\@@yli\fi

+%  \advance\yl@shiftii\yl@xdiff

+%  \advance\yl@shifti\yl@ydiff

+%  \begin{picture}(0,0)(-\yl@shiftii,-\yl@shifti)

+%  \reset@yl@xydiff%1999/1/6 by S. Fujita

+% \else

+%  \begin{picture}(1000,1200)(-550,-240)

+%   \iforigpt \put(-550,-240){\circle*{50}}%

+%            \put(0,0){\circle{50}}% 

+%    \typeout{command `decalinevb' origin: %

+%     (0,0) ---> (550,240)}\fi%

+% \fi

+%   \put(0,0){\line(5,3){171}}%           %bond 2-3

+%   \put(0,0){\line(-5,3){171}}%          %bond 4-3

+%   \put(171,103){\line(0,1){200}}%       %bond 2-1

+%   \put(-171,103){\line(0,1){200}}%      %bond 4-4a

+%   \put(0,406){\line(-5,-3){171}}%       %bond 8a-1

+%   \put(0,406){\line(5,-3){171}}%        %bond 8a-4a

+%   \put(0,406){\line(0,1){200}}%         %bond 8a-8

+%   \put(-342,406){\line(0,1){200}}%      %bond 5-6     3-2

+%   \put(-171,303){\line(-5,3){171}}%     %bond 4a-5

+%   \put(-171,709){\line(-5,-3){171}}%    %bond 7-6

+%   \put(-171,709){\line(5,-3){171}}%     %bond 7-8

+% \@tfor\member:=#1\do{%

+% \if\member r%no endcyclic double bonds

+% \else\if\member a%

+%   \put(140,129){\line(0,1){148}}%       %double bond 1-2

+% \else\if\member b%

+%   \put(6,42){\line(5,3){126}}%          %double bond 2-3

+% \else\if\member c%

+%   \put(-6,42){\line(-5,3){126}}%        %double bond 3-4

+% \else\if\member d%

+%   \put(-140,129){\line(0,1){148}}%      %double bond 4-4a

+% \else\if\member e%

+%   \put(-177,345){\line(-5,3){126}}%     %double bond 4a-5

+% \else\if\member f%

+%   \put(-311,432){\line(0,1){148}}%      %double bond 5-6

+% \else\if\member g%

+%   \put(-177,667){\line(-5,-3){126}}%    %double bond 7-6  

+% \else\if\member h%

+%   \put(-165,667){\line(5,-3){126}}%     %double bond 7-8 

+% \else\if\member i%

+%   \put(-31,432){\line(0,1){148}}%       %double bond 8a-8

+% \else\if\member j%

+%   \put(6,364){\line(5,-3){126}}%        %double bond 8a-1

+% \else\if\member k%

+%   \put(-6,364){\line(-5,-3){126}}%      %double bond 8a-4a

+% \else\if\member K%

+%   \put(-165,345){\line(5,3){126}}%     %double bond 8a-4a on the other ring

+% \else\if\member A%left aromatic circle 

+%   \put(-171,506){\circle{240}}%         %circle

+% \else\if\member B%right aromatic circle 

+%   \put(0,203){\circle{240}}%            %circle

+% \else

+% % ***********************

+% % * setting fused rings *

+% % ***********************

+%    \expandafter\twoCH@R\member//%

+%    \set@fusion@decavb

+% \fi\fi\fi\fi\fi\fi\fi\fi\fi\fi\fi\fi\fi\fi\fi}%

+% % ************************

+% % * setting substituents *

+% % ************************

+% \put(0,0){\setsixringv{#2}{1}{1}{6}{0}}% for 1 to 4

+% \put(-171,303){\setsixringv{#2}{0}{4}{7}{0}}% for 5 to 6

+% \put(-171,303){\setsixringv{#2}{-6}{0}{3}{0}}% for 7 to 8

+% \put(0,0){\setfusedbond{#2}{2}{1}{3}{-1}}% for 4a and 8a

+% \end{picture}}%               %end of \decalinevb macro

+% %    \end{macrocode}

+% % \end{macro}

+% \end{verbatim}

+%

+% \subsection{Vertical-top type}

+%

+% The macro |\decalinevt| is used for drawing decaline derivatives 

+% of vertical-bottom type (numbering from the top to the left-down part). 

+% The word ``vertical'' means that each benzene ring is a vertical type.  

+% The word ``top'' means that the benzene ring with young locant numbers 

+% is located at the top. 

+% The skeleton and endocyclic double bonds are drawn directly, 

+% while substituents and exocyclic bonds are placed by useing 

+% the inner macro |\setsixringv|. 

+% \changes{v1.02}{1998/10/13}{Newly added command}

+% 

+% \begin{verbatim}

+% ************************

+% * decaline derivatives *

+% *  (vertical-top type) *

+% ************************

+% The following numbering is adopted in this macro. 

+%

+%                     2

+%                     *  

+%                1  *   * 3

+%                  |     |

+%                  |     | 

+%         0G (8a)   *   * 4

+%             8   *   * 0F(4a)

+%                |     | 

+%                |     |

+%              7  *   *  5

+%                   *

+%                   6

+%                   ^

+%                   |

+%                   the original point

+% \end{verbatim}

+%

+% The macro |\decalinevt| has an argument |SUBSLIST| as well as an optional 

+% argument |BONDLIST|.

+%

+% \begin{verbatim}

+%   \decalinevt[BONDLIST]{SUBSLIST}

+% \end{verbatim}

+%

+% The |BONDLIST| argument contains one or more 

+% characters selected form a to k, each of which indicates 

+% the presence of an inner (endcyclic) double bond on the corresponding 

+% position. The character A or B indicates aromatic bond patterns (circles). 

+% \changes{v1.02}{1998/10/14}{BONDLIST: k and K at the fused bond}

+%

+% \begin{verbatim}

+%     BONDLIST = 

+%

+%           none       :  decaline

+%           a          :  1,2-double bond

+%           b          :  2,3-double bond

+%           c          :  3,4-double bond

+%           d          :  4,4a-double bond

+%           e          :  5,4a-double bond

+%           f          :  5,6-double bond

+%           g          :  6,7-double bond

+%           h          :  8,7-double bond

+%           i          :  8,8a-double bond

+%           j          :  1,8a-double bond

+%           k          :  4a,8a-double bond

+%           K          :  4a,8a-double bond in the other ring

+%           A          :  left aromatic circle 

+%           B          :  right aromatic circle 

+% \end{verbatim}

+%

+% The |SUBSLIST| argument contains one or more substitution descriptors 

+% which are separated from each other by a semicolon.  Each substitution 

+% descriptor has a locant number with a bond modifier and a substituent, 

+% where these are separated with a double equality symbol. 

+%

+% \begin{verbatim}

+%

+%     SUBSLIST: list of substituents

+%

+%       for n = 1 to 8 

+%

+%           nD         :  exocyclic double bond at n-atom

+%           n or nS    :  exocyclic single bond at n-atom

+%           nA         :  alpha single bond at n-atom

+%           nB         :  beta single bond at n-atom

+%           nSA        :  alpha single bond at n-atom (boldface)

+%           nSB        :  beta single bond at n-atom (dotted line)

+%           nSa        :  alpha (not specified) single bond at n-atom

+%           nSb        :  beta (not specified) single bond at n-atom

+%

+%           nSd        :  alpha single bond at n-atom (dotted line) 

+%                           with an alternative direction to nSA 

+%           nSu        :  beta single bond at n-atom (boldface) 

+%                           with an alternative direction to nSB 

+%           nFA        :  alpha single bond at n-atom (dotted line) 

+%                           for ring fusion 

+%           nFB        :  beta single bond at n-atom (boldface) 

+%                           for ring fusion 

+%           nGA        :  alpha single bond at n-atom (dotted line) 

+%                           for the other ring fusion 

+%           nGB        :  beta single bond at n-atom (boldface) 

+%                           for the other ring fusion 

+%

+%        for 0 (fused positions)

+%

+%           0FA        :  alpha single bond at 8a 

+%           0FB        :  beta single bond at 8a

+%           0FU        :  unspecified single bond at 8a

+%           0GA        :  alpha single bond at 4a 

+%           0GB        :  beta single bond at 4a

+%           0GU        :  unspecified single bond at 4a

+% \end{verbatim}

+%

+% \begin{verbatim}

+%

+%       e.g. 

+%        

+%        \decalinevt{1==Cl;2==F;0FA==;0GA==}

+%        \decalinevt[c]{1==Cl;4==F;2==CH$_{3}$}

+%        \decalinevt[eb]{1D==O;4SA==MeO;4SB==OMe;5W==Cl;6==Cl;7==Cl;8==Cl}

+%

+% \end{verbatim}

+%

+% The macro |\decalinevt| has been changed into a subsidiary macro 

+% of |\decaheterovt| (version 2.00). 

+%

+% \begin{macro}{\decalinevt}

+%    \begin{macrocode}

+\def\decalinevt{\@ifnextchar[{\@decalinevt[@}{\@decalinevt[@]}}

+\def\@decalinevt[#1]#2{%

+\iforigpt \typeout{command `decalinevt' is based on `decaheterovt'.}\fi%

+\decaheterovt[#1]{}{#2}}

+%    \end{macrocode}

+% \end{macro}

+%

+% The following old definition has been stopped using. 

+% \changes{v1.02}{1998/10/31}{Adding \cs{ylposition}, \cs{if@ylsw},

+% \cs{ylfusedposition}, 

+% \cs{yl@shiftii}, \cs{@ylii}, \cs{@@ylii}, \cs{yl@shifti}, \cs{@yli}, 

+% \cs{@yli}, \cs{yl@xdiff} and \cs{yl@ydiff}}

+% \changes{v2.00}{1998/12/5}{Add: fused rings}

+%

+% \begin{verbatim}

+% (Old definition)

+% % \begin{macro}{\decalinevt}

+% %    \begin{macrocode}

+% \def\decalinevt{\@ifnextchar[{\@decalinevt[@}{\@decalinevt[r]}}

+% \def\@decalinevt[#1]#2{%

+% \iniflag\iniatom

+% \@reset@ylsw\reset@@yl

+% \ylposition{#2}{5}{5}{7}{0}% for 1

+% \if@ylsw \ifx\@@ylii\empty

+% \def\@@ylii{-171}\def\@@yli{-303}\fi

+% \else\ylposition{#2}{-1}{0}{4}{0}% for 2 to 4

+% \fi

+% \if@ylsw\ifx\@@ylii\empty

+% \def\@@ylii{-171}\def\@@yli{-303}\fi\else

+% \ylposition{#2}{-2}{2}{7}{0}% for 5 to 8

+% \fi

+% \if@ylsw\ifx\@@ylii\empty

+% \def\@@ylii{0}\def\@@yli{0}\fi\else

+% \ylfusedposition{#2}{1}{0}{2}{-1}% for 4a and 8a

+% \fi

+% \if@ylsw\ifx\@@ylii\empty

+% \def\@@ylii{0}\def\@@yli{0}\fi\fi

+% \if@ylsw

+%  \yl@shiftii=\@ylii 

+%  \ifx\@@ylii\empty\else

+%  \advance\yl@shiftii\@@ylii\fi

+%  \yl@shifti=\@yli 

+%  \ifx\@@yli\empty\else

+%  \advance\yl@shifti\@@yli\fi

+%  \advance\yl@shiftii\yl@xdiff

+%  \advance\yl@shifti\yl@ydiff

+%  \begin{picture}(0,0)(-\yl@shiftii,-\yl@shifti)

+%  \reset@yl@xydiff%1999/1/6 by S. Fujita

+% \else

+%  \begin{picture}(1000,1200)(-400,-240)

+%   \iforigpt \put(-400,-240){\circle*{50}}%

+%            \put(0,0){\circle{50}}% 

+%    \typeout{command `decalinevb' origin: %

+%     (0,0) ---> (400,240)}\fi%

+% \fi

+%   \put(0,0){\line(5,3){171}}%           %bond 6-5

+%   \put(0,0){\line(-5,3){171}}%          %bond 6-7

+%   \put(171,103){\line(0,1){200}}%       %bond 5-4a

+%   \put(-171,103){\line(0,1){200}}%      %bond 7-8

+%   \put(0,406){\line(-5,-3){171}}%       %bond 8a-8

+%   \put(0,406){\line(5,-3){171}}%        %bond 8a-4a

+%   \put(0,406){\line(0,1){200}}%         %bond 8a-1

+%   \put(342,406){\line(0,1){200}}%       %bond 4-3

+%   \put(171,303){\line(5,3){171}}%       %bond 4a-4

+%   \put(171,709){\line(-5,-3){171}}%     %bond 2-1

+%   \put(171,709){\line(5,-3){171}}%      %bond 2-3

+% \@tfor\member:=#1\do{%

+% \if\member r%no endcyclic double bonds

+% \else\if\member a%

+%   \put(165,667){\line(-5,-3){126}}%    %double bond 2-1

+% \else\if\member b%

+%   \put(177,667){\line(5,-3){126}}%     %double bond 2-3

+% \else\if\member c%

+%   \put(311,432){\line(0,1){148}}%      %double bond 4-3

+% \else\if\member d%

+%   \put(177,345){\line(5,3){126}}%      %double bond 4a-4

+% \else\if\member e%

+%   \put(140,129){\line(0,1){148}}%      %double bond 5-4a

+% \else\if\member f%

+%   \put(6,42){\line(5,3){126}}%         %double bond 6-5

+% \else\if\member g%

+%   \put(-6,42){\line(-5,3){126}}%       %double bond 6-7

+% \else\if\member h%

+%   \put(-140,129){\line(0,1){148}}%     %double bond 7-8

+% \else\if\member i%

+%   \put(-6,364){\line(-5,-3){126}}%     %double bond 8a-8

+% \else\if\member j%

+%   \put(31,432){\line(0,1){148}}%       %double bond 8a-1

+% \else\if\member k%

+%   \put(6,364){\line(5,-3){126}}%       %double bond 8a-4a

+% \else\if\member K%

+%   \put(165,345){\line(-5,3){126}}%     %double bond 8a-4a on the other ring

+% \else\if\member A%left aromatic circle 

+%   \put(171,506){\circle{240}}%         %circle

+% \else\if\member B%right aromatic circle 

+%   \put(0,203){\circle{240}}%            %circle

+% \else 

+% % ***********************

+% % * setting fused rings *

+% % ***********************

+%   \expandafter\twoCH@R\member//%

+%    \set@fusion@decavt

+% \fi\fi\fi\fi\fi\fi\fi\fi\fi\fi\fi\fi\fi\fi\fi}%

+% % %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%

+% % % setting substituents and exocyclic bonds %

+% % %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%

+% \put(171,303){\setsixringv{#2}{5}{5}{7}{0}}% for 1

+% \put(171,303){\setsixringv{#2}{-1}{0}{4}{0}}% for 2 to 4

+% \put(0,0){\setsixringv{#2}{-2}{2}{7}{0}}% for 5 to 8

+% \put(0,0){\setfusedbond{#2}{1}{0}{2}{-1}}% for 4a and 8a

+% \end{picture}}%               %end of \decalinevt macro

+% %    \end{macrocode}

+% % \end{macro}

+% \end{verbatim}

+%

+% \subsection{Horizontal type}

+%

+% The macro |\decalineh| is used for drawing decaline derivatives 

+% of vertical type.  The skeleton and endocyclic double bonds are

+% drawn directly, while substituents and exocyclic bonds are placed by 

+% useing the inner macros |\setsixringh| and |\setfusedbond|. 

+% 

+% \begin{verbatim}

+% ************************

+% * decaline derivatives *

+% *  (horizontal type)   *

+% ************************

+% The following numbering is adopted in this macro. 

+%

+%                                2      3

+%                                 -----

+%                               *       *

+%                           1  *          * 4

+%                               *       *

+%                        8a (0G)  -----  4a (0F)

+%                               *       *

+%   the original point ===> 8 *           * 5

+%          (0,0)                *       *

+%                                 -----

+%                                7      6

+% \end{verbatim}

+%

+% The macro |\decalineh| has an argument |SUBSLIST| as well as an optional 

+% argument |BONDLIST|.

+%

+% \begin{verbatim}

+%   \decalineh[BONDLIST]{SUBSLIST}          

+% \end{verbatim}

+%

+% The |BONDLIST| argument contains one or more 

+% characters selected form a to k, each of which indicates 

+% the presence of an inner (endcyclic) double bond on the corresponding 

+% position. The character A or B indicates aromatic bond patterns (circles). 

+% \changes{v1.02}{1998/10/14}{BONDLIST: k and K at the fused bond}

+%

+% \begin{verbatim}

+%

+%     BONDLIST = 

+%

+%           none       :  decaline

+%           a          :  1,2-double bond

+%           b          :  2,3-double bond

+%           c          :  3,4-double bond

+%           d          :  4,4a-double bond

+%           e          :  5,4a-double bond

+%           f          :  5,6-double bond

+%           g          :  6,7-double bond

+%           h          :  8,7-double bond

+%           i          :  8,8a-double bond

+%           j          :  1,8a-double bond

+%           k          :  4a,8a-double bond

+%           K          :  4a,8a-double bond in the other ring

+%           A          :  left aromatic circle 

+%           B          :  right aromatic circle 

+% \end{verbatim}

+%

+% The |SUBSLIST| argument contains one or more substitution descriptors 

+% which are separated from each other by a semicolon.  Each substitution 

+% descriptor has a locant number with a bond modifier and a substituent, 

+% where these are separated with a double equality symbol. 

+%

+% \begin{verbatim}

+%

+%     SUBSLIST: list of substituents

+%

+%       for n = 1 to 8 

+%

+%           nD         :  exocyclic double bond at n-atom

+%           n or nS    :  exocyclic single bond at n-atom

+%           nA         :  alpha single bond at n-atom

+%           nB         :  beta single bond at n-atom

+%           nSA        :  alpha single bond at n-atom (boldface)

+%           nSB        :  beta single bond at n-atom (dotted line)

+%           nSa        :  alpha (not specified) single bond at n-atom

+%           nSb        :  beta (not specified) single bond at n-atom

+%

+%           nSd        :  alpha single bond at n-atom (dotted line) 

+%                           with an alternative direction to nSA 

+%           nSu        :  beta single bond at n-atom (boldface) 

+%                           with an alternative direction to nSB 

+%           nFA        :  alpha single bond at n-atom (dotted line) 

+%                           for ring fusion 

+%           nFB        :  beta single bond at n-atom (boldface) 

+%                           for ring fusion 

+%           nGA        :  alpha single bond at n-atom (dotted line) 

+%                           for the other ring fusion 

+%           nGB        :  beta single bond at n-atom (boldface) 

+%                           for the other ring fusion 

+%

+%        for 0 (fused positions)

+%

+%           0FA        :  alpha single bond at 8a 

+%           0FB        :  beta single bond at 8a

+%           0FU        :  unspecified single bond at 8a

+%           0GA        :  alpha single bond at 4a 

+%           0GB        :  beta single bond at 4a

+%           0GU        :  unspecified single bond at 4a

+% \end{verbatim}

+%

+% \begin{verbatim}

+%       e.g. 

+%        

+%        \decalineh{1==Cl;2==F;0FA==;0GA==}

+%        \decalineh[c]{1==Cl;4==F;2==CH$_{3}$}

+%        \decalineh[eb]{1D==O;4SA==MeO;4SB==OMe;5W==Cl;6==Cl;7==Cl;8==Cl}

+% \end{verbatim}

+%

+% The macro |\decalineh| has been changed into a subsidiary macro 

+% of |\decaheteroh| (version 2.00). 

+%

+% \begin{macro}{\decalineh}

+%    \begin{macrocode}

+\def\decalineh{\@ifnextchar[{\@decalineh[@}{\@decalineh[@]}}

+\def\@decalineh[#1]#2{%

+\iforigpt \typeout{command `decalineh' is based on `decaheteroh'.}\fi%

+\decaheteroh[#1]{}{#2}}

+%    \end{macrocode}

+% \end{macro}

+%

+% The following old definition has been stopped using. 

+% \changes{v1.02}{1998/10/31}{Adding \cs{ylpositionh}, \cs{if@ylsw}

+% \cs{ylfusedposition}, 

+% \cs{yl@shiftii}, \cs{@ylii}, \cs{@@ylii}, \cs{yl@shifti}, \cs{@yli}, 

+% \cs{@yli}, \cs{yl@xdiff} and \cs{yl@ydiff}}

+% \changes{v2.00}{1998/11/30}{Add: fused rings}

+%

+% \begin{verbatim}

+% (Old defintion)

+% % \begin{macro}{\decalineh}

+% %    \begin{macrocode}

+% \def\decalineh{\@ifnextchar[{\@decalineh[@}{\@decalineh[r]}}

+% \def\@decalineh[#1]#2{%

+% \iniflag\iniatom

+% \@reset@ylsw\reset@@yl

+% \ylpositionh{#2}{-7}{0}{2}{0}% for 8

+% \if@ylsw \ifx\@@ylii\empty

+% \def\@@ylii{0}\def\@@yli{0}\fi

+% \else\ylpositionh{#2}{-1}{3}{7}{0}% for 5 to 7

+% \fi

+% \if@ylsw\ifx\@@ylii\empty

+% \def\@@ylii{0}\def\@@yli{0}\fi\else

+% \ylpositionh{#2}{0}{0}{5}{0}% for 1 to 4

+% \fi

+% \if@ylsw\ifx\@@ylii\empty

+% \def\@@ylii{0}\def\@@yli{-342}\fi\else

+% \ylfusedposition{#2}{3}{2}{4}{0}% for 4a and 8a

+% \fi

+% \if@ylsw\ifx\@@ylii\empty

+% \def\@@ylii{0}\def\@@yli{0}\fi\fi

+% \if@ylsw

+%  \yl@shiftii=\@ylii 

+%  \ifx\@@ylii\empty\else

+%  \advance\yl@shiftii\@@ylii\fi

+%  \yl@shifti=\@yli 

+%  \ifx\@@yli\empty\else

+%  \advance\yl@shifti\@@yli\fi

+%  \advance\yl@shiftii\yl@xdiff

+%  \advance\yl@shifti\yl@ydiff

+%  \begin{picture}(0,0)(-\yl@shiftii,-\yl@shifti)

+%  \reset@yl@xydiff%1999/1/6 by S. Fujita

+% \else

+%  \begin{picture}(880,1200)(-\shifti,-\shiftii)

+%   \iforigpt \put(-\shifti,-\shiftii){\circle*{50}}%

+%            \put(\noshift,\noshift){\circle{50}}% 

+%    \typeout{command `decalineh' origin: %

+%     (\the\noshift,\the\noshift) ---> (\the\shifti,\the\shiftii)}\fi%

+% \fi

+%   \put(0,0){\line(3,5){103}}%            %bond 8-8a

+%   \put(0,0){\line(3,-5){103}}%          %bond 8-7

+%   \put(406,0){\line(-3,5){103}}%        %bond 4a-5

+%   \put(406,0){\line(-3,-5){103}}%       %bond 5-6

+%   \put(103,171){\line(1,0){200}}%       %bond 4a-8a

+%   \put(103,-171){\line(1,0){200}}%      %bond 7-8

+%   \put(0,342){\line(3,5){103}}%         %bond 1-2

+%   \put(0,342){\line(3,-5){103}}%        %bond 1-6

+%   \put(406,342){\line(-3,5){103}}%      %bond 4-3

+%   \put(406,342){\line(-3,-5){103}}%     %bond 4-4a

+%   \put(103,513){\line(1,0){200}}%       %bond 2-3

+% \@tfor\member:=#1\do{%

+% \if\member r%no endcyclic double bonds

+% \else\if\member a%

+%   \put(42,348){\line(3,5){78}}%         %double bond 1-2

+% \else\if\member b%

+%   \put(129,480){\line(1,0){148}}%       %double bond 2-3

+% \else\if\member c%

+%   \put(364,348){\line(-3,5){78}}%       %double bond 4-3

+% \else\if\member d%

+%   \put(364,348){\line(-3,-5){78}}%      %double bond 4-4a

+% \else\if\member e%

+%   \put(364,6){\line(-3,5){78}}%         %double bond 4a-5

+% \else\if\member f%

+%   \put(364,-6){\line(-3,-5){78}}%       %double bond 5-6

+% \else\if\member g%

+%   \put(129,-138){\line(1,0){148}}%      %double bond 6-7

+% \else\if\member h%

+%   \put(42,-6){\line(3,-5){78}}%         %double bond 7-8

+% \else\if\member i%

+%   \put(42,6){\line(3,5){78}}%           %double bond 8-9a

+% \else\if\member j%

+%   \put(42,348){\line(3,-5){78}}%        %double bond 1-8a

+% \else\if\member k%

+%   \put(129,138){\line(1,0){148}}%       %double bond 8a-4a

+% \else\if\member K%

+%   \put(129,204){\line(1,0){148}}%       %double bond 8a-4a

+% \else\if\member A%left aromatic circle 

+%   \put(203,0){\circle{240}}%            %circle

+% \else\if\member B%right aromatic circle 

+%   \put(203,342){\circle{240}}%          %circle

+% % ***********************

+% % * setting fused rings *

+% % ***********************

+% \else

+%    \expandafter\twoCH@R\member//%

+%    \put(0,342){\set@fusion@decah}%

+% \fi\fi\fi\fi\fi\fi\fi\fi\fi\fi\fi\fi\fi\fi\fi}%

+% %%

+% \put(0,0){\setsixringh{#2}{-7}{0}{2}{0}}% for 8

+% \put(0,0){\setsixringh{#2}{-1}{3}{7}{0}}% for 5 to 7

+% \put(0,342){\setsixringh{#2}{0}{0}{5}{0}}% for 1 to 4

+% \put(0,0){\setfusedbond{#2}{3}{2}{4}{0}}% for 4a and 8a

+% \end{picture}}%               %end of \decalineh macro

+% %    \end{macrocode}

+% % \end{macro}

+% \end{verbatim}

+%

+% \section{Naphthalene and naphtoquinone derivatives}

+% \subsection{Vertical type}

+%

+% The macro |\naphdrv| is used for drawing naphthalene derivatives 

+% of vertical type as well as naphthoquinone derivatives of 

+% vertical type. The skeleton and endocyclic double bonds are

+% drawn directly, while substituents and exocyclic bonds are placed by 

+% useing the inner macro |\decalinev|. 

+% 

+% The macro |\naphdrv| has an argument |SUBSLIST| as well as an optional 

+% argument |OPT|.  The latter designates a bond pattern in place of  

+% individual exocyclic bonds. 

+%

+% \begin{verbatim}

+% **********************************************

+% * naphthalene and naphthoquinone derivatives *

+% *  (vertical type)                           *

+% **********************************************

+%

+%   \naphdrv[OPT]{SUBSLIST}

+% \end{verbatim}

+%

+% The |OPT| argument contains one or two characters.  

+%

+% The character `A' is used for designating an aromatic bond pattern, in 

+% which each of the six-membered rings has a central circle. 

+%

+% \begin{verbatim}

+%     OPT (bond pattern)

+%

+%           none       :  naphthalene

+%           A          :  aromatic circle

+% \end{verbatim}

+%

+% One character `p' or two characters (p?) in the |OPT| argument 

+% designate a p-quinone nucleus, which is present in the 

+% right-hand ring for the case of `p' or `pa' and in the 

+% left-hand ring for the case of `pb'.  

+%

+% \begin{verbatim}

+%           p or pa    :  1,4-quinone (A) left aromatic, right quinone

+%           pb         :  1,4-quinone (B) right aromatic, left quinone

+% \end{verbatim}

+%

+% One character `o' or two characters (o?) in the |OPT| argument 

+% designate an o-quinone nucleus in either side of the fused ring. 

+% The second character of each argument indicates one of the possible 

+% type of bond patterns. 

+%

+% \begin{verbatim}

+%           o or oa    :  o-quinone (A)

+%           ob         :  o-quinone (B)

+%           oc         :  o-quinone (C)

+%           od         :  o-quinone (D)

+%           oe         :  o-quinone (E)

+%           of         :  o-quinone (F)

+% \end{verbatim}

+%

+% One character `q' or two characters (q?) in the |OPT| argument 

+% designate an 2,6-, 1,5- or 1,7-quinone nucleus. 

+% The second character of each argument indicates one of the possible 

+% type of bond patterns. 

+%

+% \begin{verbatim}

+%

+%           q or qa    :  2,6-quinone (A)

+%           qb         :  2,6-quinone (B)  3,7

+%           qc         :  1,5-quinone (C)

+%           qd         :  1,5-quinone (D)  4,8

+%           qe         :  1,7-quinone (E)

+%           qf         :  1,7-quinone (F)  2,8

+%           qg         :  1,7-quinone (G)  4,6

+%           qh         :  1,7-quinone (H)  3,5

+% \end{verbatim}

+%

+% One character `P' or two characters (P?) in the |OPT| argument 

+% designate a 1,4,5,8- or 1,2,5,8-quinone nucleus. 

+%

+% \begin{verbatim}

+%

+%           P or Pa    :  1,4,5,8-quinone (A)

+%           Pb         :  1,2,5,8-quinone (B)

+% \end{verbatim}

+%

+% One character `Q' or `O' or two characters (O?) in the |OPT| argument 

+% designate quinone nuclei of remaining types. 

+%

+% \begin{verbatim}

+%           Q          :  1,2,3,4-quinone

+%

+%           O or Oa    :  1,2,5,6-quinone (A)

+%           Ob         :  1,2,7,8-quinone (B)

+%           Oc         :  1,2,3,5-quinone (C)

+%           Od         :  1,2,3,7-quinone (D)

+% \end{verbatim}

+%

+% The |SUBSLIST| argument contains one or more substitution descriptors 

+% which are separated from each other by a semicolon.  Each substitution 

+% descriptor has a locant number with a bond modifier and a substituent, 

+% where these are separated with a double equality symbol. 

+%

+% \begin{verbatim}

+%

+%     SUBSLIST: list of substituents

+%

+%       for n = 1 to 8 

+%

+%           nD         :  exocyclic double bond at n-atom

+%           n or nS    :  exocyclic single bond at n-atom

+%           nA         :  alpha single bond at n-atom

+%           nB         :  beta single bond at n-atom

+%           nSA        :  alpha single bond at n-atom (boldface)

+%           nSB        :  beta single bond at n-atom (dotted line)

+%           nSa        :  alpha (not specified) single bond at n-atom

+%           nSb        :  beta (not specified) single bond at n-atom

+%

+%           nSd        :  alpha single bond at n-atom (dotted line) 

+%                           with an alternative direction to nSA 

+%           nSu        :  beta single bond at n-atom (boldface) 

+%                           with an alternative direction to nSB 

+%           nFA        :  alpha single bond at n-atom (dotted line) 

+%                           for ring fusion 

+%           nFB        :  beta single bond at n-atom (boldface) 

+%                           for ring fusion 

+%           nGA        :  alpha single bond at n-atom (dotted line) 

+%                           for the other ring fusion 

+%           nGB        :  beta single bond at n-atom (boldface) 

+%                           for the other ring fusion 

+% \end{verbatim}

+%

+% \begin{verbatim}

+%       e.g. 

+%        \naphdrv{1==Cl;2==F}

+%        \naphdrv[A]{1==Cl;4==F;2==CH$_{3}$}

+% \end{verbatim}

+%

+% \begin{macro}{\naphdrv}

+%    \begin{macrocode}

+\def\naphdrv{\@ifnextchar[{\@naphdrv}{\@naphdrv[r]}}

+\def\@naphdrv[#1]#2{%

+\iforigpt \typeout{command `naphdrv' is based on `decalinev'.}\fi%

+ \expandafter\threech@r#1{}{}%

+\if\@tmpa r% right-handed set of double bonds

+  \decalinev[acfhk]{#2}%

+\else\if\@tmpa A%aromatic circle

+  \decalinev[AB]{#2}%

+%

+\else\if\@tmpa p%p-quinone

+ \if\@tmpb a% (A)

+  \decalinev[bfhk]{#2}%

+ \else\ifx\@tmpb\empty% (A)

+  \decalinev[bfhk]{#2}%

+ \else\if\@tmpb b% (B)

+  \decalinev[acgk]{#2}%

+ \fi\fi\fi%

+\else%

+ \if\@tmpa o%o-quinone

+  \if\@tmpb a% (A)

+   \decalinev[cfhk]{#2}%

+  \else\ifx\@tmpb\empty% (A)

+   \decalinev[cfhk]{#2}%

+  \else\if\@tmpb b%o-quinone (B)

+   \decalinev[dfhj]{#2}%

+  \else\if\@tmpb c%o-quinone (C)

+   \decalinev[afhk]{#2}%

+  \else\if\@tmpb d%o-quinone (D)

+   \decalinev[achk]{#2}%

+  \else\if\@tmpb e%o-quinone (E)

+   \decalinev[acei]{#2}%

+  \else\if\@tmpb f%o-quinone (F)

+   \decalinev[acfk]{#2}%

+  \fi\fi\fi\fi\fi\fi%

+  \fi%

+%%%

+\else\if\@tmpa q%various quinone

+  \if\@tmpb a% (A)2,6-type

+   \decalinev[cehj]{#2}%

+  \else\ifx\@tmpb\empty% (A)2,6-type

+   \decalinev[cehj]{#2}%

+  \else\if\@tmpb b%2,6-quinone (B)

+   \decalinev[adfi]{#2}%

+  \else\if\@tmpb c%1,5-quinone (C)

+   \decalinev[bdgi]{#2}%

+  \else\if\@tmpb d%1,5-quinone (D)

+   \decalinev[begj]{#2}%

+  \else\if\@tmpb e%1,7-quinone (E)

+   \decalinev[bdfi]{#2}%

+  \else\if\@tmpb f%1,7-quinone (F)

+   \decalinev[cegj]{#2}%

+  \else\if\@tmpb g%1,7-quinone (G)

+   \decalinev[behj]{#2}%

+  \else\if\@tmpb h%1,7-quinone (H)

+   \decalinev[adgi]{#2}%

+  \fi\fi\fi\fi\fi\fi\fi\fi\fi%

+\else\if\@tmpa P%quinone having 4 carbonyl groups

+  \if\@tmpb a% (A)1,4,5,8-type

+   \decalinev[bgk]{#2}%

+  \else\ifx\@tmpb\empty% (A)1,4,5,8-type

+   \decalinev[bgk]{#2}%

+  \else\if\@tmpb b% (B)1,2,5,8-type

+   \decalinev[cgk]{#2}%

+  \fi\fi\fi%

+\else\if\@tmpa Q%1,2,3,4

+   \decalinev[fhk]{#2}%

+\else\if\@tmpa O%quinone having 4 carbonyl groups

+  \if\@tmpb a% (A)1,2,5,6-type

+   \decalinev[chk]{#2}%

+  \else\ifx\@tmpb\empty% (A)1,2,5,6-type

+   \decalinev[chk]{#2}%

+  \else\if\@tmpb b% (B)1,2,7,8-type

+   \decalinev[cfk]{#2}%

+  \else\if\@tmpb c% (C)1,2,3,5-type

+   \decalinev[dgi]{#2}%

+  \else\if\@tmpb d% (D)1,2,3,7-type

+   \decalinev[dfi]{#2}%

+  \fi\fi\fi\fi\fi%

+\else% added 1998/11/23 by S. Fujita

+   \decalinev[@#1]{#2}%

+\fi\fi\fi\fi\fi\fi\fi\fi%

+}%               %end of \naphdrv macro

+%    \end{macrocode}

+% \end{macro}

+%

+% \subsection{Vertical-bottom type}

+%

+% The macro |\naphdrvb| is used for drawing naphthalene derivatives 

+% of vertical-bottom type as well as naphthoquinone derivatives of 

+% vertical-bottom type. The skeleton and endocyclic double bonds are

+% drawn directly, while substituents and exocyclic bonds are placed by 

+% useing the inner macro |\decalinevb|. 

+% \changes{v1.02}{1998/10/14}{Newly added command}

+% 

+% The macro |\naphdrvb| has an argument |SUBSLIST| as well as an optional 

+% argument |OPT|.  The latter designates a bond pattern in place of  

+% individual exocyclic bonds. 

+%

+% \begin{verbatim}

+% **********************************************

+% * naphthalene and naphthoquinone derivatives *

+% *  (vertical-bottom type)                    *

+% **********************************************

+%

+%   \naphdrvb[OPT]{SUBSLIST}

+% \end{verbatim}

+%

+% The |OPT| argument contains one or two characters.  

+%

+% The character `A' is used for designating an aromatic bond pattern, in 

+% which each of the six-membered rings has a central circle. 

+%

+% \begin{verbatim}

+%     OPT (bond pattern)

+%

+%           none       :  naphthalene

+%           A          :  aromatic circle

+% \end{verbatim}

+%

+% One character `p' or two characters (p?) in the |OPT| argument 

+% designate a p-quinone nucleus, which is present in the 

+% right-hand ring for the case of `p' or `pa' and in the 

+% left-hand ring for the case of `pb'.  

+%

+% \begin{verbatim}

+%           p or pa    :  1,4-quinone (A) left aromatic, right quinone

+%           pb         :  1,4-quinone (B) right aromatic, left quinone

+% \end{verbatim}

+%

+% One character `o' or two characters (o?) in the |OPT| argument 

+% designate an o-quinone nucleus in either side of the fused ring. 

+% The second character of each argument indicates one of the possible 

+% type of bond patterns. 

+%

+% \begin{verbatim}

+%           o or oa    :  o-quinone (A)

+%           ob         :  o-quinone (B)

+%           oc         :  o-quinone (C)

+%           od         :  o-quinone (D)

+%           oe         :  o-quinone (E)

+%           of         :  o-quinone (F)

+% \end{verbatim}

+%

+% One character `q' or two characters (q?) in the |OPT| argument 

+% designate an 2,6-, 1,5- or 1,7-quinone nucleus. 

+% The second character of each argument indicates one of the possible 

+% type of bond patterns. 

+%

+% \begin{verbatim}

+%

+%           q or qa    :  2,6-quinone (A)

+%           qb         :  2,6-quinone (B)  3,7

+%           qc         :  1,5-quinone (C)

+%           qd         :  1,5-quinone (D)  4,8

+%           qe         :  1,7-quinone (E)

+%           qf         :  1,7-quinone (F)  2,8

+%           qg         :  1,7-quinone (G)  4,6

+%           qh         :  1,7-quinone (H)  3,5

+% \end{verbatim}

+%

+% One character `P' or two characters (P?) in the |OPT| argument 

+% designate a 1,4,5,8- or 1,2,5,8-quinone nucleus. 

+%

+% \begin{verbatim}

+%

+%           P or Pa    :  1,4,5,8-quinone (A)

+%           Pb         :  1,2,5,8-quinone (B)

+% \end{verbatim}

+%

+% One character `Q' or `O' or two characters (O?) in the |OPT| argument 

+% designate quinone nuclei of remaining types. 

+%

+% \begin{verbatim}

+%           Q          :  1,2,3,4-quinone

+%

+%           O or Oa    :  1,2,5,6-quinone (A)

+%           Ob         :  1,2,7,8-quinone (B)

+%           Oc         :  1,2,3,5-quinone (C)

+%           Od         :  1,2,3,7-quinone (D)

+% \end{verbatim}

+%

+% The |SUBSLIST| argument contains one or more substitution descriptors 

+% which are separated from each other by a semicolon.  Each substitution 

+% descriptor has a locant number with a bond modifier and a substituent, 

+% where these are separated with a double equality symbol. 

+%

+% \begin{verbatim}

+%

+%     SUBSLIST: list of substituents

+%

+%       for n = 1 to 8 

+%

+%           nD         :  exocyclic double bond at n-atom

+%           n or nS    :  exocyclic single bond at n-atom

+%           nA         :  alpha single bond at n-atom

+%           nB         :  beta single bond at n-atom

+%           nSA        :  alpha single bond at n-atom (boldface)

+%           nSB        :  beta single bond at n-atom (dotted line)

+%           nSa        :  alpha (not specified) single bond at n-atom

+%           nSb        :  beta (not specified) single bond at n-atom

+%

+%           nSd        :  alpha single bond at n-atom (dotted line) 

+%                           with an alternative direction to nSA 

+%           nSu        :  beta single bond at n-atom (boldface) 

+%                           with an alternative direction to nSB 

+%           nFA        :  alpha single bond at n-atom (dotted line) 

+%                           for ring fusion 

+%           nFB        :  beta single bond at n-atom (boldface) 

+%                           for ring fusion 

+%           nGA        :  alpha single bond at n-atom (dotted line) 

+%                           for the other ring fusion 

+%           nGB        :  beta single bond at n-atom (boldface) 

+%                           for the other ring fusion 

+% \end{verbatim}

+%

+% \begin{verbatim}

+%       e.g. 

+%        \naphdrvb{1==Cl;2==F}

+%        \naphdrvb[A]{1==Cl;4==F;2==CH$_{3}$}

+% \end{verbatim}

+%

+% \begin{macro}{\naphdrvb}

+%    \begin{macrocode}

+\def\naphdrvb{\@ifnextchar[{\@naphdrvb}{\@naphdrvb[r]}}

+\def\@naphdrvb[#1]#2{%

+\iforigpt \typeout{command `naphdrvb' is based on `decalinevb'.}\fi%

+ \expandafter\threech@r#1{}{}%

+\if\@tmpa r% right-handed set of double bonds

+  \decalinevb[acfhk]{#2}%

+\else\if\@tmpa A%aromatic circle

+  \decalinevb[AB]{#2}%

+%

+\else\if\@tmpa p%p-quinone

+ \if\@tmpb a% (A)

+  \decalinevb[bfhk]{#2}%

+ \else\ifx\@tmpb\empty% (A)

+  \decalinevb[bfhk]{#2}%

+ \else\if\@tmpb b% (B)

+  \decalinevb[acgk]{#2}%

+ \fi\fi\fi%

+\else%

+ \if\@tmpa o%o-quinone

+  \if\@tmpb a% (A)

+   \decalinevb[cfhk]{#2}%

+  \else\ifx\@tmpb\empty% (A)

+   \decalinevb[cfhk]{#2}%

+  \else\if\@tmpb b%o-quinone (B)

+   \decalinevb[dfhj]{#2}%

+  \else\if\@tmpb c%o-quinone (C)

+   \decalinevb[afhk]{#2}%

+  \else\if\@tmpb d%o-quinone (D)

+   \decalinevb[achk]{#2}%

+  \else\if\@tmpb e%o-quinone (E)

+   \decalinevb[acei]{#2}%

+  \else\if\@tmpb f%o-quinone (F)

+   \decalinevb[acfk]{#2}%

+  \fi\fi\fi\fi\fi\fi%

+  \fi%

+%%%

+\else\if\@tmpa q%various quinone

+  \if\@tmpb a% (A)2,6-type

+   \decalinevb[cehj]{#2}%

+  \else\ifx\@tmpb\empty% (A)2,6-type

+   \decalinevb[cehj]{#2}%

+  \else\if\@tmpb b%2,6-quinone (B)

+   \decalinevb[adfi]{#2}%

+  \else\if\@tmpb c%1,5-quinone (C)

+   \decalinevb[bdgi]{#2}%

+  \else\if\@tmpb d%1,5-quinone (D)

+   \decalinevb[begj]{#2}%

+  \else\if\@tmpb e%1,7-quinone (E)

+   \decalinevb[bdfi]{#2}%

+  \else\if\@tmpb f%1,7-quinone (F)

+   \decalinevb[cegj]{#2}%

+  \else\if\@tmpb g%1,7-quinone (G)

+   \decalinevb[behj]{#2}%

+  \else\if\@tmpb h%1,7-quinone (H)

+   \decalinevb[adgi]{#2}%

+  \fi\fi\fi\fi\fi\fi\fi\fi\fi%

+\else\if\@tmpa P%quinone having 4 carbonyl groups

+  \if\@tmpb a% (A)1,4,5,8-type

+   \decalinevb[bgk]{#2}%

+  \else\ifx\@tmpb\empty% (A)1,4,5,8-type

+   \decalinevb[bgk]{#2}%

+  \else\if\@tmpb b% (B)1,2,5,8-type

+   \decalinevb[cgk]{#2}%

+  \fi\fi\fi%

+\else\if\@tmpa Q%1,2,3,4

+   \decalinevb[fhk]{#2}%

+\else\if\@tmpa O%quinone having 4 carbonyl groups

+  \if\@tmpb a% (A)1,2,5,6-type

+   \decalinevb[chk]{#2}%

+  \else\ifx\@tmpb\empty% (A)1,2,5,6-type

+   \decalinevb[chk]{#2}%

+  \else\if\@tmpb b% (B)1,2,7,8-type

+   \decalinevb[cfk]{#2}%

+  \else\if\@tmpb c% (C)1,2,3,5-type

+   \decalinevb[dgi]{#2}%

+  \else\if\@tmpb d% (D)1,2,3,7-type

+   \decalinevb[dfi]{#2}%

+  \fi\fi\fi\fi\fi%

+\else% added 1998/11/23 by S. Fujita

+   \decalinevb[@#1]{#2}%

+\fi\fi\fi\fi\fi\fi\fi\fi%

+}%               %end of \naphdrvb macro

+%    \end{macrocode}

+% \end{macro}

+%

+% \subsection{Vertical-top type}

+%

+% The macro |\naphdrvt| is used for drawing naphthalene derivatives 

+% of vertical-top type as well as naphthoquinone derivatives of 

+% vertical-top type. The skeleton and endocyclic double bonds are

+% drawn directly, while substituents and exocyclic bonds are placed by 

+% useing the inner macro |\decalinevt|. 

+% \changes{v1.02}{1998/10/14}{Newly added command}

+% 

+% The macro |\naphdrvt| has an argument |SUBSLIST| as well as an optional 

+% argument |OPT|.  The latter designates a bond pattern in place of  

+% individual exocyclic bonds. 

+%

+% \begin{verbatim}

+% **********************************************

+% * naphthalene and naphthoquinone derivatives *

+% *  (vertical-top type)                       *

+% **********************************************

+%

+%   \naphdrvt[OPT]{SUBSLIST}

+% \end{verbatim}

+%

+% The |OPT| argument contains one or two characters.  

+%

+% The character `A' is used for designating an aromatic bond pattern, in 

+% which each of the six-membered rings has a central circle. 

+%

+% \begin{verbatim}

+%     OPT (bond pattern)

+%

+%           none       :  naphthalene

+%           A          :  aromatic circle

+% \end{verbatim}

+%

+% One character `p' or two characters (p?) in the |OPT| argument 

+% designate a p-quinone nucleus, which is present in the 

+% right-hand ring for the case of `p' or `pa' and in the 

+% left-hand ring for the case of `pb'.  

+%

+% \begin{verbatim}

+%           p or pa    :  1,4-quinone (A) left aromatic, right quinone

+%           pb         :  1,4-quinone (B) right aromatic, left quinone

+% \end{verbatim}

+%

+% One character `o' or two characters (o?) in the |OPT| argument 

+% designate an o-quinone nucleus in either side of the fused ring. 

+% The second character of each argument indicates one of the possible 

+% type of bond patterns. 

+%

+% \begin{verbatim}

+%           o or oa    :  o-quinone (A)

+%           ob         :  o-quinone (B)

+%           oc         :  o-quinone (C)

+%           od         :  o-quinone (D)

+%           oe         :  o-quinone (E)

+%           of         :  o-quinone (F)

+% \end{verbatim}

+%

+% One character `q' or two characters (q?) in the |OPT| argument 

+% designate an 2,6-, 1,5- or 1,7-quinone nucleus. 

+% The second character of each argument indicates one of the possible 

+% type of bond patterns. 

+%

+% \begin{verbatim}

+%

+%           q or qa    :  2,6-quinone (A)

+%           qb         :  2,6-quinone (B)  3,7

+%           qc         :  1,5-quinone (C)

+%           qd         :  1,5-quinone (D)  4,8

+%           qe         :  1,7-quinone (E)

+%           qf         :  1,7-quinone (F)  2,8

+%           qg         :  1,7-quinone (G)  4,6

+%           qh         :  1,7-quinone (H)  3,5

+% \end{verbatim}

+%

+% One character `P' or two characters (P?) in the |OPT| argument 

+% designate a 1,4,5,8- or 1,2,5,8-quinone nucleus. 

+%

+% \begin{verbatim}

+%

+%           P or Pa    :  1,4,5,8-quinone (A)

+%           Pb         :  1,2,5,8-quinone (B)

+% \end{verbatim}

+%

+% One character `Q' or `O' or two characters (O?) in the |OPT| argument 

+% designate quinone nuclei of remaining types. 

+%

+% \begin{verbatim}

+%           Q          :  1,2,3,4-quinone

+%

+%           O or Oa    :  1,2,5,6-quinone (A)

+%           Ob         :  1,2,7,8-quinone (B)

+%           Oc         :  1,2,3,5-quinone (C)

+%           Od         :  1,2,3,7-quinone (D)

+% \end{verbatim}

+%

+% The |SUBSLIST| argument contains one or more substitution descriptors 

+% which are separated from each other by a semicolon.  Each substitution 

+% descriptor has a locant number with a bond modifier and a substituent, 

+% where these are separated with a double equality symbol. 

+%

+% \begin{verbatim}

+%

+%     SUBSLIST: list of substituents

+%

+%       for n = 1 to 8 

+%

+%           nD         :  exocyclic double bond at n-atom

+%           n or nS    :  exocyclic single bond at n-atom

+%           nA         :  alpha single bond at n-atom

+%           nB         :  beta single bond at n-atom

+%           nSA        :  alpha single bond at n-atom (boldface)

+%           nSB        :  beta single bond at n-atom (dotted line)

+%           nSa        :  alpha (not specified) single bond at n-atom

+%           nSb        :  beta (not specified) single bond at n-atom

+%

+%           nSd        :  alpha single bond at n-atom (dotted line) 

+%                           with an alternative direction to nSA 

+%           nSu        :  beta single bond at n-atom (boldface) 

+%                           with an alternative direction to nSB 

+%           nFA        :  alpha single bond at n-atom (dotted line) 

+%                           for ring fusion 

+%           nFB        :  beta single bond at n-atom (boldface) 

+%                           for ring fusion 

+%           nGA        :  alpha single bond at n-atom (dotted line) 

+%                           for the other ring fusion 

+%           nGB        :  beta single bond at n-atom (boldface) 

+%                           for the other ring fusion 

+% \end{verbatim}

+%

+% \begin{verbatim}

+%       e.g. 

+%        \naphdrvt{1==Cl;2==F}

+%        \naphdrvt[A]{1==Cl;4==F;2==CH$_{3}$}

+% \end{verbatim}

+%

+% \begin{macro}{\naphdrvt}

+%    \begin{macrocode}

+\def\naphdrvt{\@ifnextchar[{\@naphdrvt}{\@naphdrvt[r]}}

+\def\@naphdrvt[#1]#2{%

+\iforigpt \typeout{command `naphdrvt' is based on `decalinevt'.}\fi%

+ \expandafter\threech@r#1{}{}%

+\if\@tmpa r% right-handed set of double bonds

+  \decalinevt[acfhk]{#2}%

+\else\if\@tmpa A%aromatic circle

+  \decalinevt[AB]{#2}%

+%

+\else\if\@tmpa p%p-quinone

+ \if\@tmpb a% (A)

+  \decalinevt[bfhk]{#2}%

+ \else\ifx\@tmpb\empty% (A)

+  \decalinevt[bfhk]{#2}%

+ \else\if\@tmpb b% (B)

+  \decalinevt[acgk]{#2}%

+ \fi\fi\fi%

+\else%

+ \if\@tmpa o%o-quinone

+  \if\@tmpb a% (A)

+   \decalinevt[cfhk]{#2}%

+  \else\ifx\@tmpb\empty% (A)

+   \decalinevt[cfhk]{#2}%

+  \else\if\@tmpb b%o-quinone (B)

+   \decalinevt[dfhj]{#2}%

+  \else\if\@tmpb c%o-quinone (C)

+   \decalinevt[afhk]{#2}%

+  \else\if\@tmpb d%o-quinone (D)

+   \decalinevt[achk]{#2}%

+  \else\if\@tmpb e%o-quinone (E)

+   \decalinevt[acei]{#2}%

+  \else\if\@tmpb f%o-quinone (F)

+   \decalinevt[acfk]{#2}%

+  \fi\fi\fi\fi\fi\fi%

+  \fi%

+%%%

+\else\if\@tmpa q%various quinone

+  \if\@tmpb a% (A)2,6-type

+   \decalinevt[cehj]{#2}%

+  \else\ifx\@tmpb\empty% (A)2,6-type

+   \decalinevt[cehj]{#2}%

+  \else\if\@tmpb b%2,6-quinone (B)

+   \decalinevt[adfi]{#2}%

+  \else\if\@tmpb c%1,5-quinone (C)

+   \decalinevt[bdgi]{#2}%

+  \else\if\@tmpb d%1,5-quinone (D)

+   \decalinevt[begj]{#2}%

+  \else\if\@tmpb e%1,7-quinone (E)

+   \decalinevt[bdfi]{#2}%

+  \else\if\@tmpb f%1,7-quinone (F)

+   \decalinevt[cegj]{#2}%

+  \else\if\@tmpb g%1,7-quinone (G)

+   \decalinevt[behj]{#2}%

+  \else\if\@tmpb h%1,7-quinone (H)

+   \decalinevt[adgi]{#2}%

+  \fi\fi\fi\fi\fi\fi\fi\fi\fi%

+\else\if\@tmpa P%quinone having 4 carbonyl groups

+  \if\@tmpb a% (A)1,4,5,8-type

+   \decalinevt[bgk]{#2}%

+  \else\ifx\@tmpb\empty% (A)1,4,5,8-type

+   \decalinevt[bgk]{#2}%

+  \else\if\@tmpb b% (B)1,2,5,8-type

+   \decalinevt[cgk]{#2}%

+  \fi\fi\fi%

+\else\if\@tmpa Q%1,2,3,4

+   \decalinevt[fhk]{#2}%

+\else\if\@tmpa O%quinone having 4 carbonyl groups

+  \if\@tmpb a% (A)1,2,5,6-type

+   \decalinevt[chk]{#2}%

+  \else\ifx\@tmpb\empty% (A)1,2,5,6-type

+   \decalinevt[chk]{#2}%

+  \else\if\@tmpb b% (B)1,2,7,8-type

+   \decalinevt[cfk]{#2}%

+  \else\if\@tmpb c% (C)1,2,3,5-type

+   \decalinevt[dgi]{#2}%

+  \else\if\@tmpb d% (D)1,2,3,7-type

+   \decalinevt[dfi]{#2}%

+  \fi\fi\fi\fi\fi%

+\else% added 1998/11/23 by S. Fujita

+   \decalinevt[@#1]{#2}%

+\fi\fi\fi\fi\fi\fi\fi\fi%

+}%               %end of \naphdrvt macro

+%    \end{macrocode}

+% \end{macro}

+%

+% \subsection{Horizontal type}

+%

+% The macro |\naphdrh| is used for drawing naphthalene derivatives 

+% of horizontal type as well as naphtoquinone derivatives of 

+% horizontal type. The skeleton and endocyclic double bonds are

+% drawn directly, while substituents and exocyclic bonds are placed by 

+% useing the inner macro |\decalineh|. 

+% 

+% The macro |\naphdrh| has an argument |SUBSLIST| as well as an optional 

+% argument |OPT|.  The latter designates a bond pattern in place of  

+% individual exocyclic bonds. 

+%

+% \begin{verbatim}

+% **********************************************

+% * naphthalene and naphthoquinone derivatives *

+% *  (horizontal type)                         *

+% **********************************************

+%

+%   \naphdrh[OPT]{SUBSLIST}          

+%

+% \end{verbatim}

+%

+% The |OPT| argument contains one or two characters for designate

+% aromatic bond patterns or for naphthoquinone bond patterns. 

+% The meaning of these characters is the same as described in 

+% the definition of the macro |\naphdrv|. 

+%

+% \begin{verbatim}

+%     OPT (bond pattern)

+%

+%           none       :  naphthalene

+%           A          :  aromatic circle

+%

+%           p or pa    :  1,4-quinone (A) left aromatic, right quinone

+%           pb         :  1,4-quinone (B) right aromatic, left quinone

+%

+%           o or oa    :  o-quinone (A)

+%           ob         :  o-quinone (B)

+%           oc         :  o-quinone (C)

+%           od         :  o-quinone (D)

+%           oe         :  o-quinone (E)

+%           of         :  o-quinone (F)

+%

+%           q or qa    :  2,6-quinone (A)

+%           qb         :  2,6-quinone (B)  3,7

+%           qc         :  1,5-quinone (C)

+%           qd         :  1,5-quinone (D)  4,8

+%           qe         :  1,7-quinone (E)

+%           qf         :  1,7-quinone (F)  2,8

+%           qg         :  1,7-quinone (G)  4,6

+%           qh         :  1,7-quinone (H)  3,5

+%

+%           P or Pa    :  1,4,5,8-quinone (A)

+%           Pb         :  1,2,5,8-quinone (B)

+%

+%           Q          :  1,2,3,4-quinone

+%

+%           O or Oa    :  1,2,5,6-quinone (A)

+%           Ob         :  1,2,7,8-quinone (B)

+%           Oc         :  1,2,3,5-quinone (C)

+%           Od         :  1,2,3,7-quinone (D)

+% \end{verbatim}

+%

+% The |SUBSLIST| argument contains one or more substitution descriptors 

+% which are separated from each other by a semicolon.  Each substitution 

+% descriptor has a locant number with a bond modifier and a substituent, 

+% where these are separated with a double equality symbol. 

+%

+% \begin{verbatim}

+%

+%     SUBSLIST: list of substituents

+%

+%       for n = 1 to 8 

+%

+%           nD         :  exocyclic double bond at n-atom

+%           n or nS    :  exocyclic single bond at n-atom

+%           nA         :  alpha single bond at n-atom

+%           nB         :  beta single bond at n-atom

+%           nSA        :  alpha single bond at n-atom (boldface)

+%           nSB        :  beta single bond at n-atom (dotted line)

+%           nSa        :  alpha (not specified) single bond at n-atom

+%           nSb        :  beta (not specified) single bond at n-atom

+%

+%           nSd        :  alpha single bond at n-atom (dotted line) 

+%                           with an alternative direction to nSA 

+%           nSu        :  beta single bond at n-atom (boldface) 

+%                           with an alternative direction to nSB 

+%           nFA        :  alpha single bond at n-atom (dotted line) 

+%                           for ring fusion 

+%           nFB        :  beta single bond at n-atom (boldface) 

+%                           for ring fusion 

+%           nGA        :  alpha single bond at n-atom (dotted line) 

+%                           for the other ring fusion 

+%           nGB        :  beta single bond at n-atom (boldface) 

+%                           for the other ring fusion 

+%

+% \end{verbatim}

+%

+% \begin{verbatim}

+%       e.g. 

+%        \naphdrh{1==Cl;2==F}

+%        \naphdrh[A]{1==Cl;4==F;2==CH$_{3}$}

+% \end{verbatim}

+%

+% \begin{macro}{\naphdrh}

+%    \begin{macrocode}

+\def\naphdrh{\@ifnextchar[{\@naphdrh}{\@naphdrh[r]}}

+\def\@naphdrh[#1]#2{%

+\iforigpt \typeout{command `nathdrh' is based on `decalineh'.}\fi%

+ \expandafter\threech@r#1{}{}%

+\if\@tmpa r% right-handed set of double bonds

+  \decalineh[acfhk]{#2}%

+\else\if\@tmpa A%aromatic circle

+  \decalineh[AB]{#2}%

+%

+\else\if\@tmpa p%p-quinone

+ \if\@tmpb a% (A)

+  \decalineh[bfhk]{#2}%

+ \else\ifx\@tmpb\empty% (A)

+  \decalineh[bfhk]{#2}%

+ \else\if\@tmpb b% (B)

+  \decalineh[acgk]{#2}%

+ \fi\fi\fi%

+\else%

+ \if\@tmpa o%o-quinone

+  \if\@tmpb a% (A)

+   \decalineh[cfhk]{#2}%

+  \else\ifx\@tmpb\empty% (A)

+   \decalineh[cfhk]{#2}%

+  \else\if\@tmpb b%o-quinone (B)

+   \decalineh[dfhj]{#2}%

+  \else\if\@tmpb c%o-quinone (C)

+   \decalineh[afhk]{#2}%

+  \else\if\@tmpb d%o-quinone (D)

+   \decalineh[achk]{#2}%

+  \else\if\@tmpb e%o-quinone (E)

+   \decalineh[acei]{#2}%

+  \else\if\@tmpb f%o-quinone (F)

+   \decalineh[acfk]{#2}%

+  \fi\fi\fi\fi\fi\fi%

+  \fi%

+% %%

+\else\if\@tmpa q%various quinone

+  \if\@tmpb a% (A)2,6-type

+   \decalineh[cehj]{#2}%

+  \else\ifx\@tmpb\empty% (A)2,6-type

+   \decalineh[cehj]{#2}%

+  \else\if\@tmpb b%2,6-quinone (B)

+   \decalineh[adfi]{#2}%

+  \else\if\@tmpb c%1,5-quinone (C)

+   \decalineh[bdgi]{#2}%

+  \else\if\@tmpb d%1,5-quinone (D)

+   \decalineh[begj]{#2}%

+  \else\if\@tmpb e%1,7-quinone (E)

+   \decalineh[bdfi]{#2}%

+  \else\if\@tmpb f%1,7-quinone (F)

+   \decalineh[cegj]{#2}%

+  \else\if\@tmpb g%1,7-quinone (G)

+   \decalineh[behj]{#2}%

+  \else\if\@tmpb h%1,7-quinone (H)

+   \decalineh[adgi]{#2}%

+  \fi\fi\fi\fi\fi\fi\fi\fi\fi%

+\else\if\@tmpa P%quinone having 4 carbonyl groups

+  \if\@tmpb a% (A)1,4,5,8-type

+   \decalineh[bgk]{#2}%

+  \else\ifx\@tmpb\empty% (A)1,4,5,8-type

+   \decalineh[bgk]{#2}%

+  \else\if\@tmpb b% (B)1,2,5,8-type

+   \decalineh[cgk]{#2}%

+  \fi\fi\fi%

+\else\if\@tmpa Q%1,2,3,4

+   \decalineh[fhk]{#2}%

+\else\if\@tmpa O%quinone having 4 carbonyl groups

+  \if\@tmpb a% (A)1,2,5,6-type

+   \decalineh[chk]{#2}%

+  \else\ifx\@tmpb\empty% (A)1,2,5,6-type

+   \decalineh[chk]{#2}%

+  \else\if\@tmpb b% (B)1,2,7,8-type

+   \decalineh[cfk]{#2}%

+  \else\if\@tmpb c% (C)1,2,3,5-type

+   \decalineh[dgi]{#2}%

+  \else\if\@tmpb d% (D)1,2,3,7-type

+   \decalineh[dfi]{#2}%

+  \fi\fi\fi\fi\fi%

+\else% added 1998/11/23 by S. Fujita

+   \decalineh[@#1]{#2}%

+\fi\fi\fi\fi\fi\fi\fi\fi%

+}%               %end of \naphdrh macro

+%    \end{macrocode}

+% \end{macro}

+%

+% \section{Tetraline derivatives}

+% \subsection{Vertical type}

+%

+% The macro |\tetralinev| is used for drawing naphthalene derivatives 

+% of vertical type as well as naphthoquinone derivatives of 

+% vertical type. The skeleton and endocyclic double bonds are

+% drawn directly, while substituents and exocyclic bonds are placed by 

+% useing the inner macro |\decalinev|. 

+% 

+% The macro |\tetralinev| has an argument |SUBSLIST| as well as an optional 

+% argument |OPT|.  The latter designates a bond pattern in place of  

+% individual exocyclic bonds. 

+%

+% \begin{verbatim}

+% *************************

+% * tetraline derivatives *

+% *  (vertical type)      *

+% *************************

+%

+%   \tetralinev[OPT]{SUBSLIST}          

+% \end{verbatim}

+%

+% The |OPT| argument contains one or two characters for designate

+% aromatic bond patterns or for naphthoquinone bond patterns. 

+%

+% \begin{verbatim}

+%

+%     OPT = none       :  tetraline

+%           A          :  aromatic circle

+%

+%           e or ea    :  1,2-double bond

+%           eb         :  2,3-double bond

+%           ec         :  3,4-double bond

+% \end{verbatim}

+%

+% The |SUBSLIST| argument contains one or more substitution descriptors 

+% which are separated from each other by a semicolon.  Each substitution 

+% descriptor has a locant number with a bond modifier and a substituent, 

+% where these are separated with a double equality symbol. 

+%

+% \begin{verbatim}

+%

+%     SUBSLIST: list of substituents

+%

+%       for n = 1 to 4 

+%

+%           nD         :  exocyclic double bond at n-atom

+%           n or nS    :  exocyclic single bond at n-atom

+%           nA         :  alpha single bond at n-atom

+%           nB         :  beta single bond at n-atom

+%           nSA        :  alpha single bond at n-atom (boldface)

+%           nSB        :  beta single bond at n-atom (dotted line)

+%           nSa        :  alpha (not specified) single bond at n-atom

+%           nSb        :  beta (not specified) single bond at n-atom

+%

+%           nSd        :  alpha single bond at n-atom (dotted line) 

+%                           with an alternative direction to nSA 

+%           nSu        :  beta single bond at n-atom (boldface) 

+%                           with an alternative direction to nSB 

+%           nFA        :  alpha single bond at n-atom (dotted line) 

+%                           for ring fusion 

+%           nFB        :  beta single bond at n-atom (boldface) 

+%                           for ring fusion 

+%           nGA        :  alpha single bond at n-atom (dotted line) 

+%                           for the other ring fusion 

+%           nGB        :  beta single bond at n-atom (boldface) 

+%                           for the other ring fusion 

+%

+%        for n=5 or 8 

+%

+%           nSa        :  bias bond

+%                        This option can be used to avoid over-crowding 

+%                        betweem 1 and 8 or between 4 and 5. 

+% \end{verbatim}

+%

+% \begin{verbatim}

+%       e.g. 

+%        

+%        \tetralinev{1==Cl;2==F}

+%        \tetralinev[A]{1==Cl;4==F;2==CH$_{3}$}

+%        \tetralinev[eb]{1D==O;4SA==MeO;4SB==OMe;5W==Cl;6==Cl;7==Cl;8==Cl}

+% \end{verbatim}

+%

+% \begin{macro}{\tetralinev}

+%    \begin{macrocode}

+\def\tetralinev{\@ifnextchar[{\@tetralinev}{\@tetralinev[r]}}

+\def\@tetralinev[#1]#2{%

+ \iforigpt \typeout{command `tetralinev' is based on `decalinev'.}\fi%

+ \expandafter\threech@r#1{}{}%

+ \if\@tmpa r% right-handed set of double bonds

+    \decalinev[fhk]{#2}%

+ \else\if\@tmpa A%aromatic circle

+    \decalinev[A]{#2}%

+ \else\if\@tmpa e%inner double bond

+  \if\@tmpb a% (A)%

+    \decalinev[afhk]{#2}%

+  \else\ifx\@tmpb\empty% (A)

+    \decalinev[afhk]{#2}%

+  \else\if\@tmpb b% (B)

+    \decalinev[bfhk]{#2}%

+  \else\if\@tmpb c% (C)

+    \decalinev[cfhk]{#2}%

+  \fi\fi\fi\fi%

+ \else%1998/11/23 by Shinsaku Fujita

+    \decalinev[@#1]{#2}%

+ \fi\fi\fi%

+}%               %end of \tetralinev macro

+%    \end{macrocode}

+% \end{macro}

+%

+% \subsection{Vertical-bottom type}

+%

+% The macro |\tetralinevb| is used for drawing naphthalene derivatives 

+% of vertical-bottom type as well as naphthoquinone derivatives of 

+% vertical type. The skeleton and endocyclic double bonds are

+% drawn directly, while substituents and exocyclic bonds are placed by 

+% useing the inner macro |\decalinevb|. 

+% \changes{v1.02}{1998/10/14}{Newly added command}

+% 

+% The macro |\tetralinevb| has an argument |SUBSLIST| as well as an optional 

+% argument |OPT|.  The latter designates a bond pattern in place of  

+% individual exocyclic bonds. 

+%

+% \begin{verbatim}

+% ********************************

+% * tetraline derivatives        *

+% *  (vertical-bottom type)      *

+% ********************************

+%

+%   \tetralinevb[OPT]{SUBSLIST}          

+% \end{verbatim}

+%

+% The |OPT| argument contains one or two characters for designate

+% aromatic bond patterns or for naphthoquinone bond patterns. 

+%

+% \begin{verbatim}

+%

+%     OPT = none       :  tetraline

+%           A          :  aromatic circle

+%

+%           e or ea    :  1,2-double bond

+%           eb         :  2,3-double bond

+%           ec         :  3,4-double bond

+% \end{verbatim}

+%

+% The |SUBSLIST| argument contains one or more substitution descriptors 

+% which are separated from each other by a semicolon.  Each substitution 

+% descriptor has a locant number with a bond modifier and a substituent, 

+% where these are separated with a double equality symbol. 

+%

+% \begin{verbatim}

+%

+%     SUBSLIST: list of substituents

+%

+%       for n = 1 to 4 

+%

+%           nD         :  exocyclic double bond at n-atom

+%           n or nS    :  exocyclic single bond at n-atom

+%           nA         :  alpha single bond at n-atom

+%           nB         :  beta single bond at n-atom

+%           nSA        :  alpha single bond at n-atom (boldface)

+%           nSB        :  beta single bond at n-atom (dotted line)

+%           nSa        :  alpha (not specified) single bond at n-atom

+%           nSb        :  beta (not specified) single bond at n-atom

+%

+%           nSd        :  alpha single bond at n-atom (dotted line) 

+%                           with an alternative direction to nSA 

+%           nSu        :  beta single bond at n-atom (boldface) 

+%                           with an alternative direction to nSB 

+%           nFA        :  alpha single bond at n-atom (dotted line) 

+%                           for ring fusion 

+%           nFB        :  beta single bond at n-atom (boldface) 

+%                           for ring fusion 

+%           nGA        :  alpha single bond at n-atom (dotted line) 

+%                           for the other ring fusion 

+%           nGB        :  beta single bond at n-atom (boldface) 

+%                           for the other ring fusion 

+%

+%        for n=5 or 8 

+%

+%           nSa        :  bias bond

+%                        This option can be used to avoid over-crowding 

+%                        betweem 1 and 8 or between 4 and 5. 

+% \end{verbatim}

+%

+% \begin{verbatim}

+%       e.g. 

+%        

+%        \tetralinevb{1==Cl;2==F}

+%        \tetralinevb[A]{1==Cl;4==F;2==CH$_{3}$}

+%        \tetralinevb[eb]{1D==O;4SA==MeO;4SB==OMe;5W==Cl;6==Cl;7==Cl;8==Cl}

+% \end{verbatim}

+%

+% \begin{macro}{\tetralinevb}

+%    \begin{macrocode}

+\def\tetralinevb{\@ifnextchar[{\@tetralinevb}{\@tetralinevb[r]}}

+\def\@tetralinevb[#1]#2{%

+ \iforigpt \typeout{command `tetralinevb' is based on `decalinevb'.}\fi%

+ \expandafter\threech@r#1{}{}%

+ \if\@tmpa r% right-handed set of double bonds

+    \decalinevb[fhK]{#2}%  %[fhK] in place of [fhk]

+ \else\if\@tmpa A%aromatic circle

+    \decalinevb[A]{#2}%

+ \else\if\@tmpa e%inner double bond

+  \if\@tmpb a% (A)%

+    \decalinevb[afhK]{#2}%

+  \else\ifx\@tmpb\empty% (A)

+    \decalinevb[afhK]{#2}%

+  \else\if\@tmpb b% (B)

+    \decalinevb[bfhK]{#2}%

+  \else\if\@tmpb c% (C)

+    \decalinevb[cfhK]{#2}%

+  \fi\fi\fi\fi%

+ \else%1998/11/23 by Shinsaku Fujita

+    \decalinevb[@#1]{#2}%

+ \fi\fi\fi%

+}%               %end of \tetralinevb macro

+%    \end{macrocode}

+% \end{macro}

+%

+% \subsection{Vertical-top type}

+%

+% The macro |\tetralinevt| is used for drawing naphthalene derivatives 

+% of vertical-top type as well as naphthoquinone derivatives of 

+% vertical type. The skeleton and endocyclic double bonds are

+% drawn directly, while substituents and exocyclic bonds are placed by 

+% useing the inner macro |\decalinevt|. 

+% \changes{v1.02}{1998/10/14}{Newly added command}

+% 

+% The macro |\tetralinevt| has an argument |SUBSLIST| as well as an optional 

+% argument |OPT|.  The latter designates a bond pattern in place of  

+% individual exocyclic bonds. 

+%

+% \begin{verbatim}

+% ********************************

+% * tetraline derivatives        *

+% *  (vertical-bottom type)      *

+% ********************************

+%

+%   \tetralinevt[OPT]{SUBSLIST}          

+% \end{verbatim}

+%

+% The |OPT| argument contains one or two characters for designate

+% aromatic bond patterns or for naphthoquinone bond patterns. 

+%

+% \begin{verbatim}

+%

+%     OPT = none       :  tetraline

+%           A          :  aromatic circle

+%

+%           e or ea    :  1,2-double bond

+%           eb         :  2,3-double bond

+%           ec         :  3,4-double bond

+% \end{verbatim}

+%

+% The |SUBSLIST| argument contains one or more substitution descriptors 

+% which are separated from each other by a semicolon.  Each substitution 

+% descriptor has a locant number with a bond modifier and a substituent, 

+% where these are separated with a double equality symbol. 

+%

+% \begin{verbatim}

+%

+%     SUBSLIST: list of substituents

+%

+%       for n = 1 to 4 

+%

+%           nD         :  exocyclic double bond at n-atom

+%           n or nS    :  exocyclic single bond at n-atom

+%           nA         :  alpha single bond at n-atom

+%           nB         :  beta single bond at n-atom

+%           nSA        :  alpha single bond at n-atom (boldface)

+%           nSB        :  beta single bond at n-atom (dotted line)

+%           nSa        :  alpha (not specified) single bond at n-atom

+%           nSb        :  beta (not specified) single bond at n-atom

+%

+%           nSd        :  alpha single bond at n-atom (dotted line) 

+%                           with an alternative direction to nSA 

+%           nSu        :  beta single bond at n-atom (boldface) 

+%                           with an alternative direction to nSB 

+%           nFA        :  alpha single bond at n-atom (dotted line) 

+%                           for ring fusion 

+%           nFB        :  beta single bond at n-atom (boldface) 

+%                           for ring fusion 

+%           nGA        :  alpha single bond at n-atom (dotted line) 

+%                           for the other ring fusion 

+%           nGB        :  beta single bond at n-atom (boldface) 

+%                           for the other ring fusion 

+%

+%        for n=5 or 8 

+%

+%           nSa        :  bias bond

+%                        This option can be used to avoid over-crowding 

+%                        betweem 1 and 8 or between 4 and 5. 

+% \end{verbatim}

+%

+% \begin{verbatim}

+%       e.g. 

+%        

+%        \tetralinevt{1==Cl;2==F}

+%        \tetralinevt[A]{1==Cl;4==F;2==CH$_{3}$}

+%        \tetralinevt[eb]{1D==O;4SA==MeO;4SB==OMe;5W==Cl;6==Cl;7==Cl;8==Cl}

+% \end{verbatim}

+%

+% \begin{macro}{\tetralinevt}

+%    \begin{macrocode}

+\def\tetralinevt{\@ifnextchar[{\@tetralinevt}{\@tetralinevt[r]}}

+\def\@tetralinevt[#1]#2{%

+ \iforigpt \typeout{command `tetralinevt' is based on `decalinevt'.}\fi%

+ \expandafter\threech@r#1{}{}%

+ \if\@tmpa r% right-handed set of double bonds

+    \decalinevt[fhk]{#2}%

+ \else\if\@tmpa A%aromatic circle

+    \decalinevt[A]{#2}%

+ \else\if\@tmpa e%inner double bond

+  \if\@tmpb a% (A)%

+    \decalinevt[afhk]{#2}%

+  \else\ifx\@tmpb\empty% (A)

+    \decalinevt[afhk]{#2}%

+  \else\if\@tmpb b% (B)

+    \decalinevt[bfhk]{#2}%

+  \else\if\@tmpb c% (C)

+    \decalinevt[cfhk]{#2}%

+  \fi\fi\fi\fi%

+ \else%1998/11/23 by Shinsaku Fujita

+    \decalinevt[@#1]{#2}%

+ \fi\fi\fi%

+}%               %end of \tetralinevt macro

+%    \end{macrocode}

+% \end{macro}

+%

+% \subsection{Horizontal type}

+%

+% The macro |\tetralineh| is used for drawing tetraline derivatives 

+% of horizontal type. 

+% 

+% The macro |\tetralineh| has an argument |SUBSLIST| as well as an optional 

+% argument |OPT|.  The latter designates a bond pattern in place of  

+% individual exocyclic bonds. 

+%

+% \begin{verbatim}

+% *************************

+% * tetraline derivatives *

+% *  (horizontal type)    *

+% *************************

+%

+%   \tetralineh[OPT]{SUBSLIST}          

+% \end{verbatim}

+%

+% The |OPT| argument contains one or two characters for designate

+% aromatic bond patterns or for naphthoquinone bond patterns. 

+%

+% \begin{verbatim}

+%     OPT = none       :  tetraline

+%           A          :  aromatic circle

+%

+%           e or ea    :  1,2-double bond

+%           eb         :  2,3-double bond

+%           ec         :  3,4-double bond

+% \end{verbatim}

+%

+% The |SUBSLIST| argument contains one or more substitution descriptors 

+% which are separated from each other by a semicolon.  Each substitution 

+% descriptor has a locant number with a bond modifier and a substituent, 

+% where these are separated with a double equality symbol. 

+%

+% \begin{verbatim}

+%     SUBSLIST: list of substituents

+%

+%       for n = 1 to 4 

+%

+%           nD         :  exocyclic double bond at n-atom

+%           n or nS    :  exocyclic single bond at n-atom

+%           nA         :  alpha single bond at n-atom

+%           nB         :  beta single bond at n-atom

+%           nSA        :  alpha single bond at n-atom (boldface)

+%           nSB        :  beta single bond at n-atom (dotted line)

+%           nSa        :  alpha (not specified) single bond at n-atom

+%           nSb        :  beta (not specified) single bond at n-atom

+%

+%           nSd        :  alpha single bond at n-atom (dotted line) 

+%                           with an alternative direction to nSA 

+%           nSu        :  beta single bond at n-atom (boldface) 

+%                           with an alternative direction to nSB 

+%           nFA        :  alpha single bond at n-atom (dotted line) 

+%                           for ring fusion 

+%           nFB        :  beta single bond at n-atom (boldface) 

+%                           for ring fusion 

+%           nGA        :  alpha single bond at n-atom (dotted line) 

+%                           for the other ring fusion 

+%           nGB        :  beta single bond at n-atom (boldface) 

+%                           for the other ring fusion 

+%

+%        for n=5 or 8 

+%

+%           nSa        :  bias bond

+%                        This option can be used to avoid over-crowding 

+%                        betweem 1 and 8 or between 4 and 5. 

+% \end{verbatim}

+%

+% \begin{verbatim}

+%       e.g. 

+%        

+%        \tetralineh{1==Cl;2==F}

+%        \tetralineh[A]{1==Cl;4==F;2==CH$_{3}$}

+%        \tetralineh[eb]{1D==O;4SA==MeO;4SB==OMe;5W==Cl;6==Cl;7==Cl;8==Cl}

+% \end{verbatim}

+%

+% \begin{macro}{\tetralineh}

+%    \begin{macrocode}

+\def\tetralineh{\@ifnextchar[{\@tetralineh}{\@tetralineh[r]}}

+\def\@tetralineh[#1]#2{%

+ \iforigpt \typeout{command `tetralineh' is based on `decalineh'.}\fi%

+ \expandafter\threech@r#1{}{}%

+ \if\@tmpa r% right-handed set of double bonds

+    \decalineh[fhk]{#2}%

+ \else\if\@tmpa A%aromatic circle

+    \decalineh[A]{#2}%

+ \else\if\@tmpa e%inner double bond

+  \if\@tmpb a% (A)%

+    \decalineh[afhk]{#2}%

+  \else\ifx\@tmpb\empty% (A)

+    \decalineh[afhk]{#2}%

+  \else\if\@tmpb b% (B)

+    \decalineh[bfhk]{#2}%

+  \else\if\@tmpb c% (C)

+    \decalineh[cfhk]{#2}%

+  \fi\fi\fi\fi%

+\else% added 1998/11/23 by S. Fujita

+   \decalineh[@#1]{#2}%

+ \fi\fi\fi%

+}%               %end of \tetralineh macro

+%    \end{macrocode}

+% \end{macro}

+%

+% \section{Anthracene derivatives}

+% \subsection{Perhydro-anthracene derivatives of Vertical type}

+%

+% The macro |\hanthracenev| is used for drawing perhydroanthracene 

+% derivatives of vertical type. 

+% 

+% The macro |\hanthracenev| has an argument |SUBSLIST| as well as an optional 

+% argument |BONDLIST|.  

+%

+% \begin{verbatim}

+% ***********************************

+% * perhydro anthracene derivatives *

+% *  (vertical type)                *

+% ***********************************

+%

+%   \hanthracenev[BONDLIST]{SUBSLIST}          

+% \end{verbatim}

+%

+% The |BONDLIST| argument contains one or more 

+% characters selected form a to p, each of which indicates 

+% the presence of an inner (endcyclic) double bond on the corresponding 

+% position. The character A, B, or C indicates an aromatic bond 

+% pattern (circle). 

+% \changes{v1.02}{1998/10/14}{BONDLIST: o, O, p and P at the fused bond}

+%

+% \begin{verbatim}

+%     BONDLIST = 

+%

+%           none       :  hanthracene

+%           a          :  1,2-double bond

+%           b          :  2,3-double bond

+%           c          :  3,4-double bond

+%           d          :  4,4a-double bond

+%           e          :  10,4a-double bond

+%           f          :  10,10a-double bond

+%           g          :  5,10a-double bond

+%           h          :  5,6-double bond

+%           i          :  6,7-double bond

+%           j          :  8,7-double bond

+%           k          :  8,8a-double bond

+%           l          :  9,8a-double bond

+%           m          :  9,9a-double bond

+%           n          :  1,9a-double bond

+%           o          :  4a,9a-double bond

+%           O          :  4a,9a-double bond in the other ring

+%           p          :  10a,8a-double bond

+%           P          :  10a,8a-double bond in the other ring

+%           A          :  right aromatic circle 

+%           B          :  central aromatic circle 

+%           C          :  left aromatic circle 

+% \end{verbatim}

+%

+% The |SUBSLIST| argument contains one or more substitution descriptors 

+% which are separated from each other by a semicolon.  Each substitution 

+% descriptor has a locant number with a bond modifier and a substituent, 

+% where these are separated with a double equality symbol. 

+%

+% \begin{verbatim}

+%

+%     SUBSLIST: list of substituents

+%

+%       for n = 1 to 10

+%

+%           nD         :  exocyclic double bond at n-atom

+%           n or nS    :  exocyclic single bond at n-atom

+%           nA         :  alpha single bond at n-atom

+%           nB         :  beta single bond at n-atom

+%           nSA        :  alpha single bond at n-atom (boldface)

+%           nSB        :  beta single bond at n-atom (dotted line)

+%           nSa        :  alpha (not specified) single bond at n-atom

+%           nSb        :  beta (not specified) single bond at n-atom

+%

+%           nSd        :  alpha single bond at n-atom (dotted line) 

+%                           with an alternative direction to nSA 

+%           nSu        :  beta single bond at n-atom (boldface) 

+%                           with an alternative direction to nSB 

+%           nFA        :  alpha single bond at n-atom (dotted line) 

+%                           for ring fusion 

+%           nFB        :  beta single bond at n-atom (boldface) 

+%                           for ring fusion 

+%           nGA        :  alpha single bond at n-atom (dotted line) 

+%                           for the other ring fusion 

+%           nGB        :  beta single bond at n-atom (boldface) 

+%                           for the other ring fusion 

+% \end{verbatim}

+%

+% \begin{verbatim}

+%

+%        for 11 (fused positions, 9a and 4a) 

+%

+%           11FA       :  alpha single bond at 9a 

+%           11FB       :  beta single bond at 9a

+%           11FU       :  unspecified single bond at 9a

+%           11GA       :  alpha single bond at 4a 

+%           11GB       :  beta single bond at 4a

+%           11GU       :  unspecified single bond at 4a

+% \end{verbatim}

+%

+% \begin{verbatim}

+%

+%        for 12 (fused positions, 8a and 10a) 

+%

+%           12FA       :  alpha single bond at 8a 

+%           12FB       :  beta single bond at 8a

+%           12FU       :  unspecified single bond at 8a

+%           12GA       :  alpha single bond at 10a 

+%           12GB       :  beta single bond at 10a

+%           12GU       :  unspecified single bond at 10a

+% \end{verbatim}

+%

+% \begin{verbatim}

+%       e.g. 

+%        

+%        \hanthracenev{1==Cl;2==F;{{10}}==OH}

+%        \hanthracenev[c]{1==Cl;4==F;2==CH$_{3}$;

+%            {{11}FA}==OH;{{11}FB}==OH}

+%        \hanthracenev[eb]{1D==O;4SA==MeO;4SB==OMe;5W==Cl;6==Cl;7==Cl;8==Cl}

+% \end{verbatim}

+%

+% \changes{v1.02}{1998/10/31}{The command \cs{setdecaringv} has 

+% been stopped to use.}

+% \changes{v1.02}{1998/10/31}{Adding \cs{ylpositionh}, \cs{if@ylsw}

+% \cs{ylfusedposition}, 

+% \cs{yl@shiftii}, \cs{@ylii}, \cs{@@ylii}, \cs{yl@shifti}, \cs{@yli}, 

+% \cs{@yli}, \cs{yl@xdiff} and \cs{yl@ydiff}}

+% \changes{v2.00}{1998/12/25}{Added: fused rings}

+%

+% \begin{macro}{\hanthracenev}

+%    \begin{macrocode}

+\def\hanthracenev{\@ifnextchar[{\@hanthracenev[@}{\@hanthracenev[r]}}

+\def\@hanthracenev[#1]#2{%

+% bonds for outer skeleton

+\@reset@ylsw\reset@@yl

+\ylposition{#2}{-7}{0}{2}{0}%  %for 8 positions

+\if@ylsw \ifx\@@ylii\empty

+\def\@@ylii{0}\def\@@yli{0}\fi

+\else\ylposition{#2}{-1}{3}{7}{0}% for 5 to 7 positions

+\fi

+\if@ylsw\ifx\@@ylii\empty

+\def\@@ylii{0}\def\@@yli{0}\fi\else

+\ylposition{#2}{0}{0}{5}{0}% for 1 to 4 positions

+\fi

+\if@ylsw\ifx\@@ylii\empty

+\def\@@ylii{-684}\def\@@yli{0}\fi\else

+\ylposition{#2}{-8}{0}{2}{0}%for 9-position

+\fi

+\if@ylsw\ifx\@@ylii\empty

+\def\@@ylii{-342}\def\@@yli{0}\fi\else

+\ylposition{#2}{-6}{3}{5}{0}%for 10-position

+\fi

+\if@ylsw\ifx\@@ylii\empty

+\def\@@ylii{-342}\def\@@yli{0}\fi\else

+\ylfusedposition{#2}{-11}{-1}{1}{0}% for 9a and 4a

+\fi

+\if@ylsw\ifx\@@ylii\empty

+\def\@@ylii{-342}\def\@@yli{0}\fi\else

+\ylfusedposition{#2}{-12}{-1}{1}{0}% for 8a and 10a

+\fi

+\if@ylsw\ifx\@@ylii\empty

+\def\@@ylii{0}\def\@@yli{0}\fi\fi

+\if@ylsw

+ \yl@shiftii=\@ylii 

+ \ifx\@@ylii\empty\else

+ \advance\yl@shiftii\@@ylii\fi

+ \yl@shifti=\@yli 

+ \ifx\@@yli\empty\else

+ \advance\yl@shifti\@@yli\fi

+ \advance\yl@shiftii\yl@xdiff

+ \advance\yl@shifti\yl@ydiff

+ \begin{picture}(0,0)(-\yl@shiftii,-\yl@shifti)

+ \reset@yl@xydiff%1999/1/6 by S. Fujita

+\else

+ \begin{picture}(1200,880)(-\shiftii,-\shifti)

+  \iforigpt \put(-\shiftii,-\shifti){\circle*{50}}%

+           \put(-\noshift,-\noshift){\circle{50}}% 

+   \typeout{command `hanthracenev' origin: %

+    (\the\noshift,\the\noshift) ---> (\the\shiftii,\the\shifti)}\fi%

+\fi

+  \put(0,406){\line(-5,-3){171}}%       %bond 8-7

+  \put(0,406){\line(5,-3){171}}%        %bond 8-8a

+  \put(0,0){\line(-5,3){171}}%          %bond 5-6

+  \put(0,0){\line(5,3){171}}%           %bond 5-10a

+  \put(171,103){\line(0,1){200}}%       %bond 10a-8a

+  \put(-171,103){\line(0,1){200}}%      %bond 6-7

+  \put(342,406){\line(-5,-3){171}}%     %bond 9-8a

+  \put(342,406){\line(5,-3){171}}%      %bond 9-9a

+  \put(342,0){\line(-5,3){171}}%        %bond 10-10a

+  \put(342,0){\line(5,3){171}}%         %bond 10-4a

+  \put(513,103){\line(0,1){200}}%       %bond 4a-9a

+  %%%%

+  \put(684,406){\line(-5,-3){171}}%     %bond 1-9a    1-6

+  \put(684,406){\line(5,-3){171}}%      %bond 1-2     1-2

+  \put(855,103){\line(0,1){200}}%       %bond 3-2     3-2

+  \put(684,0){\line(5,3){171}}%         %bond 4-3     4-3

+  \put(684,0){\line(-5,3){171}}%        %bond 4-4a    4-5

+% inner double bonds

+\@tfor\member:=#1\do{%

+\if\member r%no endcyclic double bonds

+\else\if\member a%

+  \put(690,364){\line(5,-3){126}}%      %double bond 1-2

+\else\if\member b%

+  \put(822,129){\line(0,1){148}}%       %double bond 3-2

+\else\if\member c%

+  \put(690,42){\line(5,3){126}}%        %double bond 4-3

+\else\if\member d%

+  \put(690,42){\line(-5,3){126}}%       %double bond 4-4a

+\else\if\member e%

+  \put(348,42){\line(5,3){126}}%        %double bond 10-4a

+\else\if\member f%

+  \put(348,42){\line(-5,3){126}}%       %double bond 10-10a

+\else\if\member g%

+  \put(6,42){\line(5,3){126}}%          %double bond 5-10a

+\else\if\member h%

+  \put(-6,42){\line(-5,3){126}}%        %double bond 5-6

+\else\if\member i%

+  \put(-138,129){\line(0,1){148}}%      %double bond 6-7

+\else\if\member j%

+  \put(-6,364){\line(-5,-3){126}}%      %double bond 8-7

+\else\if\member k%

+  \put(6,364){\line(5,-3){126}}%        %double bond 8-8a   

+\else\if\member l%

+  \put(348,364){\line(-5,-3){126}}%     %double bond 9-8a

+\else\if\member m%

+  \put(348,364){\line(5,-3){126}}%      %double bond 9-9a

+\else\if\member n%

+  \put(690,364){\line(-5,-3){126}}%     %double bond 1-9a

+\else\if\member o%

+  \put(544,129){\line(0,1){148}}%       %double bond 4a-9a

+\else\if\member O%

+  \put(482,129){\line(0,1){148}}%       %double bond 4a-9a at the other ring

+\else\if\member p%

+  \put(138,129){\line(0,1){148}}%       %double bond 10a-8a

+\else\if\member P%

+  \put(204,129){\line(0,1){148}}%       %double bond 10a-8a at the other ring

+\else\if\member C%left aromatic circle 

+  \put(0,203){\circle{240}}            %circle

+\else\if\member B%right aromatic circle 

+  \put(342,203){\circle{240}}%          %circle

+\else\if\member A%right aromatic circle 

+  \put(684,203){\circle{240}}%          %circle

+\else

+%setting fused rings

+  \expandafter\twoCH@R\member//%

+  \set@fusion@hanthrav

+\fi\fi\fi\fi\fi\fi\fi\fi\fi\fi\fi\fi\fi\fi\fi\fi\fi\fi\fi\fi\fi\fi}

+%exocyclic bonds and substituents

+\put(0,0){\setsixringv{#2}{-7}{0}{2}{0}}%  %for 8 positions

+\put(0,0){\setsixringv{#2}{-1}{3}{7}{0}}%  %for 5 to 7 positions

+\put(684,0){\setsixringv{#2}{0}{0}{5}{0}}% %for 1 to 4 positions

+\put(342,0){\setsixringv{#2}{-8}{0}{2}{0}}%for 9-position

+\put(342,0){\setsixringv{#2}{-6}{3}{5}{0}}%for 10-position

+%bonds and substituents for fused positions

+\put(0,0){\setfusedbond{#2}{-12}{-1}{1}{0}}% for 8a and 10a

+\put(342,0){\setfusedbond{#2}{-11}{-1}{1}{0}}% for 9a and 4a

+\end{picture}}%               %end of \hanthracenev macro%

+%    \end{macrocode}

+% \end{macro}

+%

+% \subsection{Anthracene and anthraquinone derivatives}

+%

+% The macro |\anthracenev| is used for drawing anthracene derivatives 

+% of vertical type. 

+% 

+% The macro |\anthracenev| has an argument |SUBSLIST| as well as an optional 

+% argument |OPT|.  The latter designates a bond pattern in place of  

+% individual exocyclic bonds. 

+%

+% \begin{verbatim}

+% ********************************************

+% * anthracene and anthraquinone derivatives *

+% *  (vertical type)                         *

+% ********************************************

+%

+%   \anthracenev[OPT]{SUBSLIST}

+% \end{verbatim}

+%

+% The |OPT| argument contains one or two characters for designate

+% aromatic bond patterns or for naphthoquinone bond patterns. 

+%

+% \begin{verbatim}

+%     OPT (bond pattern) 

+%

+%           none or r  :  right-handed double bonds

+%           l          :  left-handed double bonds

+%           A          :  aromatic circle

+%

+%           p or pa    :  9,10-anthraquinone (A) 

+%           pA         :  9,10-anthraquinone (circle type)

+%

+%           o          :  1,2-anthraquinone (A)

+%           oa         :  1,2-anthraquinone (A')

+%           oA         :  1,2-anthraquinone (circle type)

+%           ob         :  2,3-antharquinone (B)

+%           oc         :  1,2-anthraquinone (C)

+%

+%           q          :  1,4-anthraquinone (A)

+%           qa         :  1,4-anthraquinone (A')

+%           qA         :  1,4-anthraquinone (circle type)

+% \end{verbatim}

+%

+% The |SUBSLIST| argument contains one or more substitution descriptors 

+% which are separated from each other by a semicolon.  Each substitution 

+% descriptor has a locant number with a bond modifier and a substituent, 

+% where these are separated with a double equality symbol. 

+%

+% \begin{verbatim}

+%     SUBSLIST: list of substituents

+%

+%       for n = 1 to 10

+%

+%           nD         :  exocyclic double bond at n-atom

+%           n or nS    :  exocyclic single bond at n-atom

+%           nA         :  alpha single bond at n-atom

+%           nB         :  beta single bond at n-atom

+%           nSA        :  alpha single bond at n-atom (boldface)

+%           nSB        :  beta single bond at n-atom (dotted line)

+%           nSa        :  alpha (not specified) single bond at n-atom

+%           nSb        :  beta (not specified) single bond at n-atom

+%

+%           nSd        :  alpha single bond at n-atom (dotted line) 

+%                           with an alternative direction to nSA 

+%           nSu        :  beta single bond at n-atom (boldface) 

+%                           with an alternative direction to nSB 

+%           nFA        :  alpha single bond at n-atom (dotted line) 

+%                           for ring fusion 

+%           nFB        :  beta single bond at n-atom (boldface) 

+%                           for ring fusion 

+%           nGA        :  alpha single bond at n-atom (dotted line) 

+%                           for the other ring fusion 

+%           nGB        :  beta single bond at n-atom (boldface) 

+%                           for the other ring fusion 

+% \end{verbatim}

+%

+% \begin{verbatim}

+%       e.g. 

+%        

+%        \anthracenev{1==Cl;2==F;0FA==;0GA==}

+%        \anthracenev[A]{1==Cl;4==F;2==CH$_{3}$}

+%        \anthracenev[eb]{1D==O;4SA==MeO;4SB==OMe;%

+%             5W==Cl;6==Cl;7==Cl;8==Cl}

+% \end{verbatim}

+%

+% \begin{macro}{\anthracenev}

+%    \begin{macrocode}

+\def\anthracenev{\@ifnextchar[{\@anthracenev}{\@anthracenev[r]}}

+\def\@anthracenev[#1]#2{%

+ \iforigpt \typeout{command `anthracenev' is %

+                    based on `hanthracenev'.}\fi%

+%% \expandafter\threech@r#1{}{}%error1998/11/23 by Shinsaku Fujita

+ \expandafter\twoCH@R#1//%

+ \if\@tmpa r% right-handed set of double bonds

+    \hanthracenev[acflhjo]{#2}%

+ \else\if\@tmpa l% left-handed set of double bonds

+    \hanthracenev[acehjmp]{#2}%

+ \else\if\@tmpa A%aromatic circle

+    \hanthracenev[ABC]{#2}%

+ \else\if\@tmpa p%9,10-quinone

+  \if\@tmpb a% (A)%

+    \hanthracenev[achjop]{#2}%

+   \else\ifx\@tmpb\empty% (A)

+    \hanthracenev[achjop]{#2}%

+   \else\if\@tmpb A% circle type

+    \hanthracenev[AC]{#2}%

+   \else 

+    \hanthracenev[achjop]{#2}%

+  \fi\fi\fi%

+ \else\if\@tmpa o%o-quinone

+  \if\@tmpb a% (A)%

+    \hanthracenev[cfjhlo]{#2}%

+   \else\ifx\@tmpb\empty% (A)

+    \hanthracenev[cehjmp]{#2}%

+   \else\if\@tmpb b% (B)

+    \hanthracenev[dfhjln]{#2}%

+   \else\if\@tmpb c% (C)

+    \hanthracenev[aehjmp]{#2}%

+   \else\if\@tmpb A% cicle type

+    \hanthracenev[cBC]{#2}%

+  \fi\fi\fi\fi\fi%

+ \else\if\@tmpa q%1,4-quinone

+  \if\@tmpb a% (A)%

+    \hanthracenev[bfhjlo]{#2}%

+   \else\ifx\@tmpb\empty% (A)

+    \hanthracenev[behjmp]{#2}%

+   \else\if\@tmpb A% circle type

+    \hanthracenev[AB]{#2}%

+   \else% 

+    \hanthracenev[behjmp]{#2}%

+  \fi\fi\fi%

+ \else

+    \hanthracenev[@#1]{#2}%

+ \fi\fi\fi\fi\fi\fi%

+}%               %end of \anthracenev macro%

+%    \end{macrocode}

+% \end{macro}

+%

+% \section{Phenanthrene derivatives}

+% \subsection{Perhydro-phenanthrene derivatives of Vertical type}

+%

+% The macro |\hphenanthrenev| is used for drawing perhydrophenanthrene 

+% derivatives of vertical type. 

+% 

+% The macro |\hphenanthrenev| has an argument |SUBSLIST| as well as an 

+% optional argument |BONDLIST|.  

+%

+% \begin{verbatim}

+% *************************************

+% * perhydro phenanthrene derivatives *

+% *  (vertical type)                  *

+% *************************************

+%

+%   \hphenanthrenev[BONDLIST]{SUBSLIST}          

+% \end{verbatim}

+%

+% The |BONDLIST| argument contains one or more 

+% characters selected form a to p, each of which indicates 

+% the presence of an inner (endcyclic) double bond on the corresponding 

+% position. The character A, B, or C indicates an aromatic bond 

+% pattern (circle). 

+% \changes{v1.02}{1998/10/14}{BONDLIST: o, O, p and P at the fused bond}

+%

+% \begin{verbatim}

+%

+%     BONDLIST = 

+%

+%           none       :  hphenanthrene

+%           a          :  1,2-double bond

+%           b          :  2,3-double bond

+%           c          :  3,4-double bond

+%           d          :  4,4a-double bond

+%           e          :  4a,4b-double bond

+%           f          :  4b,5-double bond

+%           g          :  5,6-double bond

+%           h          :  6,7-double bond

+%           i          :  7,8-double bond

+%           j          :  8,8a-double bond

+%           k          :  8a,9-double bond

+%           l          :  9,10-double bond

+%           m          :  10,10a-double bond

+%           n          :  1,10a-double bond

+%           o          :  4a,10a-double bond

+%           O          :  4a,10a-double bond in the other ring

+%           p          :  4b,8a-double bond

+%           P          :  4b,8a-double bond in the other ring

+%           A          :  right aromatic circle 

+%           B          :  central aromatic circle 

+%           C          :  left aromatic circle 

+% \end{verbatim}

+%

+% The |SUBSLIST| argument contains one or more substitution descriptors 

+% which are separated from each other by a semicolon.  Each substitution 

+% descriptor has a locant number with a bond modifier and a substituent, 

+% where these are separated with a double equality symbol. 

+%

+% \begin{verbatim}

+%     SUBSLIST: list of substituents

+%

+%       for n = 1 to 10

+%

+%           nD         :  exocyclic double bond at n-atom

+%           n or nS    :  exocyclic single bond at n-atom

+%           nA         :  alpha single bond at n-atom

+%           nB         :  beta single bond at n-atom

+%           nSA        :  alpha single bond at n-atom (boldface)

+%           nSB        :  beta single bond at n-atom (dotted line)

+%           nSa        :  alpha (not specified) single bond at n-atom

+%           nSb        :  beta (not specified) single bond at n-atom

+%

+%           nSd        :  alpha single bond at n-atom (dotted line) 

+%                           with an alternative direction to nSA 

+%           nSu        :  beta single bond at n-atom (boldface) 

+%                           with an alternative direction to nSB 

+%           nFA        :  alpha single bond at n-atom (dotted line) 

+%                           for ring fusion 

+%           nFB        :  beta single bond at n-atom (boldface) 

+%                           for ring fusion 

+%           nGA        :  alpha single bond at n-atom (dotted line) 

+%                           for the other ring fusion 

+%           nGB        :  beta single bond at n-atom (boldface) 

+%                           for the other ring fusion 

+%

+%        for 11 (fused positions, 4a and 10a) 

+%

+%           11FA       :  alpha single bond at 4a 

+%           11FB       :  beta single bond at 4a

+%           11FC       :  alpha single bond (downward) at 4a 

+%           11FD       :  beta single bond (downward) at 4a

+%           11FU       :  unspecified single bond at 4a

+%           11GA       :  alpha single bond at 10a 

+%           11GB       :  beta single bond at 10a

+%           11FC       :  alpha single bond (upward) at 10a

+%           11FD       :  beta single bond (upward) at 10a

+%           11GU       :  unspecified single bond at 10a

+%

+%        for 12 (fused positions, 4b and 8a) 

+%

+%           12FA       :  alpha single bond at 4b 

+%           12FB       :  beta single bond at 4b

+%           12FU       :  unspecified single bond at 4b

+%           12GA       :  alpha single bond at 8a 

+%           12GB       :  beta single bond at 8a

+%           12GU       :  unspecified single bond at 8a

+% \end{verbatim}

+%

+% \begin{verbatim}

+%       e.g. 

+%        

+%        \hphenanthrenev{1==Cl;2==F;{{10}}==OH}

+%        \hphenanthrenev[c]{1==Cl;4==F;2==CH$_{3}$;

+%            {{11}FA}==OH;{{11}FB}==OH}

+%        \hphenanthrenev[eb]{1D==O;4SA==MeO;4SB==OMe;

+%                   5W==Cl;6==Cl;7==Cl;8==Cl}

+% \end{verbatim}

+% \changes{v1.02}{1998/10/15}{The command \cs{setdecaringv} has 

+% been stopped to use.}

+% \changes{v1.02}{1998/10/31}{Adding \cs{ylpositionh}, \cs{if@ylsw}

+% \cs{ylfusedposition}, 

+% \cs{yl@shiftii}, \cs{@ylii}, \cs{@@ylii}, \cs{yl@shifti}, \cs{@yli}, 

+% \cs{@yli}, \cs{yl@xdiff} and \cs{yl@ydiff}}

+% \changes{v2.00}{1998/11/23}{Added: Fused rings}

+%

+% \begin{macro}{\hphenanthrenev}

+%    \begin{macrocode}

+\def\hphenanthrenev{%

+ \@ifnextchar[{\@hphenanthrenev[@}{\@hphenanthrenev[r]}}

+\def\@hphenanthrenev[#1]#2{%

+% bonds for outer skeleton

+\@reset@ylsw\reset@@yl

+\ylposition{#2}{-4}{0}{2}{0}%   %for 5 position

+\if@ylsw \ifx\@@ylii\empty

+\def\@@ylii{0}\def\@@yli{0}\fi

+\else

+\ylposition{#2}{12}{3}{7}{-1}%   %for 6 to 8 positions

+\fi

+\if@ylsw\ifx\@@ylii\empty

+\def\@@ylii{0}\def\@@yli{0}\fi\else

+\ylposition{#2}{13}{2}{5}{-1}%   %for 9 to 10 positions

+\fi

+\if@ylsw\ifx\@@ylii\empty

+\def\@@ylii{-342}\def\@@yli{0}\fi\else

+\ylposition{#2}{4}{0}{4}{-1}% %for 1 to 3 positions

+\fi

+\if@ylsw\ifx\@@ylii\empty

+\def\@@ylii{-513}\def\@@yli{-303}\fi\else

+\ylposition{#2}{2}{5}{7}{0}%  %for 4-position

+\fi

+\if@ylsw\ifx\@@ylii\empty

+\def\@@ylii{-513}\def\@@yli{-303}\fi\else

+\ylfusedposition{#2}{-12}{-1}{1}{0}%  % for 4b and 8a

+\fi

+\if@ylsw\ifx\@@ylii\empty

+\def\@@ylii{0}\def\@@yli{0}\fi\else

+\ylfusedposition{#2}{-10}{0}{2}{0}% % for 4a and 10a

+\fi

+\if@ylsw\ifx\@@ylii\empty

+\def\@@ylii{-342}\def\@@yli{0}\fi\fi

+\if@ylsw

+ \yl@shiftii=\@ylii 

+ \ifx\@@ylii\empty\else

+ \advance\yl@shiftii\@@ylii\fi

+ \yl@shifti=\@yli 

+ \ifx\@@yli\empty\else

+ \advance\yl@shifti\@@yli\fi

+ \advance\yl@shiftii\yl@xdiff

+ \advance\yl@shifti\yl@ydiff

+ \begin{picture}(0,0)(-\yl@shiftii,-\yl@shifti)

+ \reset@yl@xydiff%1999/1/6 by S. Fujita

+\else

+ \begin{picture}(1200,1200)(-\shiftii,-\shifti)

+  \iforigpt \put(-\shiftii,-\shifti){\circle*{50}}%

+           \put(-\noshift,-\noshift){\circle{50}}% 

+  \typeout{command `hphenanthrenev' origin: %

+  (\the\noshift,\the\noshift) ---> (\the\shiftii,\the\shifti)}\fi%

+\fi

+  \put(0,406){\line(-5,-3){171}}%       %bond 6-5

+  \put(0,406){\line(5,-3){171}}%        %bond 5-4a

+  \put(0,0){\line(-5,3){171}}%          %bond 8-7

+  \put(0,0){\line(5,3){171}}%            %bond 8-8a

+  \put(171,103){\line(0,1){200}}%       %bond 8a-4b

+  \put(-171,103){\line(0,1){200}}%      %bond 7-6

+  \put(342,406){\line(-5,-3){171}}%     %bond 4a-4b

+  \put(342,406){\line(5,-3){171}}%      %bond 4a-10a

+  \put(342,0){\line(-5,3){171}}%        %bond 9-8a

+  \put(342,0){\line(5,3){171}}%         %bond 9-10

+  \put(513,103){\line(0,1){200}}%       %bond 10-10a

+  %%%%

+  \put(342,406){\line(0,1){200}}%       %bond 4a-4

+  \put(513,709){\line(-5,-3){171}}%     %bond 3-4

+  \put(513,709){\line(5,-3){171}}%      %bond 3-2

+  \put(684,406){\line(0,1){200}}%       %bond 1-2

+  \put(513,303){\line(5,3){171}}%       %bond 10a-1

+% inner double bonds

+\@tfor\member:=#1\do{%

+\if\member r%no endcyclic double bonds

+\else\if\member a%

+  \put(651,432){\line(0,1){148}}%       %double bond 1-2

+\else\if\member b%

+  \put(519,667){\line(5,-3){126}}%      %double bond 3-2

+\else\if\member c%

+  \put(519,667){\line(-5,-3){126}}%     %double bond 3-4

+\else\if\member d%

+  \put(375,432){\line(0,1){148}}%       %double bond 4a-4

+\else\if\member e%

+  \put(348,364){\line(-5,-3){126}}%     %double bond 4a-4b

+\else\if\member f%

+  \put(6,364){\line(5,-3){126}}%        %double bond 5-4b

+\else\if\member g%

+  \put(-6,364){\line(-5,-3){126}}%      %double bond 5-6

+\else\if\member h%

+  \put(-138,129){\line(0,1){148}}%      %double bond 6-7

+\else\if\member i%

+  \put(-6,42){\line(-5,3){126}}%        %double bond 8-7

+\else\if\member j%

+  \put(6,42){\line(5,3){126}}%          %double bond 8-8a

+\else\if\member k%

+  \put(348,42){\line(-5,3){126}}%       %double bond 9-8a

+\else\if\member l%

+  \put(348,42){\line(5,3){126}}%        %double bond 9-10

+\else\if\member m%

+  \put(482,129){\line(0,1){148}}%       %double bond 10-10a

+\else\if\member n%

+  \put(519,345){\line(5,3){126}}%       %double bond 10a-1

+\else\if\member o%

+  \put(507,345){\line(-5,3){126}}%      %double bond 10a-4a

+\else\if\member O%

+  \put(348,364){\line(5,-3){126}}%     %double bond 4a-10a

+\else\if\member p%

+  \put(138,129){\line(0,1){148}}%       %double bond 8a-4b

+\else\if\member P%

+  \put(204,129){\line(0,1){148}}%       %double bond 8a-4b

+\else\if\member C%left aromatic circle 

+  \put(0,203){\circle{240}}            %circle

+\else\if\member B%right aromatic circle 

+  \put(342,203){\circle{240}}%          %circle

+\else\if\member A%right aromatic circle 

+  \put(513,506){\circle{240}}%          %circle

+\else

+% setting fused rings

+  \expandafter\twoCH@R\member//%

+  \set@fusion@hphenanv

+\fi\fi\fi\fi\fi\fi\fi\fi\fi\fi\fi\fi\fi\fi\fi\fi\fi\fi\fi\fi\fi\fi}%

+%exocyclic bonds and substituents

+\put(0,0){\setsixringv{#2}{-4}{0}{2}{0}}%   %for 5 position

+\put(0,0){\setsixringv{#2}{12}{3}{7}{-1}}%   %for 6 to 8 positions

+\put(342,0){\setsixringv{#2}{13}{2}{5}{-1}}%   %for 9 to 10 positions

+\put(513,303){\setsixringv{#2}{4}{0}{4}{-1}}% %for 1 to 3 positions

+\put(513,303){\setsixringv{#2}{2}{5}{7}{0}}%  %for 4-position

+%bonds and substituents for fused positions

+\put(0,0){\setfusedbond{#2}{-12}{-1}{1}{0}}%  % for 4b and 8a

+\put(342,0){\setfusedbond{#2}{-10}{0}{2}{0}}% % for 4a and 10a

+\end{picture}}%               %end of \hphenanthrenev macro%

+%    \end{macrocode}

+% \end{macro}

+%

+% \subsection{Phenanthrene and phenanthroquinone derivatives}

+%

+% The macro |\phenanthrenev| is used for drawing phenanthrene derivatives 

+% of vertical type. 

+% 

+% The macro |\anthracenev| has an argument |SUBSLIST| as well as an optional 

+% argument |OPT|.  The latter designates a bond pattern in place of  

+% individual exocyclic bonds. 

+%

+% \begin{verbatim}

+% *********************************

+% * phenanthrene and  derivatives *

+% *  (vertical type)              *

+% *********************************

+%

+%   \phenanthrenev[OPT]{SUBSLIST}

+% \end{verbatim}

+%

+% The |OPT| argument contains one or two characters for designate

+% aromatic bond patterns or for naphthoquinone bond patterns. 

+%

+% \begin{verbatim}

+%     OPT (bond pattern) 

+%

+%           none or r  :  right-handed double bonds

+%           A          :  aromatic circle

+%

+%           p or pa    :  1,4-quinone (A) 

+%           pA         :  1,4-quinone (circle type)

+%

+%           o or oa    :  1,2-quinone (A)

+%           oA         :  1,2-quinone (circle type)

+%           ob         :  2,3-quinone (B)

+%           oc         :  3,4-anthraquinone (C)

+%

+%           q or qa    :  9,10-quinone

+%           qA         :  9,10-quinone (circle type)

+% \end{verbatim}

+%

+% The |SUBSLIST| argument contains one or more substitution descriptors 

+% which are separated from each other by a semicolon.  Each substitution 

+% descriptor has a locant number with a bond modifier and a substituent, 

+% where these are separated with a double equality symbol. 

+%

+% \begin{verbatim}

+%     SUBSLIST: list of substituents

+%

+%       for n = 1 to 10

+%

+%           nD         :  exocyclic double bond at n-atom

+%           n or nS    :  exocyclic single bond at n-atom

+%           nA         :  alpha single bond at n-atom

+%           nB         :  beta single bond at n-atom

+%           nSA        :  alpha single bond at n-atom (boldface)

+%           nSB        :  beta single bond at n-atom (dotted line)

+%           nSa        :  alpha (not specified) single bond at n-atom

+%           nSb        :  beta (not specified) single bond at n-atom

+%

+%           nSd        :  alpha single bond at n-atom (dotted line) 

+%                           with an alternative direction to nSA 

+%           nSu        :  beta single bond at n-atom (boldface) 

+%                           with an alternative direction to nSB 

+%           nFA        :  alpha single bond at n-atom (dotted line) 

+%                           for ring fusion 

+%           nFB        :  beta single bond at n-atom (boldface) 

+%                           for ring fusion 

+%           nGA        :  alpha single bond at n-atom (dotted line) 

+%                           for the other ring fusion 

+%           nGB        :  beta single bond at n-atom (boldface) 

+%                           for the other ring fusion 

+% \end{verbatim}

+%

+% \begin{verbatim}

+%       e.g. 

+%        

+%        \phenanthrenev{1==Cl;2==F}

+%        \phenanthrenev[A]{1==Cl;4==F;2==CH$_{3}$}

+%        \phenanthrenev[eb]{1D==O;4SA==MeO;4SB==OMe;%

+%               5W==Cl;6==Cl;7==Cl;8==Cl}

+% \end{verbatim}

+%

+% \begin{macro}{\phenanthrenev}

+%    \begin{macrocode}

+\def\phenanthrenev{\@ifnextchar[{\@phenanthrenev}{\@phenanthrenev[r]}}

+\def\@phenanthrenev[#1]#2{%

+ \iforigpt \typeout{command `phenanthrenev' is %

+    based on `hphenantherenv'.}\fi%

+ \expandafter\threech@r#1{}{}%

+ \if\@tmpa r% right-handed set of double bonds

+    \hphenanthrenev[acgilop]{#2}%

+ \else\if\@tmpa A%aromatic circle

+    \hphenanthrenev[ABC]{#2}%

+ \else\if\@tmpa p%1,4-quinone

+  \if\@tmpb a% (A)%

+    \hphenanthrenev[bgilop]{#2}%

+   \else\ifx\@tmpb\empty% (A)

+    \hphenanthrenev[bgilop]{#2}%

+   \else\if\@tmpb A% circle type

+    \hphenanthrenev[BCb]{#2}%

+   \else 

+    \hphenanthrenev[bgilop]{#2}%

+  \fi\fi\fi%

+ \else\if\@tmpa o%o-quinone

+  \if\@tmpb a% (A)%

+    \hphenanthrenev[cgilop]{#2}%

+   \else\ifx\@tmpb\empty% (A)

+    \hphenanthrenev[cgilop]{#2}%

+   \else\if\@tmpb b% (B)

+    \hphenanthrenev[dgilnp]{#2}%

+   \else\if\@tmpb c% (C)

+    \hphenanthrenev[agilop]{#2}%

+   \else\if\@tmpb A% cicle type

+    \hphenanthrenev[cBC]{#2}%

+  \fi\fi\fi\fi\fi%

+ \else\if\@tmpa q%9,10-quinone

+  \if\@tmpb a% (A)%

+    \hphenanthrenev[acgiop]{#2}%

+   \else\ifx\@tmpb\empty% (A)

+    \hphenanthrenev[acgiop]{#2}%

+   \else\if\@tmpb A% circle type

+    \hphenanthrenev[AC]{#2}%

+   \else 

+    \hphenanthrenev[acgiop]{#2}%

+  \fi\fi\fi%

+ \else 

+    \hphenanthrenev[@#1]{#2}%

+ \fi\fi\fi\fi\fi%

+}%               %end of \phenanthrenev macro%

+%    \end{macrocode}

+% \end{macro}

+%

+% \section{Steroids}

+% \subsection{Steroids without a chain}

+%

+% The macro |\steroid| is used for drawing steroids.  

+% 

+% The macro |\steroid| has an argument |SUBSLIST| as well as an 

+% optional argument |BONDLIST|.  

+%

+% \begin{verbatim}

+% ***********************

+% * steroid derivatives *

+% ***********************

+%  

+%   \steroid[BONDLIST]{SUBSLIST}          

+% \end{verbatim}

+%

+% The |BONDLIST| argument contains one or more 

+% characters selected form a to t, each of which indicates 

+% the presence of an inner (endcyclic) double bond on the corresponding 

+% position. The character A, B, or C indicates an aromatic bond 

+% pattern (circle). 

+% \changes{v1.02}{1998/10/15}{BONDLIST: k, K, h, H, o and O 

+% at the fused bond}

+%

+% \begin{verbatim}

+%     BONDLIST = 

+%

+%           none:  steroid skeleton

+%           a   :  1,2-double bond        b   :  2,3-double bond

+%           c   :  3,4-double bond        d   :  4,5-double bond

+%           e   :  6,5-double bond        f   :  6,7-double bond

+%           g   :  7,8-double bond        

+%           h   :  9,8-double bond

+%           h   :  9,8-double bond in the other bond

+%           i   :  9,10-double bond       j   :  1,10-double bond

+%           k   :  5,10-double bond

+%           K   :  5,10-double bond in the other bond

+%           l   :  9,11-double bond

+%           m   :  12,11-double bond      n   :  12,13-double bond

+%           o   :  14,13-double bond

+%           O   :  14,13-double bond in the other bond

+%           p   :  8,14-double bond

+%           q   :  14,15-double bond      r   :  15,16-double bond

+%           s   :  17,16-double bond      t   :  17,13-double bond

+%           A   :  aromatic A ring        B   :  aromatic B ring

+%           C   :  aromatic C ring

+% \end{verbatim}

+%

+% The |SUBSLIST| argument contains one or more substitution descriptors 

+% which are separated from each other by a semicolon.  Each substitution 

+% descriptor has a locant number with a bond modifier and a substituent, 

+% where these are separated with a double equality symbol. 

+%

+% \begin{verbatim}

+%

+%     SUBSLIST: list of substituents

+%

+%       for n = 1 to 17 (execpt fused positions)

+%

+%           nD         :  exocyclic double bond at n-atom

+%           n or nS    :  exocyclic single bond at n-atom

+%           nA         :  alpha single bond at n-atom (boldface)

+%           nB         :  beta single bond at n-atom (dotted line)

+%           nSA        :  alpha single bond at n-atom (boldface)

+%           nSB        :  beta single bond at n-atom (dotted line)

+%           nSa        :  alpha (not specified) single bond at n-atom

+%           nSb        :  beta (not specified) single bond at n-atom

+%

+%           nSd        :  alpha single bond at n-atom (dotted line) 

+%                           with an alternative direction to nSA 

+%           nSu        :  beta single bond at n-atom (boldface) 

+%                           with an alternative direction to nSB 

+%           nFA        :  alpha single bond at n-atom (dotted line) 

+%                           for ring fusion 

+%           nFB        :  beta single bond at n-atom (boldface) 

+%                           for ring fusion 

+%           nGA        :  alpha single bond at n-atom (dotted line) 

+%                           for the other ring fusion 

+%           nGB        :  beta single bond at n-atom (boldface) 

+%                           for the other ring fusion 

+% \end{verbatim}

+%

+% For numbers larger than 9 (two digits), you should designate

+% the SUBSLIST as 

+%

+% \begin{verbatim}

+%             {{11}A}==Cl;{{12}SA}==H;{{12}SB}==Cl;

+% \end{verbatim}

+%

+% \begin{verbatim}

+%       for n = 5,8,9,10,13 and 14 (fused positions)

+%

+%           n or nS    :  exocyclic single bond at n-atom

+%           nA         :  alpha single bond at n-atom (boldface)

+%           nB         :  beta single bond at n-atom (dotted line)

+%           nU         :  unspecified single bond at n-atom

+% \end{verbatim}

+%

+% \begin{verbatim}

+%       e.g. 

+%        

+%        \steroid{1==Cl;2==F;{{10}}==OH}

+%        \steroid[c]{1==Cl;4==F;2==CH$_{3}$;

+%            {{11}SA}==OH;{{11}SB}==OH}

+%        \steroid[eb]{1D==O;4SA==MeO;4SB==OMe;

+%                   5==Cl;6==Cl;7==Cl;8==Cl}

+% \end{verbatim}

+% \changes{v1.02}{1998/10/15}{The command \cs{setdecaringv} has 

+% been stopped to use.}

+% \changes{v1.02}{1998/10/31}{Adding \cs{ylpositionh}, \cs{if@ylsw}

+% \cs{ylfusedposition}, 

+% \cs{yl@shiftii}, \cs{@ylii}, \cs{@@ylii}, \cs{yl@shifti}, \cs{@yli}, 

+% \cs{@yli}, \cs{yl@xdiff} and \cs{yl@ydiff}}

+% \changes{v1.02}{1998/10/31}{Inner commands \cs{yl@steroidposition} 

+% and \cs{@steroidskeleton} are separated from the \cs{@steroid} command.}

+% \changes{v2.00}{1998/12/5}{Add: fused rings}

+%

+% \begin{macro}{\steroid}

+% \begin{macro}{\yl@steroidposition}

+% \begin{macro}{\@steroidskeleton}

+%    \begin{macrocode}

+\def\steroid{\@ifnextchar[{\@steroid[@}{\@steroid[Z]}}

+\def\@steroid[#1]#2{%

+% bonds for outer skeleton

+\@reset@ylsw\reset@@yl

+\yl@steroidposition{#2}%

+\if@ylsw

+ \yl@shiftii=\@ylii 

+ \ifx\@@ylii\empty\else

+ \advance\yl@shiftii\@@ylii\fi

+ \yl@shifti=\@yli 

+ \ifx\@@yli\empty\else

+ \advance\yl@shifti\@@yli\fi

+ \advance\yl@shiftii\yl@xdiff

+ \advance\yl@shifti\yl@ydiff

+ \begin{picture}(0,0)(-\yl@shiftii,-\yl@shifti)

+ \reset@yl@xydiff%1999/1/6 by S. Fujita

+\else

+ \begin{picture}(1600,1300)(-\shiftii,-\shifti)

+  \iforigpt \put(-\shiftii,-\shifti){\circle*{50}}%

+           \put(-\noshift,-\noshift){\circle{50}}% 

+   \typeout{command `steroid' origin: %

+    (\the\noshift,\the\noshift) ---> (\the\shiftii,\the\shifti)}\fi%

+\fi

+  \put(0,0){\@steroidskeleton{#1}{#2}}%

+\end{picture}}%               %end of \steroid macro%

+%    \end{macrocode}

+%

+% The |\yl@steroidposition| is derived from |\ylposition| and 

+% |\ylatombondposition| to use in the |\steroid| command as well as 

+% in the |\steroidchain| command.

+% \changes{v1.02}{1998/10/31}{Inner commands \cs{yl@steroidposition} 

+% and \cs{@steroidskeleton} are separated from the \cs{@steroid} command.}

+% 

+%    \begin{macrocode}

+\def\yl@steroidposition#1{%

+\ylposition{#1}{0}{0}{2}{0}%  %for 1

+\if@ylsw \ifx\@@ylii\empty

+\def\@@ylii{0}\def\@@yli{0}\fi

+\else

+\ylposition{#1}{8}{3}{7}{-1}%  %for 2 to 4 positions

+\fi

+\if@ylsw\ifx\@@ylii\empty

+\def\@@ylii{0}\def\@@yli{0}\fi\else

+\ylposition{#1}{10}{2}{5}{-1}% %for 6 to 7 positions

+\fi

+\if@ylsw\ifx\@@ylii\empty

+\def\@@ylii{-342}\def\@@yli{0}\fi\else

+\ylposition{#1}{-11}{0}{2}{0}%for 12 position

+\fi

+\if@ylsw\ifx\@@ylii\empty

+\def\@@ylii{-513}\def\@@yli{-303}\fi\else

+\ylposition{#1}{-5}{5}{7}{0}% %for 11 position

+\fi

+\if@ylsw\ifx\@@ylii\empty

+\def\@@ylii{-513}\def\@@yli{-303}\fi\else

+\ylposition{#1}{18}{0}{4}{-1}%for 15 to 17 positions

+\fi

+\if@ylsw\ifx\@@ylii\empty

+\def\@@ylii{-855}\def\@@yli{-303}\fi\else

+\ylatombondposition{#1}{-4}{7}%     % for 5

+\fi

+\if@ylsw\ifx\@@ylii\empty

+\def\@@ylii{-171}\def\@@yli{-103}\fi\else

+\ylatombondposition{#1}{-9}{1}%     % for 10

+\fi

+\if@ylsw\ifx\@@ylii\empty

+\def\@@ylii{-171}\def\@@yli{-303}\fi\else

+\ylatombondposition{#1}{-7}{1}%     % for 8

+\fi

+\if@ylsw\ifx\@@ylii\empty

+\def\@@ylii{-513}\def\@@yli{-303}\fi\else

+\ylatombondposition{#1}{-8}{7}%     % for 9

+\fi

+\if@ylsw\ifx\@@ylii\empty

+\def\@@ylii{-342}\def\@@yli{-406}\fi\else

+\ylatombondposition{#1}{-13}{7}%    % for 14

+\fi

+\if@ylsw\ifx\@@ylii\empty

+\def\@@ylii{-684}\def\@@yli{-406}\fi\else

+\ylatombondposition{#1}{-12}{1}%    % for 13

+\fi

+\if@ylsw\ifx\@@ylii\empty

+\def\@@ylii{-684}\def\@@yli{-606}\fi\fi%

+}% end of \yl@steroidposition

+%    \end{macrocode}

+%

+% The |\@steroidskeleton| is separated from the definition of |\steroid| 

+% so as to be used also in the definition of |\steroidchain|. 

+% \changes{v1.02}{1998/10/31}{Inner commands \cs{yl@steroidposition} 

+% and \cs{@steroidskeleton} are separated from the \cs{@steroid} command.}

+% \changes{v2.00}{1998/11/23}{Added: fused rings}

+%

+%    \begin{macrocode}

+\def\@steroidskeleton#1#2{%

+  \put(0,406){\line(-5,-3){171}}%       %bond 1-2

+  \put(0,406){\line(5,-3){171}}%        %bond 1-10

+  \put(0,0){\line(-5,3){171}}%          %bond 4-3

+  \put(0,0){\line(5,3){171}}%           %bond 4-5

+  \put(171,103){\line(0,1){200}}%       %bond 5-10

+  \put(-171,103){\line(0,1){200}}%      %bond 3-2

+  \put(342,406){\line(-5,-3){171}}%     %bond 9-10

+  \put(342,406){\line(5,-3){171}}%      %bond 9-8

+  \put(342,0){\line(-5,3){171}}%        %bond 6-5

+  \put(342,0){\line(5,3){171}}%         %bond 6-7

+  \put(513,103){\line(0,1){200}}%       %bond 7-8

+  %%%%

+  \put(342,406){\line(0,1){200}}%       %bond 9-11

+  \put(513,709){\line(-5,-3){171}}%     %bond 12-11

+  \put(513,709){\line(5,-3){171}}%      %bond 12-13

+  \put(684,406){\line(0,1){200}}%       %bond 14-13

+  \put(513,303){\line(5,3){171}}%       %bond 8-14

+  %%%%

+  \put(855,709){\line(-5,-3){171}}%     %bond 17-13

+  \put(855,709){\line(5,-3){171}}%      %bond 17-16

+  \put(1026,406){\line(0,1){200}}%      %bond 15-16

+  \put(684,406){\line(1,0){342}}%       %bond 14-15

+% inner double bonds

+\@tfor\member:=#1\do{%

+\if\member Z%no endcyclic double bonds

+\else\if\member a%

+  \put(-6,364){\line(-5,-3){126}}%      %double bond 1-2 5-6

+\else\if\member b%

+  \put(-138,129){\line(0,1){148}}%      %double bond 3-2 6-7

+\else\if\member c%

+  \put(-6,42){\line(-5,3){126}}%        %double bond 4-3 8-7

+\else\if\member d%

+  \put(6,42){\line(5,3){126}}%          %double bond 4-5 8-8a

+\else\if\member e%

+  \put(348,42){\line(-5,3){126}}%       %double bond 6-5 9-8a

+\else\if\member f%

+  \put(348,42){\line(5,3){126}}%        %double bond 6-7 9-10

+\else\if\member g%

+  \put(482,129){\line(0,1){148}}%       %double bond 7-8 10-10a

+\else\if\member h%

+  \put(507,345){\line(-5,3){126}}%      %double bond 8-9  10a-4a

+\else\if\member H%

+  \put(348,364){\line(5,-3){126}}%     %double bond 9-8  4a-10a

+\else\if\member i%

+  \put(348,364){\line(-5,-3){126}}%     %double bond 9-10  4a-4b

+\else\if\member j%

+  \put(6,364){\line(5,-3){126}}%        %double bond 1-10 5-4b

+\else\if\member k%

+  \put(138,129){\line(0,1){148}}%       %double bond 5-10 8a-4b

+\else\if\member K%

+  \put(204,129){\line(0,1){148}}%       %double bond 5-10 8a-4b

+\else\if\member l%

+  \put(375,432){\line(0,1){148}}%       %double bond 9-11    4-5

+\else\if\member m%

+  \put(519,667){\line(-5,-3){126}}%     %double bond 12-11   3-4

+\else\if\member n%

+  \put(519,667){\line(5,-3){126}}%      %double bond 12-13   3-2

+\else\if\member o%

+  \put(651,432){\line(0,1){148}}%       %double bond 13-14  1-2

+\else\if\member O%

+  \put(717,432){\line(0,1){148}}%       %double bond 13-14  1-2

+\else\if\member p%

+  \put(519,345){\line(5,3){126}}%       %double bond 8-14 10a-1

+\else\if\member q%

+  \put(720,439){\line(1,0){260}}%       %double bond 14-15

+\else\if\member r%

+  \put(993,432){\line(0,1){148}}%       %double bond 15-16  1-2

+\else\if\member s%

+  \put(861,667){\line(5,-3){126}}%      %double bond 17-16   3-2

+\else\if\member t%

+  \put(861,667){\line(-5,-3){126}}%     %double bond 17-13   3-4

+\else\if\member A%left aromatic circle 

+  \put(0,203){\circle{240}}%            %circle

+\else\if\member B%right aromatic circle 

+  \put(342,203){\circle{240}}%          %circle

+\else\if\member C%right aromatic circle 

+  \put(513,506){\circle{240}}%          %circle

+\else

+% setting fused rings

+  \expandafter\twoCH@R\member//%

+  \set@fusion@steroid

+\fi\fi\fi\fi\fi\fi\fi\fi\fi\fi\fi\fi\fi\fi\fi\fi\fi\fi%

+\fi\fi\fi\fi\fi\fi\fi\fi\fi}%

+%exocyclic bonds and substituents

+\iniflag

+\put(0,0){\setsixringv{#2}{0}{0}{2}{0}}%  %for 1

+\put(0,0){\setsixringv{#2}{8}{3}{7}{-1}}%  %for 2 to 4 positions

+\put(342,0){\setsixringv{#2}{10}{2}{5}{-1}}% %for 6 to 7 positions

+\put(513,303){\setsixringv{#2}{-11}{0}{2}{0}}%for 12 position

+\put(513,303){\setsixringv{#2}{-5}{5}{7}{0}}% %for 11 position

+\put(855,303){\setsixringv{#2}{18}{0}{4}{-1}}%for 15 to 17 positions

+%bonds and substituents for fused positions

+\put(171,103){\setatombond{#2}{-4}{7}}%     % for 5

+\put(171,303){\setatombond{#2}{-9}{1}}%     % for 10

+\put(513,303){\setatombond{#2}{-7}{1}}%     % for 8

+\put(342,406){\setatombond{#2}{-8}{7}}%     % for 9

+\put(684,406){\setatombond{#2}{-13}{7}}%    % for 14

+\put(684,606){\setatombond{#2}{-12}{1}}%    % for 13

+}% end of \@steroidskeleton

+%    \end{macrocode}

+% \end{macro}

+% \end{macro}

+% \end{macro}

+%

+% The macro |\set@fusion@steroid| is an inner command contained 

+% in the definition of |\steroidskeleton|, where   

+% the macro is used for setting an additive 

+% or a fused ring at each bond (designated by |\@@tmpa|).  The 

+% fused ring is typeset by the inner command |\set@fusionadd@sixv|. 

+%

+% \begin{macro}{\set@fusion@steroid}

+% \changes{v2.00}{1998/11/23}{New command: \cs{set@fusion@steroid}}
+%    \begin{macrocode}

+\def\set@fusion@steroid{%

+  \let\@@tmpa=\@tmpa

+  \let\@@tmpb=\@tmpb

+  \if\@tmpa a%

+      \edef\@@tmpa{f}%

+      \put(0,0){\set@fusionadd@sixv}%

+  \else\if\@tmpa A%

+      \edef\@@tmpa{F}%

+      \put(0,0){\set@fusionadd@sixv}%

+  \else\if\@tmpa b%

+      \edef\@@tmpa{e}%

+      \put(0,0){\set@fusionadd@sixv}%

+  \else\if\@tmpa B%

+      \edef\@@tmpa{E}%

+      \put(0,0){\set@fusionadd@sixv}%

+  \else\if\@tmpa c%

+      \edef\@@tmpa{d}%

+      \put(0,0){\set@fusionadd@sixv}%

+  \else\if\@tmpa C%

+      \edef\@@tmpa{D}%

+      \put(0,0){\set@fusionadd@sixv}%

+  \else\if\@tmpa d%

+      \edef\@@tmpa{c}%

+      \put(0,0){\set@fusionadd@sixv}%

+      \if@smallringsw\else

+       \XyMTeXWarning{Unfavorable Fusion for bond `d'}%

+      \fi

+  \else\if\@tmpa D%

+      \edef\@@tmpa{C}%

+      \put(0,0){\set@fusionadd@sixv}%

+      \if@smallringsw\else

+       \XyMTeXWarning{Unfavorable Fusion for bond `D'}%

+      \fi

+  \else\if\@tmpa e%

+      \edef\@@tmpa{d}%

+      \put(342,0){\set@fusionadd@sixv}%

+      \if@smallringsw\else

+       \XyMTeXWarning{Unfavorable Fusion for bond `e'}%

+      \fi

+  \else\if\@tmpa E%

+      \edef\@@tmpa{D}%

+      \put(342,0){\set@fusionadd@sixv}%

+      \if@smallringsw\else

+       \XyMTeXWarning{Unfavorable Fusion for bond `E'}%

+      \fi

+  \else\if\@tmpa f%

+      \edef\@@tmpa{c}%

+      \put(342,0){\set@fusionadd@sixv}%

+      \if@smallringsw\else

+       \XyMTeXWarning{Unfavorable Fusion for bond `f'}%

+      \fi

+  \else\if\@tmpa F%

+      \edef\@@tmpa{C}%

+      \put(342,0){\set@fusionadd@sixv}%

+      \if@smallringsw\else

+       \XyMTeXWarning{Unfavorable Fusion for bond `f'}%

+      \fi

+  \else\if\@tmpa g%

+      \edef\@@tmpa{b}%

+      \put(342,0){\set@fusionadd@sixv}%

+      \if@smallringsw\else

+       \XyMTeXWarning{Unfavorable Fusion for bond `g'}%

+      \fi

+  \else\if\@tmpa G%

+      \edef\@@tmpa{B}%

+      \put(342,0){\set@fusionadd@sixv}%

+      \if@smallringsw\else

+       \XyMTeXWarning{Unfavorable Fusion for bond `g'}%

+      \fi

+  \else\if\@tmpa h%

+      \edef\@@tmpa{a}%

+      \put(342,0){\set@fusionadd@sixv}%

+      \if@smallringsw\else

+       \XyMTeXWarning{Forbidden Fusion for bond `h'}%

+      \fi

+  \else\if\@tmpa H%

+      \edef\@@tmpa{A}%

+      \put(342,0){\set@fusionadd@sixv}%

+      \if@smallringsw\else

+       \XyMTeXWarning{Forbidden Fusion for bond `H'}%

+      \fi

+  \else\if\@tmpa i%

+      \edef\@@tmpa{f}%

+      \put(342,0){\set@fusionadd@sixv}%

+      \if@smallringsw\else

+       \XyMTeXWarning{Unfavorable Fusion for bond `i'}%

+      \fi

+  \else\if\@tmpa I%

+      \edef\@@tmpa{F}%

+      \put(342,0){\set@fusionadd@sixv}%

+      \if@smallringsw\else

+       \XyMTeXWarning{Unfavorable Fusion for bond `I'}%

+      \fi

+  \else\if\@tmpa j%

+      \edef\@@tmpa{a}%

+      \put(0,0){\set@fusionadd@sixv}%

+      \if@smallringsw\else

+       \XyMTeXWarning{Unfavorable Fusion for bond `j'}%

+      \fi

+  \else\if\@tmpa J%

+      \edef\@@tmpa{A}%

+      \put(0,0){\set@fusionadd@sixv}%

+      \if@smallringsw\else

+       \XyMTeXWarning{Unfavorable Fusion for bond `J'}%

+      \fi

+  \else\if\@tmpa k%

+      \edef\@@tmpa{b}%

+      \put(0,0){\set@fusionadd@sixv}%

+      \if@smallringsw\else

+       \XyMTeXWarning{Forbidden Fusion for bond `k'}%

+      \fi

+  \else\if\@tmpa K%

+      \edef\@@tmpa{B}%

+      \put(0,0){\set@fusionadd@sixv}%

+      \if@smallringsw\else

+       \XyMTeXWarning{Forbidden Fusion for bond `K'}%

+      \fi

+  \else\if\@tmpa l%

+      \edef\@@tmpa{e}%

+      \put(513,303){\set@fusionadd@sixv}%

+      \if@smallringsw\else

+       \XyMTeXWarning{Unfavorable Fusion for bond `l'}%

+      \fi

+  \else\if\@tmpa L%

+      \edef\@@tmpa{E}%

+      \put(513,303){\set@fusionadd@sixv}%

+      \if@smallringsw\else

+       \XyMTeXWarning{Unfavorable Fusion for bond `L'}%

+      \fi

+  \else\if\@tmpa m%

+      \edef\@@tmpa{f}%

+      \put(513,303){\set@fusionadd@sixv}%

+  \else\if\@tmpa M%

+      \edef\@@tmpa{F}%

+      \put(513,303){\set@fusionadd@sixv}%

+  \else\if\@tmpa n%

+      \edef\@@tmpa{a}%

+      \put(513,303){\set@fusionadd@sixv}%

+      \if@smallringsw\else

+       \XyMTeXWarning{Unfavorable Fusion for bond `n'}%

+      \fi

+  \else\if\@tmpa N%

+      \edef\@@tmpa{A}%

+      \put(513,303){\set@fusionadd@sixv}%

+      \if@smallringsw\else

+       \XyMTeXWarning{Unfavorable Fusion for bond `N'}%

+      \fi

+  \else\if\@tmpa o%

+      \edef\@@tmpa{b}%

+      \put(513,303){\set@fusionadd@sixv}%

+      \if@smallringsw\else

+       \XyMTeXWarning{Forbidden Fusion for bond `o'}%

+      \fi

+  \else\if\@tmpa O%

+      \edef\@@tmpa{B}%

+      \put(513,303){\set@fusionadd@sixv}%

+      \if@smallringsw\else

+       \XyMTeXWarning{Forbidden Fusion for bond `O'}%

+      \fi

+  \else\if\@tmpa p%

+      \edef\@@tmpa{c}%

+      \put(513,303){\set@fusionadd@sixv}%

+      \if@smallringsw\else

+       \XyMTeXWarning{Unfavorable Fusion for bond `N'}%

+      \fi

+  \else\if\@tmpa P%

+      \edef\@@tmpa{C}%

+      \put(513,303){\set@fusionadd@sixv}%

+      \if@smallringsw\else

+       \XyMTeXWarning{Unfavorable Fusion for bond `N'}%

+      \fi

+  \else\if\@tmpa q%

+       \XyMTeXWarning{Mismatched dimension for bond `q'}%

+  \else\if\@tmpa Q%

+       \XyMTeXWarning{Mismatched dimension for bond `Q'}%

+  \else\if\@tmpa r%

+      \edef\@@tmpa{b}%

+      \put(855,303){\set@fusionadd@sixv}%

+  \else\if\@tmpa R%

+      \edef\@@tmpa{B}%

+      \put(855,303){\set@fusionadd@sixv}%

+  \else\if\@tmpa s%

+      \edef\@@tmpa{a}%

+      \put(855,303){\set@fusionadd@sixv}%

+  \else\if\@tmpa S%

+      \edef\@@tmpa{A}%

+      \put(855,303){\set@fusionadd@sixv}%

+  \else\if\@tmpa t%

+      \edef\@@tmpa{f}%

+      \put(855,303){\set@fusionadd@sixv}%

+      \if@smallringsw\else

+       \XyMTeXWarning{Unfavorable Fusion for bond `t'}%

+      \fi

+  \else\if\@tmpa T%

+      \edef\@@tmpa{F}%

+      \put(855,303){\set@fusionadd@sixv}%

+      \if@smallringsw\else

+       \XyMTeXWarning{Unfavorable Fusion for bond `T'}%

+      \fi

+   \fi\fi\fi\fi\fi\fi\fi\fi%

+   \fi\fi\fi\fi\fi\fi\fi\fi\fi\fi%

+  \fi\fi\fi\fi\fi\fi\fi\fi\fi\fi\fi\fi%

+  \fi\fi\fi\fi\fi\fi\fi\fi\fi\fi%

+}% end of the macro \set@fusion@steroid

+%    \end{macrocode}

+% \end{macro}

+%

+% \subsection{Steroids with a chain}

+%

+% The macro |\steroidchain| is used for drawing steroids.  

+% 

+% The macro |\steroidchain| has an argument |SUBSLIST| as well as an 

+% optional argument |BONDLIST|.  

+%

+% \begin{verbatim}

+% **************************************

+% * steroid derivatives having a chain *

+% **************************************

+%  

+%   \steroidchain[BONDLIST]{SUBSLIST}          

+% \end{verbatim}

+%

+% The |BONDLIST| argument contains one or more 

+% characters selected form a to t, each of which indicates 

+% the presence of an inner (endcyclic) double bond on the corresponding 

+% position. The character A, B, or C indicates an aromatic bond 

+% pattern (circle).  A two-character string `Z?' indicates 

+% a double bond in the side-chain. 

+%

+% \begin{verbatim}

+%     BONDLIST = 

+%

+%       (double bonds for the steroid skeleton)

+%           none:  no action on the steroid skeleton

+%           a   :  1,2-double bond        b   :  2,3-double bond

+%           c   :  3,4-double bond        d   :  4,5-double bond

+%           e   :  6,5-double bond        f   :  6,7-double bond

+%           g   :  7,8-double bond        h   :  9,8-double bond

+%           i   :  9,10-double bond       j   :  1,10-double bond

+%           k   :  5,10-double bond       l   :  9,11-double bond

+%           m   :  12,11-double bond      n   :  12,13-double bond

+%           o   :  14,13-double bond      p   :  8,14-double bond

+%           q   :  14,15-double bond      r   :  15,16-double bond

+%           s   :  17,16-double bond      t   :  17,13-double bond

+%           A   :  aromatic A ring        B   :  aromatic B ring

+%           C   :  aromatic C ring

+% \end{verbatim}

+%

+% \begin{verbatim}

+%       (double bonds for the side chain)

+%           Z   :  no action

+%          Za   :  17,20-double bond     Zb   :  20,22-double bond

+%          Zc   :  22,23-double bond     Zd   :  23,24-double bond

+%          Ze   :  24,25-double bond     Zf   :  25,26-double bond

+%          Zg   :  25,27-double bond

+% \end{verbatim}

+%

+%  For a two-character indicator, you should write the BONDLIST 

+%  as, e.g.

+%

+% \begin{verbatim}

+%              [b{Za}{Zc}...]

+% \end{verbatim}

+%

+% The |SUBSLIST| argument contains one or more substitution descriptors 

+% which are separated from each other by a semicolon.  Each substitution 

+% descriptor has a locant number with a bond modifier and a substituent, 

+% where these are separated with a double equality symbol. 

+%

+% \begin{verbatim}

+%     SUBSLIST: list of substituents

+%

+%       for n = 1 to 24 (execpt fused positions)

+%

+%           nD         :  exocyclic double bond at n-atom

+%           n or nS    :  exocyclic single bond at n-atom

+%           nA         :  alpha single bond at n-atom (boldface)

+%           nB         :  beta single bond at n-atom (dotted line)

+%           nSA        :  alpha single bond at n-atom (boldface)

+%           nSB        :  beta single bond at n-atom (dotted line)

+%           nSa        :  alpha (not specified) single bond at n-atom

+%           nSb        :  beta (not specified) single bond at n-atom

+%

+%           nSd        :  alpha single bond at n-atom (dotted line) 

+%                           with an alternative direction to nSA 

+%           nSu        :  beta single bond at n-atom (boldface) 

+%                           with an alternative direction to nSB 

+%           nFA        :  alpha single bond at n-atom (dotted line) 

+%                           for ring fusion 

+%           nFB        :  beta single bond at n-atom (boldface) 

+%                           for ring fusion 

+%           nGA        :  alpha single bond at n-atom (dotted line) 

+%                           for the other ring fusion 

+%           nGB        :  beta single bond at n-atom (boldface) 

+%                           for the other ring fusion 

+% \end{verbatim}

+%

+% For numbers larger than 9 (two digits), you should designate

+% the SUBSLIST as 

+%

+% \begin{verbatim}

+%             {{11}A}==Cl;{{12}SA}==H;{{12}SB}==Cl; ...

+% \end{verbatim}

+%

+% \begin{verbatim}

+%       for n = 5,8,9,10,13,14,and 25 (fused positions etc.)

+%

+%           n or nS    :  exocyclic single bond at n-atom

+%           nA         :  alpha single bond at n-atom (boldface)

+%           nB         :  beta single bond at n-atom (dotted line)

+%           nU         :  unspecified single bond at n-atom

+% \end{verbatim}

+%

+% \begin{verbatim}

+%       e.g. 

+%        

+%        \steroidchain{1==Cl;2==F;{{10}}==OH}

+%        \steroidchain[c]{1==Cl;4==F;2==CH$_{3}$;%

+%            {{11}SA}==OH;{{11}SB}==OH}

+%        \steroidchain[b]{1D==O;4SA==MeO;4SB==OMe;%

+%                   ;6==Cl;7==Cl;11==Cl}

+% \end{verbatim}

+%

+% \changes{v1.02}{1998/10/31}{Adding \cs{ylpositionh}, \cs{if@ylsw}

+% \cs{ylfusedposition}, 

+% \cs{yl@shiftii}, \cs{@ylii}, \cs{@@ylii}, \cs{yl@shifti}, \cs{@yli}, 

+% \cs{@yli}, \cs{yl@xdiff} and \cs{yl@ydiff}}

+% \changes{v1.02}{1998/10/31}{The inner commands \cs{yl@steroidposition} 

+% is used.  The old \cs{steroid} is replaced by \cs{@steroidskeleton}.}

+% \changes{v2.00}{1998/11/31}{Add: fused rings}

+%

+% \begin{macro}{\steroidchain}

+%    \begin{macrocode}

+\def\steroidchain{\@ifnextchar[{\@steroidchain[@}{\@steroidchain[Z]}}

+\def\@steroidchain[#1]#2{%

+%shift due to the steroid skeleton

+\@reset@ylsw\reset@@yl

+\yl@steroidposition{#2}%

+%shift due to the side chain

+\ylposition{#2}{-21}{0}{3}{0}%for 22 and 23 positions

+\if@ylsw \ifx\@@ylii\empty

+\def\@@ylii{-1026}\def\@@yli{-606}\fi

+\else

+\ylposition{#2}{-14}{5}{7}{0}%for 20 position

+\fi

+\if@ylsw\ifx\@@ylii\empty

+\def\@@ylii{-1026}\def\@@yli{-606}\fi\else

+\ylposition{#2}{-20}{3}{5}{0}%for 24 position

+\fi

+\if@ylsw\ifx\@@ylii\empty

+\def\@@ylii{-1197}\def\@@yli{-709}\fi\else

+\ylatombondposition{#2}{-24}{4}%      % for 5

+\fi

+\if@ylsw\ifx\@@ylii\empty

+\def\@@ylii{-1397}\def\@@yli{-709}\fi\fi

+\if@ylsw

+ \yl@shiftii=\@ylii 

+ \ifx\@@ylii\empty\else

+ \advance\yl@shiftii\@@ylii\fi

+ \yl@shifti=\@yli 

+ \ifx\@@yli\empty\else

+ \advance\yl@shifti\@@yli\fi

+ \advance\yl@shiftii\yl@xdiff

+ \advance\yl@shifti\yl@ydiff

+ \begin{picture}(0,0)(-\yl@shiftii,-\yl@shifti)

+ \reset@yl@xydiff%1999/1/6 by S. Fujita

+\else

+ \begin{picture}(2000,1500)(-\shiftii,-\shifti)

+  \iforigpt \typeout{command `steroidchain' is based on `steroid'.}\fi%

+\fi

+% steroid skeleton

+  \put(0,0){\@steroidskeleton{#1}{#2}}%

+% bonds for the side chain (carbons 20 to 27 (except 21))

+  \put(855,709){\line(0,1){200}}%       %bond 17-20

+  \put(1026,1012){\line(-5,-3){171}}%   %bond 22-20

+  \put(1026,1012){\line(5,-3){171}}%    %bond 22-23

+  \put(1197,709){\line(0,1){200}}%      %bond 24-23

+  \put(1197,709){\line(1,0){200}}%      %bond 24-25

+  \put(1397,709){\line(3,5){103}}%      %bond 25-26

+  \put(1397,709){\line(3,-5){103}}%     %bond 25-27

+% double bonds along the side chain

+\@tfor\member:=#1\do{%

+\expandafter\twoCH@R\member//\relax%

+\if\@tmpa Z\relax%

+ \ifx\@tmpb\empty%no action

+ \else\if\@tmpb a%

+  \put(888,735){\line(0,1){148}}%       %double bond 17-20

+ \else\if\@tmpb b%

+  \put(1020,970){\line(-5,-3){126}}%    %double bond 22-20

+ \else\if\@tmpb c%

+  \put(1032,970){\line(5,-3){126}}%     %double bond 22-23

+ \else\if\@tmpb d%

+  \put(1164,735){\line(0,1){148}}%      %double bond 24-23

+ \else\if\@tmpb e%

+  \put(1233,742){\line(1,0){140}}%      %double bond 24-25

+ \else\if\@tmpb f%

+  \put(1433,715){\line(3,5){72}}%       %double bond 25-26

+ \else\if\@tmpb g%

+  \put(1433,697){\line(3,-5){72}}%      %double bond 25-27

+ \fi\fi\fi\fi\fi\fi\fi\fi\fi}

+% substitution on the side chain

+\put(1026,606){\setsixringv{#2}{-21}{0}{3}{0}}%for 22 and 23 positions

+\put(1026,606){\setsixringv{#2}{-14}{5}{7}{0}}%for 20 position

+\put(1197,709){\setsixringv{#2}{-20}{3}{5}{0}}%for 24 position

+\put(1397,709){\setatombond{#2}{-24}{4}}%      % for 5

+\end{picture}}%               %end of \steroidchain macro%

+%</carom>

+%    \end{macrocode}

+% \end{macro}

+%

+% \Finale

+%

+\endinput

+
\ No newline at end of file
diff --git a/Master/texmf-dist/source/latex/xymtex/carom.ins b/Master/texmf-dist/source/latex/xymtex/carom.ins
new file mode 100644
index 00000000000..922c74a0936
--- /dev/null
+++ b/Master/texmf-dist/source/latex/xymtex/carom.ins
@@ -0,0 +1,51 @@
+\def\batchfile{carom.ins}

+\input docstrip.tex

+\preamble

+

+This is a generated file.

+

+Copyright 1996, 1988, 2000 by Shinsaku Fujita

+

+This file is part of the XyMTeX system.

+=======================================

+

+Version 1.01 Released on August 16, 1996 

+Version 1.02 Released on October 31, 1998 

+Version 2.00 Released on December 25, 1998

+Version 2.00a Released on June 14, 2000

+

+Copyright (C) 1996,1998,2000 by Shinsaku Fujita, all rights reserved.

+This style file is created for drawing chemical structural formulas 

+This style file is to be contained in the ``xymtex'' directory which 

+is an input directory for TeX. 

+

+Copying of this file is authorized only if either

+

+ (1) you make absolutely no changes to your copy, including name and 

+     directory name 

+ (2) if you do make changes, 

+     (a) you name it something other than the names included in the 

+         ``xymtex'' directory and 

+     (b) you acknowledge the original name. 

+ This restriction ensures that all standard styles are identical.

+

+=======================================

+

+This file contains several codes modified from latex.tex (LaTeX2.09) 

+and from latex.ltx (a LaTeX2e), the reused parts of which are subject to 

+Copyright 1994 the LaTeX3 project and the individual authors (For further 

+copyright information see the file legal.txt of the LaTeX2e standard 

+distribution, and any other copyright indicated in this file.)

+

+\endpreamble

+

+\keepsilent

+

+\generateFile{carom.drv}{t}{%

+  \from{carom.dtx}{driver}}

+

+\generateFile{carom.sty}{t}{%

+  \from{carom.dtx}{carom}}

+

+\endinput

+
\ No newline at end of file
diff --git a/Master/texmf-dist/source/latex/xymtex/ccycle.drv b/Master/texmf-dist/source/latex/xymtex/ccycle.drv
new file mode 100644
index 00000000000..783f24c071e
--- /dev/null
+++ b/Master/texmf-dist/source/latex/xymtex/ccycle.drv
@@ -0,0 +1,81 @@
+%%
+%% This is file `ccycle.drv',
+%% generated with the docstrip utility.
+%%
+%% The original source files were:
+%%
+%% ccycle.dtx  (with options: `driver')
+%% 
+%% This is a generated file.
+%% 
+%% Copyright 1996,1998 by Shinsaku Fujita
+%% 
+%% This file is part of the XyMTeX system.
+%% =======================================
+%% 
+%% Version 1.01 Released on August 16, 1996
+%% Version 1.02 Released on October 31, 1996
+%% Version 2.00 Released on December 25, 1998
+%% 
+%% Copyright (C) 1996,1998 by Shinsaku Fujita, all rights reserved.
+%% This style file is created for drawing chemical structural formulas
+%% This style file is to be contained in the ``xymtex'' directory which
+%% is an input directory for TeX.
+%% 
+%% Copying of this file is authorized only if either
+%% 
+%%  (1) you make absolutely no changes to your copy, including name and
+%%      directory name
+%%  (2) if you do make changes,
+%%      (a) you name it something other than the names included in the
+%%          ``xymtex'' directory and
+%%      (b) you acknowledge the original name.
+%%  This restriction ensures that all standard styles are identical.
+%% 
+%% =======================================
+%% 
+%% This file contains several codes modified from latex.tex (LaTeX2.09)
+%% and from latex.ltx (a LaTeX2e), the reused parts of which are subject to
+%% Copyright 1994 the LaTeX3 project and the individual authors (For further
+%% copyright information see the file legal.txt of the LaTeX2e standard
+%% distribution, and any other copyright indicated in this file.)
+%% 
+%% File: ccycle.dtx
+%% \CharacterTable
+%%  {Upper-case    \A\B\C\D\E\F\G\H\I\J\K\L\M\N\O\P\Q\R\S\T\U\V\W\X\Y\Z
+%%   Lower-case    \a\b\c\d\e\f\g\h\i\j\k\l\m\n\o\p\q\r\s\t\u\v\w\x\y\z
+%%   Digits        \0\1\2\3\4\5\6\7\8\9
+%%   Exclamation   \!     Double quote  \"     Hash (number) \#
+%%   Dollar        \$     Percent       \%     Ampersand     \&
+%%   Acute accent  \'     Left paren    \(     Right paren   \)
+%%   Asterisk      \*     Plus          \+     Comma         \,
+%%   Minus         \-     Point         \.     Solidus       \/
+%%   Colon         \:     Semicolon     \;     Less than     \<
+%%   Equals        \=     Greater than  \>     Question mark \?
+%%   Commercial at \@     Left bracket  \[     Backslash     \\
+%%   Right bracket \]     Circumflex    \^     Underscore    \_
+%%   Grave accent  \`     Left brace    \{     Vertical bar  \|
+%%   Right brace   \}     Tilde         \~}
+\NeedsTeXFormat{pLaTeX2e}
+\ProvidesFile{ccycle.dtx}[1998/12/25 v2.00 XyMTeX{} package file]
+\documentclass{ltxdoc}
+\GetFileInfo{ccycle.dtx}
+\def\UPSILON{\char'7}
+\def\XyM{X\kern-.30em\smash{%
+\raise.50ex\hbox{\UPSILON}}\kern-.30em{M}}
+\def\XyMTeX{\XyM\kern-.1em\TeX}
+\title{Further Cyclic Compounds by {\sffamily ccycle.sty}
+(\fileversion) of \XyMTeX{}}
+\author{Shinsaku Fujita \\
+Department of Chemistry and Materials Technology, \\
+Kyoto Institute of Technology, \\
+Matsugasaki, Sakyoku, Kyoto, 606 Japan
+}
+\date{\filedate}
+\begin{document}
+   \maketitle
+   \DocInput{ccycle.dtx}
+\end{document}
+\endinput
+%%
+%% End of file `ccycle.drv'.
diff --git a/Master/texmf-dist/source/latex/xymtex/ccycle.dtx b/Master/texmf-dist/source/latex/xymtex/ccycle.dtx
new file mode 100644
index 00000000000..7cc870485b6
--- /dev/null
+++ b/Master/texmf-dist/source/latex/xymtex/ccycle.dtx
@@ -0,0 +1,3144 @@
+% \iffalse meta-comment

+%% File: ccycle.dtx

+%

+%  Copyright 1993,1996,1998 by Shinsaku Fujita

+%

+%  This file is part of XyMTeX system.

+%  -------------------------------------

+%

+% This file is a successor to:

+%

+% ccycle.sty

+% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%

+% \typeout{XyMTeX for Drawing Chemical Structural Formulas. Version 1.00}

+% \typeout{       -- Released December 1, 1993 by Shinsaku Fujita}

+% Copyright (C) 1993 by Shinsaku Fujita, all rights reserved.

+%

+% This file is a part of the macro package ``XyMTeX'' which has been 

+% designed for typesetting chemical structural formulas.

+%

+% This file is to be contained in the ``xymtex'' directory which is 

+% an input directory for TeX. It is a LaTeX optional style file and 

+% should be used only within LaTeX, because several macros of the file 

+% are based on LaTeX commands. 

+%

+% For the review of XyMTeX, see

+%  (1)  Shinsaku Fujita, ``Typesetting structural formulas with the text

+%    formatter TeX/LaTeX'', Computers and Chemistry, in press.    

+% The following book deals with an application of TeX/LaTeX to 

+% preparation of manuscripts of chemical fields:

+%  (2)  Shinsaku Fujita, ``LaTeX for Chemists and Biochemists'' 

+%    Tokyo Kagaku Dozin, Tokyo (1993) [in Japanese].  

+%

+% Copying of this file is authorized only if either

+%  (1) you make absolutely no changes to your copy, including name and 

+%     directory name; or

+%  (2) if you do make changes, 

+%     (a) you name it something other than the names included in the 

+%         ``xymtex'' directory and 

+%     (b) you are requested to leave this notice intact.

+% This restriction ensures that all standard styles are identical.

+%

+% Please report any bugs, comments, suggestions, etc. to:

+%   Shinsaku Fujita, 

+%   Ashigara Research Laboratories, Fuji Photo Film Co., Ltd., 

+%   Minami-Ashigara, Kanagawa-ken, 250-01, Japan.

+%

+% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%

+% \def\j@urnalname{ccycle}

+% \def\versi@ndate{December 01, 1993}

+% \def\versi@nno{ver1.00}

+% \def\copyrighth@lder{SF} % Shinsaku Fujita

+% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%

+% \def\j@urnalname{ccycle}

+% \def\versi@ndate{March 05, 1994}

+% \def\versi@nno{ver1.01}

+% \def\copyrighth@lder{SF} % Shinsaku Fujita

+% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%

+% \def\j@urnalname{ccycle}

+% \def\versi@ndate{August 16, 1996}

+% \def\versi@nno{ver1.01a}

+% \def\copyrighth@lder{SF} % Shinsaku Fujita

+% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%

+% \def\j@urnalname{ccycle}

+% \def\versi@ndate{October 31, 1998}

+% \def\versi@nno{ver1.02}

+% \def\copyrighth@lder{SF} % Shinsaku Fujita

+% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%

+%

+% \fi

+%

+% \CheckSum{3793}

+%% \CharacterTable

+%%  {Upper-case    \A\B\C\D\E\F\G\H\I\J\K\L\M\N\O\P\Q\R\S\T\U\V\W\X\Y\Z

+%%   Lower-case    \a\b\c\d\e\f\g\h\i\j\k\l\m\n\o\p\q\r\s\t\u\v\w\x\y\z

+%%   Digits        \0\1\2\3\4\5\6\7\8\9

+%%   Exclamation   \!     Double quote  \"     Hash (number) \#

+%%   Dollar        \$     Percent       \%     Ampersand     \&

+%%   Acute accent  \'     Left paren    \(     Right paren   \)

+%%   Asterisk      \*     Plus          \+     Comma         \,

+%%   Minus         \-     Point         \.     Solidus       \/

+%%   Colon         \:     Semicolon     \;     Less than     \<

+%%   Equals        \=     Greater than  \>     Question mark \?

+%%   Commercial at \@     Left bracket  \[     Backslash     \\

+%%   Right bracket \]     Circumflex    \^     Underscore    \_

+%%   Grave accent  \`     Left brace    \{     Vertical bar  \|

+%%   Right brace   \}     Tilde         \~}

+%

+% \setcounter{StandardModuleDepth}{1}

+%

+% \StopEventually{}

+% \MakeShortVerb{\|}

+%

+% \iffalse

+% \changes{v1.01a}{1996/06/17}{first edition for LaTeX2e}

+% \changes{v1.02}{1998/10/31}{revised edition for LaTeX2e}

+% \changes{v2.00}{1998/12/25}{enhanced edition for LaTeX2e}

+% \fi

+%

+% \iffalse

+%<*driver>

+\NeedsTeXFormat{pLaTeX2e}

+% \fi

+\ProvidesFile{ccycle.dtx}[1998/12/25 v2.00 XyMTeX{} package file]

+% \iffalse

+\documentclass{ltxdoc}

+\GetFileInfo{ccycle.dtx}

+%

+% %%XyMTeX Logo: Definition 2%%%

+\def\UPSILON{\char'7}

+\def\XyM{X\kern-.30em\smash{%

+\raise.50ex\hbox{\UPSILON}}\kern-.30em{M}}

+\def\XyMTeX{\XyM\kern-.1em\TeX}

+% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%

+\title{Further Cyclic Compounds by {\sffamily ccycle.sty} 

+(\fileversion) of \XyMTeX{}}

+\author{Shinsaku Fujita \\ 

+Department of Chemistry and Materials Technology, \\

+Kyoto Institute of Technology, \\

+Matsugasaki, Sakyoku, Kyoto, 606 Japan

+% % (old address)

+% % Ashigara Research Laboratories, 

+% % Fuji Photo Film Co., Ltd., \\ 

+% % Minami-Ashigara, Kanagawa, 250-01 Japan

+}

+\date{\filedate}

+%

+\begin{document}

+   \maketitle

+   \DocInput{ccycle.dtx}

+\end{document}

+%</driver>

+% \fi

+%

+% \section{Introduction}\label{ccycle:intro}

+%

+% \subsection{Options for {\sffamily docstrip}}

+%

+% \DeleteShortVerb{\|}

+% \begin{center}

+% \begin{tabular}{|l|l|}

+% \hline

+% \emph{option} & \emph{function}\\ \hline

+% ccycle & ccycle.sty \\

+% driver & driver for this dtx file \\

+% \hline

+% \end{tabular}

+% \end{center}

+% \MakeShortVerb{\|}

+%

+% \subsection{Version Information}

+%

+%    \begin{macrocode}

+%<*ccycle>

+\typeout{XyMTeX for Drawing Chemical Structural Formulas. Version 2.00}

+\typeout{       -- Released December 25, 1998 by Shinsaku Fujita}

+% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%

+\def\j@urnalname{ccycle}

+\def\versi@ndate{December 25, 1998}

+\def\versi@nno{ver2.00}

+\def\copyrighth@lder{SF} % Shinsaku Fujita

+% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%

+\typeout{XyMTeX Macro File `\j@urnalname' (\versi@nno) <\versi@ndate>%

+\space[\copyrighth@lder]}

+%    \end{macrocode}

+%

+% \section{List of commands for ccycle.sty}

+%

+% \begin{verbatim}

+% ********************************

+% * ccycle.sty: list of commands *

+% ********************************

+%

+%  Setting of Bonds

+%

+%     \@chaira (for cyclohexane chair)

+%     \@chairb

+%     \@chairc

+%     \@chaird

+%     \@chaire

+%     \@chairf

+%

+%     \@borna (for bornanes)

+%     \@bornb

+%     \@bornc

+%     \@bornd

+%     \@borne

+%     \@bornf

+%     \@borng

+%

+%  Basic Macros

+%

+%     \chair                     \@chair

+%     \bicychepv                 \@bicychepv

+%     \bicycheph                 \@bicycheph

+%     \bornane                   \@bornane

+%     \adamantane                \@damantane

+%

+%  (Added March 05, 1994 by Shinsaku Fujita)

+%  Setting of Bonds

+%

+%     \@chairia (for cyclohexane chair inversed)

+%     \@chairib  \@chairic  \@chairid

+%     \@chairie  \@chairif

+%

+%  Basic Macros

+%

+%     \chairi                     \@chairi

+% 

+%  (Added June 16, 1996 by Shinsaku Fujita)

+%  Setting of Bonds

+%

+%     \@chairiI (for horizontal-type adamantane)

+%     \@chairiII    \@chairiIII    \@chairiIV

+%     \@chairiV     \@chairiVI     \@chairiVII

+%     \@chairiVIII  \@chairiIX     \@chairiX

+%     

+%  Basic Macros

+%

+%     \hadamantane                \@hadamantane

+%

+%  Macros for adjusting substitution sites (for Version 1.02)

+%

+%     \ylchairposition

+%     \ylchairiposition

+%     \ylbornaneposition

+%     \yladamanposition

+%     \ylhadamanposition

+%

+% \end{verbatim}

+%

+% \section{Input of basic macros}

+%

+% To assure the compatibility to \LaTeX{}2.09 (the native mode), 

+% the commands added by \LaTeXe{} have not been used in the resulting sty 

+% files ({\sf ccycle.sty} for the present case).  Hence, the combination 

+% of |\input| and |\@ifundefined| is used to crossload sty 

+% files ({\sf chemstr.sty} for the present case) in place of the 

+% |\RequirePackage| command of \LaTeXe{}. 

+%

+%    \begin{macrocode}

+% *************************

+% * input of basic macros *

+% *************************

+\@ifundefined{setsixringv}{\input chemstr.sty\relax}{}

+\unitlength=0.1pt

+%    \end{macrocode}

+%

+% \section{Chair-form cyclohexanes}

+% \subsection{Macros for setting substituents}

+% 

+% Macros |\@chaira| to |\@chairf| are used to set substituents 

+% on each position of cyclohexane. Note that comments (conerning locant 

+% numbers) on the end of each row have lost the exact meaning, 

+% since such a command moiety is used in many macros after copying. 

+%

+% \begin{macro}{\@chaira}

+% \changes{v1.02}{1998/10/31}{Adding \cs{yl@xdiff} and \cs{yl@ydiff}}
+%    \begin{macrocode}

+% **********************************************

+% * treatment of the chair form of cyclohexane *

+% **********************************************

+% %%%%%%%%%%%%%%%

+% % subst. on 1 %

+% %%%%%%%%%%%%%%%

+\def\@chaira{%

+   \if\@tmpb S%single bond

+    \ifx\@tmpc\empty%

+     \yl@xdiff=10

+     \yl@ydiff=10

+           \put(0,0){\line(-1,1){120}}% single bond at 1

+           \putlatom{-130}{110}{\@memberb}% left type

+    \else\if\@tmpc a%(a) axial

+     \yl@xdiff=42

+     \yl@ydiff=-12

+           \put(0,0){\line(0,1){168}}% single bond at 1 axial

+           \putlratom{-42}{180}{\@memberb}% left & right type

+    \else\if\@tmpc e%(e) beta

+     \yl@xdiff=16

+     \yl@ydiff=44

+           \put(0,0){\line(-5,-3){144}}% single bond at 1 equatorial

+           \putlatom{-160}{-130}{\@memberb}% left type

+    \fi\fi\fi%

+   \else \if\@tmpb D%double bond

+     \yl@xdiff=10

+     \yl@ydiff=10

+           \put(-10,-10){\line(-1,1){120}}% double bond at 1

+           \put(10,10){\line(-1,1){120}}% double bond at 1

+           \putlatom{-130}{110}{\@memberb}% left type

+          \else%

+     \yl@xdiff=10

+     \yl@ydiff=10

+           \put(0,0){\line(-1,1){120}}% single bond at 1

+           \putlatom{-130}{110}{\@memberb}% left type

+   \fi\fi}%

+%    \end{macrocode}

+% \end{macro}

+%

+% \begin{macro}{\@chairb}

+% \changes{v1.02}{1998/10/31}{Adding \cs{yl@xdiff} and \cs{yl@ydiff}}
+%    \begin{macrocode}

+% %%%%%%%%%%%%%%%

+% % subst. on 2 %

+% %%%%%%%%%%%%%%%

+\def\@chairb{%

+   \if\@tmpb S%single bond

+    \ifx\@tmpc\empty%

+     \yl@xdiff=10

+     \yl@ydiff=70

+           \put(170,-226){\line(-1,-1){120}}% single bond at 2

+           \putlatom{40}{-416}{\@memberb}% left type

+    \else\if\@tmpc a%(a) axial

+     \yl@xdiff=32

+     \yl@ydiff=92

+           \put(170,-226){\line(0,-1){168}}% single bond at 2 axial

+           \putlratom{138}{-486}{\@memberb}% left & right type

+    \else\if\@tmpc e%(e) beta

+     \yl@xdiff=16

+     \yl@ydiff=34

+           \put(170,-226){\line(-5,3){144}}% single bond at 2 equatorial

+           \putlatom{10}{-174}{\@memberb}% left type

+    \fi\fi\fi%

+   \else \if\@tmpb D%double bond

+     \yl@xdiff=10

+     \yl@ydiff=70

+           \put(160,-216){\line(-1,-1){120}}% double bond at 2

+           \put(180,-236){\line(-1,-1){120}}% double bond at 2

+           \putlatom{40}{-416}{\@memberb}% left type

+          \else%

+     \yl@xdiff=10

+     \yl@ydiff=70

+           \put(170,-226){\line(-1,-1){120}}% single bond at 2

+           \putlatom{40}{-416}{\@memberb}% left type

+   \fi\fi}%

+%    \end{macrocode}

+% \end{macro}

+%

+% \begin{macro}{\@chairc}

+% \changes{v1.02}{1998/10/31}{Adding \cs{yl@xdiff} and \cs{yl@ydiff}}
+%    \begin{macrocode}

+% %%%%%%%%%%%%%%%

+% % subst. on 3 %

+% %%%%%%%%%%%%%%%

+\def\@chairc{%

+   \if\@tmpb S%single bond

+    \ifx\@tmpc\empty%

+     \yl@xdiff=-10

+     \yl@ydiff=24

+           \put(573,-91){\line(5,4){170}}% single bond at 3

+           \putratom{753}{21}{\@memberb}% right type

+    \else\if\@tmpc a%(a) axial

+     \yl@xdiff=40

+     \yl@ydiff=-24

+           \put(573,-91){\line(0,1){168}}% single bond at 3 axial

+           \putlratom{533}{101}{\@memberb}% left type

+    \else\if\@tmpc e%(e) beta

+     \yl@xdiff=-36

+     \yl@ydiff=83

+           \put(573,-91){\line(5,-3){144}}% single bond at 3 equatorial

+           \putlatom{753}{-260}{\@memberb}% left type

+    \fi\fi\fi%

+   \else \if\@tmpb D%double bond

+     \yl@xdiff=0

+     \yl@ydiff=0

+           \put(563,-83){\line(5,4){170}}% double bond at 3

+           \put(583,-99){\line(5,4){170}}% double bond at 3

+           \putratom{733}{41}{\@memberb}% right type

+          \else%

+     \yl@xdiff=-10

+     \yl@ydiff=24

+           \put(573,-91){\line(5,4){170}}% single bond at 3

+           \putratom{753}{21}{\@memberb}% right type

+   \fi\fi}%

+%    \end{macrocode}

+% \end{macro}

+%

+% \begin{macro}{\@chaird}

+% \changes{v1.02}{1998/10/31}{Adding \cs{yl@xdiff} and \cs{yl@ydiff}}
+%    \begin{macrocode}

+% %%%%%%%%%%%%%%%

+% % subst. on 4 %

+% %%%%%%%%%%%%%%%

+\def\@chaird{%

+   \if\@tmpb S%single bond

+    \ifx\@tmpc\empty%

+     \yl@xdiff=10

+     \yl@ydiff=70

+           \put(843,-181){\line(1,-1){120}}% single bond at 4

+           \putratom{953}{-371}{\@memberb}% right type

+    \else\if\@tmpc a%(a) axial

+     \yl@xdiff=42

+     \yl@ydiff=91

+           \put(843,-181){\line(0,-1){168}}% single bond at 4 axial

+           \putlratom{801}{-440}{\@memberb}% left & right type

+    \else\if\@tmpc e%(e) beta

+     \yl@xdiff=-16

+     \yl@ydiff=16

+           \put(843,-181){\line(5,3){144}}% single bond at 4 equatorial

+           \putratom{1003}{-111}{\@memberb}% right type

+    \fi\fi\fi%

+   \else \if\@tmpb D%double bond

+     \yl@xdiff=10

+     \yl@ydiff=70

+           \put(833,-191){\line(1,-1){120}}% double bond at 4

+           \put(853,-171){\line(1,-1){120}}% double bond at 4

+           \putratom{953}{-371}{\@memberb}% right type

+          \else%

+     \yl@xdiff=10

+     \yl@ydiff=70

+           \put(843,-181){\line(1,-1){120}}% single bond at 4

+           \putratom{953}{-371}{\@memberb}% right type

+   \fi\fi}%

+%    \end{macrocode}

+% \end{macro}

+%

+% \begin{macro}{\@chaire}

+% \changes{v1.02}{1998/10/31}{Adding \cs{yl@xdiff} and \cs{yl@ydiff}}
+%    \begin{macrocode}

+% %%%%%%%%%%%%%%%

+% % subst. on 5 %

+% %%%%%%%%%%%%%%%

+\def\@chaire{%

+   \if\@tmpb S%single bond

+    \ifx\@tmpc\empty%

+     \yl@xdiff=-10

+     \yl@ydiff=10

+           \put(673,46){\line(1,1){120}}% single bond at 5

+           \putratom{803}{158}{\@memberb}% right type

+    \else\if\@tmpc a%(a) axial

+     \yl@xdiff=40

+     \yl@ydiff=-24

+           \put(673,46){\line(0,1){168}}% single bond at 5 axial

+           \putlratom{633}{238}{\@memberb}% left & right type

+    \else\if\@tmpc e%(e) beta

+     \yl@xdiff=-6

+     \yl@ydiff=63

+           \put(673,46){\line(5,-3){144}}% single bond at 5 equatorial

+           \putratom{823}{-103}{\@memberb}% right type

+    \fi\fi\fi%

+   \else \if\@tmpb D%double bond

+     \yl@xdiff=-10

+     \yl@ydiff=10

+           \put(663,53){\line(1,1){120}}% double bond at 5

+           \put(683,38){\line(1,1){120}}% double bond at 5

+           \putratom{803}{158}{\@memberb}%  right type

+          \else%

+     \yl@xdiff=-10

+     \yl@ydiff=24

+           \put(673,46){\line(5,4){170}}% single bond at 5

+           \putratom{853}{158}{\@memberb}% right type

+   \fi\fi}%

+%    \end{macrocode}

+% \end{macro}

+%

+% \begin{macro}{\@chairf}

+% \changes{v1.02}{1998/10/31}{Adding \cs{yl@xdiff} and \cs{yl@ydiff}}
+%    \begin{macrocode}

+% %%%%%%%%%%%%%%%

+% % subst. on 6 %

+% %%%%%%%%%%%%%%%

+\def\@chairf{%

+   \if\@tmpb S%single bond

+    \ifx\@tmpc\empty%

+     \yl@xdiff=0

+     \yl@ydiff=54

+           \put(270,-90){\line(-5,-4){170}}% single bond at 2

+           \putlatom{100}{-280}{\@memberb}% left type

+    \else\if\@tmpc a%(a) axial

+     \yl@xdiff=32

+     \yl@ydiff=92

+           \put(270,-90){\line(0,-1){168}}% single bond at 2 axial

+           \putlratom{238}{-350}{\@memberb}% left type

+    \else\if\@tmpc e%(e) beta

+     \yl@xdiff=26

+     \yl@ydiff=-14

+           \put(270,-90){\line(-5,3){144}}% single bond at 2 equatorial

+           \putratom{100}{18}{\@memberb}% left type

+    \fi\fi\fi%

+   \else \if\@tmpb D%double bond

+     \yl@xdiff=0

+     \yl@ydiff=54

+           \put(260,-80){\line(-5,-4){170}}% double bond at 2

+           \put(280,-100){\line(-5,-4){170}}% double bond at 2

+           \putlatom{100}{-280}{\@memberb}% left or right type

+          \else%

+     \yl@xdiff=0

+     \yl@ydiff=54

+           \put(270,-90){\line(-5,-4){170}}% single bond at 2

+           \putlatom{100}{-280}{\@memberb}% left type

+   \fi\fi}%

+%    \end{macrocode}

+% \end{macro}

+%

+% \subsection{Drawing of Chair-form cyclohexanes}

+% 

+% The standard skeleton of a chair form of cyclohexane is selected 

+% to have the following locant numbers. 

+%

+% \begin{verbatim}

+% ***************************

+% * cyclohexane derivatives *

+% *  (chair type)           *

+% ***************************

+% The following numbering is adopted in this macro. 

+%

+%                 5 

+%              /  3  *

+%     1  *  6  /    *  4

+%        *  2 

+%

+% \end{verbatim}

+%

+% The macro |\chair| has an argument |SUBSLIST| as well as an optional 

+% argument |BONDLIST|.  

+%

+% \begin{verbatim}

+%   \chair[BONDLIST]{SUBSLIST}

+% \end{verbatim}

+%

+% The |BONDLIST| argument contains one or more 

+% characters selected from a to f, each of which indicates the presence of 

+% an inner (endcyclic) double bond on the corresponding position. 

+% \begin{verbatim}

+%

+%     BONDLIST = 

+%

+%           none       :  cyclohexane

+%           a          :  1,2-double bond

+%           b          :  2,3-double bond

+%           c          :  4,3-double bond

+%           d          :  4,5-double bond

+%           e          :  5,6-double bond

+%           f          :  6,1-double bond

+% \end{verbatim}

+%

+% The |SUBSLIST| argument contains one or more substitution descriptors 

+% which are separated from each other by a semicolon.  Each substitution 

+% descriptor has a locant number with a bond modifier and a substituent, 

+% where these are separated with a double equality symbol. 

+% \begin{verbatim}

+%

+%     SUBSLIST: list of substituents (max 12 substitution positions)

+%

+%       for n = 1 to 6 

+%

+%           nD         :  exocyclic double bond at n-atom

+%           nSa        :  axial single bond at n-atom

+%           nSe        :  equatorial single bond at n-atom

+%

+% \end{verbatim}

+%

+% Several examples are shown as follows.

+%

+% \begin{verbatim}

+%        \chair{1==Cl;2==F}

+%        \chair[a]{1==Cl;4==F;2==CH$_{3}$}

+%        \chair[eb]{1D==O;4Se==MeO;4Sa==OMe;5==Cl;6==Cl}

+% \end{verbatim}

+%

+% The definition of |\@chair| uses a picture environment, in which 

+% bonds are put directly, while subsituents are typset by using 

+% the macros |\@chaira| to |\@chairf| described above.  

+% \changes{v1.02}{1998/10/31}{Adding \cs{ylchairposition}, \cs{if@ylsw},

+% \cs{yl@shifti}, \cs{@ylii}, \cs{yl@shiftii}, \cs{@ylii}, 

+% \cs{yl@xdiff} and \cs{yl@ydiff}}

+%

+% \begin{macro}{\@chair}

+% \begin{macro}{\chair}

+%    \begin{macrocode}

+\def\chair{\@ifnextchar[{\@chair}{\@chair[r]}}

+\def\@chair[#1]#2{%

+\@reset@ylsw%

+\ylchairposition{#2}%

+\def\@@ylii{0}\def\@@yli{0}%

+\if@ylsw

+ \yl@shiftii=\@ylii

+ \yl@shifti=\@yli

+ \advance\yl@shiftii\@@ylii

+ \advance\yl@shifti\@@yli

+ \advance\yl@shiftii\yl@xdiff

+ \advance\yl@shifti\yl@ydiff

+ \begin{picture}(0,0)(-\yl@shiftii,-\yl@shifti)

+\else

+ \begin{picture}(1600,800)(-400,-500)

+  \iforigpt \put(-400,-500){\circle*{50}}%

+           \put(0,0){\circle{50}}% 

+   \typeout{command `chair' origin: (0,0) ---> (400,500)}

+  \fi%

+\fi

+%skeletal bonds

+   \thicklines%

+      \put(0,0){\line(3,-4){170}}%          % bond 1 to 2

+      \put(170,-226){\line(3,1){403}}%      %      2 to 3

+      \put(573,-91){\line(3,-1){270}}%      %      3 to 4

+   \thinlines%

+      \put(843,-181){\line(-3,4){170}}%     %      4 to 5

+      \put(673,46){\line(-3,-1){403}}%      %      5 to 6

+      \put(0,0){\line(3,-1){270}}%          %      1 to 6

+% inner double bonds

+\@tfor\member:=#1\do{%

+\if\member r%no endcyclic bonds

+\else \if\member a%

+      \put(76,-42){\line(3,-4){110}}%       % double bond 1 to 2

+\else \if\member b%

+      \put(200,-186){\line(3,1){343}}%      %             2 to 3

+\else \if\member c%

+      \put(603,-70){\line(3,-1){190}}%      %             3 to 4

+\else \if\member d%

+      \put(780,-141){\line(-3,4){110}}%     %             4 to 5

+\else \if\member e%

+      \put(661,6){\line(-3,-1){343}}%       %             5 to 6

+\else \if\member f%

+      \put(75,-50){\line(3,-1){170}}%       %             1 to 6

+\fi\fi\fi\fi\fi\fi\fi}%

+% setting substituents

+\@forsemicol\member:=#2\do{%

+\ifx\member\empty\else

+\expandafter\@m@mb@r\member;\relax%

+\expandafter\threech@r\@membera{}{}%

+\ifx\@memberb\@yl\else

+\ifcase\@tmpa%0 omit

+ \or\@chaira% subst. on 1

+ \or\@chairb% subst. on 2

+ \or\@chairc% subst. on 3

+ \or\@chaird% subst. on 4

+ \or\@chaire% subst. on 5

+ \or\@chairf% subst. on 6

+\fi%end of ifcase

+\fi\fi%

+}\end{picture}}%               %end of \chair macro

+%    \end{macrocode}

+% \end{macro}

+% \end{macro}

+%

+% The command |\ylchairposition| is to obtain the shift values 

+% |\@ylii| and |\@yli| which are used for shifting the standard 

+% point of a substituent. 

+% \changes{v1.02}{1998/10/23}{New ommands for setting substituents}
+%

+% \begin{macro}{\ylchairposition}

+%    \begin{macrocode}

+\def\ylchairposition#1{%

+\@@ylswfalse%%%\@reset@ylsw

+\@forsemicol\member:=#1\do{%

+\if@@ylsw\else

+\ifx\member\empty\else

+\expandafter\@m@mb@r\member;\relax

+\expandafter\threech@r\@membera{}{}\relax

+\ifx\@memberb\@yl\relax\@@ylswtrue\else\@@ylswfalse\fi

+\if@@ylsw

+\ifcase\@tmpa%0 omit

+ \or\gdef\@ylii{0}\gdef\@yli{0}\global\@ylswtrue% subst. on 1

+ \or\gdef\@ylii{-170}\gdef\@yli{226}\global\@ylswtrue% subst. on 2

+ \or\gdef\@ylii{-573}\gdef\@yli{91}\global\@ylswtrue% subst. on 3

+ \or\gdef\@ylii{-843}\gdef\@yli{181}\global\@ylswtrue% subst. on 4

+ \or\gdef\@ylii{-673}\gdef\@yli{-46}\global\@ylswtrue% subst. on 5

+ \or\gdef\@ylii{-270}\gdef\@yli{90}\global\@ylswtrue% subst. on 6

+\fi%end of ifcase

+\fi\fi\fi}}%

+%    \end{macrocode}

+% \end{macro}

+%

+% \section{Inverse chair-form cyclohexanes}

+% \subsection{Macros for setting substituents}

+% 

+% Macros |\@chairia| to |\@chairif| are used to set substituents 

+% on each position of cyclohexane.  Note that they corresopond to 

+% the counterparts of chair-form cyclohexanes described above. 

+%

+% \begin{macro}{\@chairia}

+% \changes{v1.02}{1998/10/31}{Adding \cs{yl@xdiff} and \cs{yl@ydiff}}
+%    \begin{macrocode}

+% ********************************************************

+% * treatment of the chair form (inverse) of cyclohexane *

+% *  added March 05, 1994 by Shinsaku Fujita             *

+% ********************************************************

+% %%%%%%%%%%%%%%%

+% % subst. on 1 %

+% %%%%%%%%%%%%%%%

+\def\@chairia{%

+   \if\@tmpb S%single bond

+    \ifx\@tmpc\empty%

+     \yl@xdiff=10

+     \yl@ydiff=90

+           \put(0,0){\line(-1,-1){120}}% single bond at 1

+           \putlatom{-130}{-210}{\@memberb}% left type

+    \else\if\@tmpc a%(a) axial

+     \yl@xdiff=42

+     \yl@ydiff=92

+           \put(0,0){\line(0,-1){168}}% single bond at 1 axial

+           \putlratom{-42}{-260}{\@memberb}% left & right type

+    \else\if\@tmpc e%(e) beta

+     \yl@xdiff=16

+     \yl@ydiff=36

+           \put(0,0){\line(-5,3){144}}% single bond at 1 equatorial

+           \putlatom{-160}{50}{\@memberb}% left type

+    \fi\fi\fi%

+   \else \if\@tmpb D%double bond

+     \yl@xdiff=10

+     \yl@ydiff=90

+           \put(-10,10){\line(-1,-1){120}}% double bond at 1

+           \put(10,-10){\line(-1,-1){120}}% double bond at 1

+           \putlatom{-130}{-210}{\@memberb}% left type

+          \else%

+     \yl@xdiff=10

+     \yl@ydiff=90

+           \put(0,0){\line(-1,-1){120}}% single bond at 1

+           \putlatom{-130}{-210}{\@memberb}% left type

+   \fi\fi}%

+%    \end{macrocode}

+% \end{macro}

+%

+% \begin{macro}{\@chairif}

+% \changes{v1.02}{1998/10/31}{Adding \cs{yl@xdiff} and \cs{yl@ydiff}}
+%    \begin{macrocode}

+% %%%%%%%%%%%%%%%

+% % subst. on 6 %

+% %%%%%%%%%%%%%%%

+\def\@chairif{%

+   \if\@tmpb S%single bond

+    \ifx\@tmpc\empty%

+     \yl@xdiff=10

+     \yl@ydiff=30

+           \put(170,226){\line(-1,1){120}}% single bond at 6

+           \putratom{40}{316}{\@memberb}% left type

+    \else\if\@tmpc a%(a) axial

+     \yl@xdiff=32

+     \yl@ydiff=-12

+           \put(170,226){\line(0,1){168}}% single bond at 6 axial

+           \putlratom{138}{406}{\@memberb}% left & right type

+    \else\if\@tmpc e%(e) beta

+     \yl@xdiff=16

+     \yl@ydiff=46

+           \put(170,226){\line(-5,-3){144}}% single bond at 6 equatorial

+           \putlatom{10}{94}{\@memberb}% left type

+    \fi\fi\fi%

+   \else \if\@tmpb D%double bond

+     \yl@xdiff=10

+     \yl@ydiff=30

+           \put(160,216){\line(-1,1){120}}% double bond at 6

+           \put(180,236){\line(-1,1){120}}% double bond at 6

+           \putlatom{40}{316}{\@memberb}% left type

+          \else%

+     \yl@xdiff=10

+     \yl@ydiff=30

+           \put(170,226){\line(-1,1){120}}% single bond at 6

+           \putlatom{40}{316}{\@memberb}% left type

+   \fi\fi}%

+%    \end{macrocode}

+% \end{macro}

+%

+% \begin{macro}{\@chairie}

+% \changes{v1.02}{1998/10/31}{Adding \cs{yl@xdiff} and \cs{yl@ydiff}}
+%    \begin{macrocode}

+% %%%%%%%%%%%%%%%

+% % subst. on 5 %

+% %%%%%%%%%%%%%%%

+\def\@chairie{%

+   \if\@tmpb S%single bond

+    \ifx\@tmpc\empty%

+     \yl@xdiff=-10

+     \yl@ydiff=76

+           \put(573,91){\line(5,-4){170}}% single bond at 5

+           \putratom{753}{-101}{\@memberb}% right type

+    \else\if\@tmpc a%(a) axial

+     \yl@xdiff=40

+     \yl@ydiff=104

+           \put(573,91){\line(0,-1){168}}% single bond at 5 axial

+           \putlratom{533}{-181}{\@memberb}% left type

+    \else\if\@tmpc e%(e) beta

+     \yl@xdiff=-36

+     \yl@ydiff=3

+           \put(573,91){\line(5,3){144}}% single bond at 5 equatorial

+           \putlatom{753}{180}{\@memberb}% left type

+    \fi\fi\fi%

+   \else \if\@tmpb D%double bond

+     \yl@xdiff=-10

+     \yl@ydiff=96

+           \put(563,83){\line(5,-4){170}}% double bond at 5

+           \put(583,99){\line(5,-4){170}}% double bond at 5

+           \putratom{733}{-141}{\@memberb}% right type

+          \else%

+     \yl@xdiff=-10

+     \yl@ydiff=76

+           \put(573,91){\line(5,-4){170}}% single bond at 5

+           \putratom{753}{-121}{\@memberb}% right type

+   \fi\fi}%

+%    \end{macrocode}

+% \end{macro}

+%

+% \begin{macro}{\@chairid}

+% \changes{v1.02}{1998/10/31}{Adding \cs{yl@xdiff} and \cs{yl@ydiff}}
+%    \begin{macrocode}

+% %%%%%%%%%%%%%%%

+% % subst. on 4 %

+% %%%%%%%%%%%%%%%

+\def\@chairid{%

+   \if\@tmpb S%single bond

+    \ifx\@tmpc\empty%

+     \yl@xdiff=10

+     \yl@ydiff=30

+           \put(843,181){\line(1,1){120}}% single bond at 4

+           \putratom{953}{271}{\@memberb}% right type

+    \else\if\@tmpc a%(a) axial

+     \yl@xdiff=42

+     \yl@ydiff=-11

+           \put(843,181){\line(0,1){168}}% single bond at 4 axial

+           \putlratom{801}{360}{\@memberb}% left & right type

+    \else\if\@tmpc e%(e) beta

+     \yl@xdiff=-16

+     \yl@ydiff=64

+           \put(843,181){\line(5,-3){144}}% single bond at 4 equatorial

+           \putratom{1003}{31}{\@memberb}% right type

+    \fi\fi\fi%

+   \else \if\@tmpb D%double bond

+     \yl@xdiff=10

+     \yl@ydiff=30

+           \put(833,191){\line(1,1){120}}% double bond at 4

+           \put(853,171){\line(1,1){120}}% double bond at 4

+           \putratom{953}{271}{\@memberb}% right type

+          \else%

+     \yl@xdiff=10

+     \yl@ydiff=30

+           \put(843,181){\line(1,1){120}}% single bond at 4

+           \putratom{953}{271}{\@memberb}% right type

+   \fi\fi}%

+%    \end{macrocode}

+% \end{macro}

+%

+% \begin{macro}{\@chairic}

+% \changes{v1.02}{1998/10/31}{Adding \cs{yl@xdiff} and \cs{yl@ydiff}}
+%    \begin{macrocode}

+% %%%%%%%%%%%%%%%

+% % subst. on 3 %

+% %%%%%%%%%%%%%%%

+\def\@chairic{%

+   \if\@tmpb S%single bond

+    \ifx\@tmpc\empty%

+     \yl@xdiff=-10

+     \yl@ydiff=92

+           \put(673,-46){\line(1,-1){120}}% single bond at 3

+           \putratom{803}{-258}{\@memberb}% right type

+    \else\if\@tmpc a%(a) axial

+     \yl@xdiff=40

+     \yl@ydiff=110

+           \put(673,-46){\line(0,-1){168}}% single bond at 3 axial

+           \putlratom{633}{-318}{\@memberb}% left & right type

+    \else\if\@tmpc e%(e) beta

+     \yl@xdiff=-6

+     \yl@ydiff=17

+           \put(673,-46){\line(5,3){144}}% single bond at 3 equatorial

+           \putratom{823}{23}{\@memberb}% right type

+    \fi\fi\fi%

+   \else \if\@tmpb D%double bond

+     \yl@xdiff=-5

+     \yl@ydiff=96

+           \put(663,-53){\line(1,-1){120}}% double bond at 3

+           \put(683,-38){\line(1,-1){120}}% double bond at 3

+           \putratom{803}{-258}{\@memberb}%  right type

+          \else%

+     \yl@xdiff=-10

+     \yl@ydiff=76

+           \put(673,-46){\line(5,-4){170}}% single bond at 3

+           \putratom{853}{-258}{\@memberb}% right type

+   \fi\fi}%

+%    \end{macrocode}

+% \end{macro}

+%

+% \begin{macro}{\@chairib}

+% \changes{v1.02}{1998/10/31}{Adding \cs{yl@xdiff} and \cs{yl@ydiff}}
+%    \begin{macrocode}

+% %%%%%%%%%%%%%%%

+% % subst. on 2 %

+% %%%%%%%%%%%%%%%

+\def\@chairib{%

+   \if\@tmpb S%single bond

+    \ifx\@tmpc\empty%

+     \yl@xdiff=0

+     \yl@ydiff=46

+           \put(270,90){\line(-5,4){170}}% single bond at 2

+           \putlatom{100}{180}{\@memberb}% left type

+    \else\if\@tmpc a%(a) axial

+     \yl@xdiff=32

+     \yl@ydiff=-12

+           \put(270,90){\line(0,1){168}}% single bond at 2 axial

+           \putlratom{238}{270}{\@memberb}% left type

+    \else\if\@tmpc e%(e) beta

+     \yl@xdiff=26

+     \yl@ydiff=94

+           \put(270,90){\line(-5,-3){144}}% single bond at 2 equatorial

+           \putratom{100}{-98}{\@memberb}% left type

+    \fi\fi\fi%

+   \else \if\@tmpb D%double bond

+     \yl@xdiff=0

+     \yl@ydiff=26

+           \put(260,80){\line(-5,4){170}}% double bond at 2

+           \put(280,100){\line(-5,4){170}}% double bond at 2

+           \putlatom{100}{200}{\@memberb}% left or right type

+          \else%

+     \yl@xdiff=0

+     \yl@ydiff=26

+           \put(270,90){\line(-5,4){170}}% single bond at 2

+           \putlatom{100}{200}{\@memberb}% left type

+   \fi\fi}%

+%    \end{macrocode}

+% \end{macro}

+%

+% \subsection{Drawing of inverse chair-form cyclohexanes}

+% 

+% The standard skeleton of an inverse chair form of cyclohexane is selected 

+% to have the following locant numbers. 

+%

+% \begin{verbatim}

+% ***************************

+% * cyclohexane derivatives *

+% *  (inverse chair type)   *

+% ***************************

+% The following numbering is adopted in this macro. 

+%

+%          6            4

+%       *      `  5  *

+%     1  *  2        *

+%              `  3

+%

+% \end{verbatim}

+%

+% The macro |\chairi| has an argument |SUBSLIST| as well as an optional 

+% argument |BONDLIST|.  

+%

+% \begin{verbatim}

+%   \chairi[BONDLIST]{SUBSLIST}          

+% \end{verbatim}

+%

+% The |BONDLIST| argument contains one or more 

+% characters selected from a to f, each of which indicates the presence of 

+% an inner (endcyclic) double bond on the corresponding position. 

+% \begin{verbatim}

+%     BONDLIST = 

+%

+%           none       :  cyclohexane

+%           a          :  1,2-double bond

+%           b          :  2,3-double bond

+%           c          :  4,3-double bond

+%           d          :  4,5-double bond

+%           e          :  5,6-double bond

+%           f          :  6,1-double bond

+% \end{verbatim}

+%

+% The |SUBSLIST| argument contains one or more substitution descriptors 

+% which are separated from each other by a semicolon.  Each substitution 

+% descriptor has a locant number with a bond modifier and a substituent, 

+% where these are separated with a double equality symbol. 

+% \begin{verbatim}

+%

+%     SUBSLIST: list of substituents (max 8 substitution positions)

+%

+%       for n = 1 to 6 

+%

+%           nD         :  exocyclic double bond at n-atom

+%           nSa        :  axial single bond at n-atom

+%           nSe        :  equatorial single bond at n-atom

+%

+% \end{verbatim}

+%

+% Several examples are shown as follows.

+%

+% \begin{verbatim}

+%       e.g. 

+%        

+%        \chairi[eb]{1D==O;4Se==MeO;4Sa==OMe;5==Cl;6==Cl}

+% \end{verbatim}

+%

+% The definition of |\@chairi| uses a picture environment, in which 

+% bonds are put directly, while subsituents are typset by using 

+% the macros |\@chairia| to |\@chairif| described above.  

+% \changes{v1.02}{1998/10/31}{Adding \cs{ylchairiposition}, \cs{if@ylsw},

+% \cs{yl@shifti}, \cs{@ylii}, \cs{yl@shiftii}, \cs{@ylii}, 

+% \cs{yl@xdiff} and \cs{yl@ydiff}}

+%

+% \begin{macro}{\@chairi}

+% \begin{macro}{\chairi}

+%    \begin{macrocode}

+\def\chairi{\@ifnextchar[{\@chairi}{\@chairi[r]}}

+\def\@chairi[#1]#2{%

+\@reset@ylsw%

+\ylchairiposition{#2}%

+\def\@@ylii{0}\def\@@yli{0}%

+\if@ylsw

+ \yl@shiftii=\@ylii

+ \yl@shifti=\@yli

+ \advance\yl@shiftii\@@ylii

+ \advance\yl@shifti\@@yli

+ \advance\yl@shiftii\yl@xdiff

+ \advance\yl@shifti\yl@ydiff

+ \begin{picture}(0,0)(-\yl@shiftii,-\yl@shifti)

+\else

+ \begin{picture}(1600,800)(-400,-319)

+  \iforigpt \put(-400,-319){\circle*{50}}%

+           \put(0,0){\circle{50}}% 

+   \typeout{command `chairi' origin: (0,0) ---> (400,319)}

+  \fi%

+\fi

+% skeletal bonds

+   \thinlines%

+      \put(0,0){\line(3,4){170}}%         % bond 1 to 6

+      \put(170,226){\line(3,-1){403}}%    %      6 to 5

+      \put(573,91){\line(3,1){270}}%      %      5 to 4

+   \thicklines%

+      \put(843,181){\line(-3,-4){170}}%    %      4 to 3

+      \put(673,-46){\line(-3,1){403}}%     %      3 to 2

+      \put(0,0){\line(3,1){270}}%          %      1 to 2

+   \thinlines%

+% inner double bonds

+\@tfor\member:=#1\do{%

+\if\member r%no endcyclic bonds

+\else \if\member c%%%a%

+       \put(767,139){\line(-3,-4){110}}%   % double bond 3 to 4

+\else \if\member b%%%d%%%b%

+      \put(640,-5){\line(-3,1){343}}%      %             4 to 5

+\else \if\member a%%%e%%%%c%

+       \put(240,111){\line(-3,-1){190}}%   %             5 to 6

+\else \if\member f%%%d%

+      \put(63,40){\line(3,4){110}}%        %             6 to 7

+\else \if\member e%%%l%

+      \put(182,187){\line(3,-1){343}}%     %             7 to 10

+\else \if\member d%%%k%%%f%

+      \put(768,131){\line(-3,-1){170}}%    %             10 to 3

+\fi\fi\fi\fi\fi\fi\fi}%

+% %

+\@forsemicol\member:=#2\do{%

+\ifx\member\empty\else

+\expandafter\@m@mb@r\member;\relax%

+\expandafter\threech@r\@membera{}{}%

+\ifx\@memberb\@yl\else

+\ifcase\@tmpa%0 omit

+ \or \@chairia% subst. on 1

+ \or \@chairib% subst. on 2

+ \or \@chairic% subst. on 3

+ \or \@chairid% subst. on 4

+ \or \@chairie% subst. on 5

+ \or \@chairif% subst. on 6

+\fi %end of ifcase

+\fi\fi%

+}\end{picture}}%               %end of \chairi macro

+% End of addition 1994/03/05 SF

+%    \end{macrocode}

+% \end{macro}

+% \end{macro}

+%

+% The command |\ylchairiposition| is to obtain the shift values 

+% |\@ylii| and |\@yli| which are used for shifting the standard 

+% point of a substituent. 

+% \changes{v1.02}{1998/10/23}{New ommands for setting substituents}
+%

+% \begin{macro}{\ylchairiposition}

+%    \begin{macrocode}

+\def\ylchairiposition#1{%

+\@@ylswfalse%%%\@reset@ylsw

+\@forsemicol\member:=#1\do{%

+\if@@ylsw\else

+\ifx\member\empty\else

+\expandafter\@m@mb@r\member;\relax

+\expandafter\threech@r\@membera{}{}\relax

+\ifx\@memberb\@yl\relax\@@ylswtrue\else\@@ylswfalse\fi

+\if@@ylsw

+\ifcase\@tmpa%0 omit

+ \or\gdef\@ylii{0}\gdef\@yli{0}\global\@ylswtrue% subst. on 1

+ \or\gdef\@ylii{-270}\gdef\@yli{-90}\global\@ylswtrue% subst. on 2

+ \or\gdef\@ylii{-673}\gdef\@yli{46}\global\@ylswtrue% subst. on 3

+ \or\gdef\@ylii{-843}\gdef\@yli{-181}\global\@ylswtrue% subst. on 4

+ \or\gdef\@ylii{-573}\gdef\@yli{-91}\global\@ylswtrue% subst. on 5

+ \or\gdef\@ylii{-170}\gdef\@yli{-226}\global\@ylswtrue% subst. on 6

+\fi%end of ifcase

+\fi\fi\fi}}%

+%    \end{macrocode}

+% \end{macro}

+%

+% \section{Bicycloheptanes}

+% \subsection{Drawing of a flat and vertical type}

+%

+% The flat-and-vertical-type skeleton of bicycloheptanes is selected 

+% to have the following locant numbers. 

+%

+% \begin{verbatim}

+% *************************************

+% * bicyclo[2.2.1]heptane derivatives *

+% *  (flat, vertical type)            *

+% *************************************

+% The following numbering is adopted in this macro. 

+%

+%          1

+%          * 

+%     6  *   *  2

+%       |  7  |

+%       |     |

+%     5  *   *  3

+%          *

+%          4 <===== the original point

+% \end{verbatim}

+%

+% The macro |\bicyclohepv| has an argument |SUBSLIST| as well as an optional 

+% argument |BONDLIST|.  

+%

+% \begin{verbatim}

+%   \bicychepv[BONDLIST]{SUBSLIST} 

+% \end{verbatim}

+%

+% The |BONDLIST| argument contains one or more 

+% characters selected from a to f, each of which indicates the presence of 

+% an inner (endcyclic) double bond on the corresponding position. 

+% In order to put dimethyl subsitutents on the top position (7), 

+% the character `7' is used in the |BONDLIST|.  The delocalization 

+% of $\pi$-electron can be described with the character `A' written in 

+% the |BONDLIST|. 

+% \begin{verbatim}

+%

+%     BONDLIST = 

+%

+%           none       :  bicyclo[2.2.1]heptane

+%           a          :  1,2-double bond

+%           b          :  2,3-double bond

+%           c          :  4,3-double bond

+%           d          :  4,5-double bond

+%           e          :  5,6-double bond

+%           f          :  6,1-double bond

+%           A          :  aromatic circle 

+%           7          :  7,7-dimethyl

+% \end{verbatim}

+%

+% The |SUBSLIST| argument takes the standard format of \XyMTeX{}, in which 

+% more substitution descriptors are separated from each other 

+% by a semicolon.  

+% \begin{verbatim}

+%

+%     SUBSLIST: list of substituents (max 12 substitution positions)

+%

+%       for n = 1 to 7 

+%

+%           nD         :  exocyclic double bond at n-atom

+%           n or nS    :  exocyclic single bond at n-atom

+%           nA         :  alpha single bond at n-atom

+%           nB         :  beta single bond at n-atom

+%           nSA        :  alpha single bond at n-atom (boldface)

+%           nSB        :  beta single bond at n-atom (dotted line)

+%           nSa        :  alpha (not specified) single bond at n-atom

+%           nSb        :  beta (not specifed) single bond at n-atom

+% \end{verbatim}

+%

+% Several examples are shown as follows.

+%

+% \begin{verbatim}

+%       e.g. 

+%        

+%     \bicychepv{1==Cl;2==F}

+%     \bicychepv[c]{1==Cl;4==F;2==CH$_{3}$}

+%     \bicychepv[eb]{1D==O;4==Me;5==Cl;6==Cl}

+% \end{verbatim}

+%

+% The definition of |\@bicyclohepv| uses a picture environment, in which 

+% bonds are put directly, while subsituents are typset by using 

+% the macro |\setsixringv| defined in chemstr.sty of \XyMTeX{} system.

+% \changes{v1.02}{1998/10/31}{Adding \cs{ylposition}, \cs{if@ylsw},

+% \cs{yl@shifti}, \cs{@ylii}, \cs{yl@shiftii}, \cs{@ylii}, 

+% \cs{yl@xdiff} and \cs{yl@ydiff}}

+%

+% \begin{macro}{\@bicyclohepv}

+% \begin{macro}{\bicyclohepv}

+%    \begin{macrocode}

+\def\bicychepv{\@ifnextchar[{\@bicychepv}{\@bicychepv[r]}}

+\def\@bicychepv[#1]#2{%

+\@reset@ylsw%

+\ylposition{#2}{0}{0}{7}{0}%

+\if@ylsw

+ \yl@shiftii=\@ylii

+ \yl@shifti=\@yli

+ \advance\yl@shiftii\yl@xdiff

+ \advance\yl@shifti\yl@ydiff

+ \begin{picture}(0,0)(-\yl@shiftii,-\yl@shifti)

+\else

+ \begin{picture}(800,880)(-400,-240)

+  \iforigpt \put(-400,-240){\circle*{50}}%

+           \put(0,0){\circle{50}}% 

+   \typeout{command `bicychepv' origin: (0,0) ---> (400,240)}

+\fi

+  \fi%

+  \put(0,406){\line(-5,-3){171}}%       %bond 1-6

+  \put(0,406){\line(5,-3){171}}%        %bond 1-2

+  \put(0,0){\line(-5,3){171}}%          %bond 4-5

+  \put(0,0){\line(5,3){171}}%           %bond 4-3

+  \put(171,103){\line(0,1){200}}%       %bond 3-2

+  \put(-171,103){\line(0,1){200}}%      %bond 5-6

+{\thicklines%

+  \put(0,0){\line(1,4){51}}%            %bond 4-7

+  \put(0,406){\line(1,-4){51}}}%         %bond 1-7

+\@tfor\member:=#1\do{%

+\if\member r%no endcyclic double bonds

+\else \if\member a%

+  \put(6,364){\line(5,-3){126}}%        %double bond 1-2

+\else \if\member b%

+  \put(138,129){\line(0,1){148}}%       %double bond 3-2

+\else \if\member c%

+  \put(6,42){\line(5,3){126}}%          %double bond 4-3

+\else \if\member d%

+  \put(-6,42){\line(-5,3){126}}%        %double bond 4-5

+\else \if\member e%

+  \put(-138,129){\line(0,1){148}}%      %double bond 5-6

+\else \if\member f%

+  \put(-6,364){\line(-5,-3){126}}%      %double bond 1-6

+\else \if\member 7%

+ {\thicklines%

+  \put(51,204){\line(-1,0){70}}%        %7,7-dimethyl

+  \put(51,204){\line(1,0){70}}}%      

+\else \if\member A%aromatic circle 

+  \put(0,203){\circle{240}}%            %circle

+\fi\fi\fi\fi\fi\fi\fi\fi\fi}%

+% %

+\setsixringv{#2}{0}{0}{7}{0}

+\end{picture}}               %end of \bicychepv macro

+%    \end{macrocode}

+% \end{macro}

+% \end{macro}

+%

+% \subsection{Drawing of a flat and horizontal type}

+%

+% The flat-and-horizontal-type skeleton of bicycloheptanes is selected 

+% to have the following locant numbers. 

+%

+% \begin{verbatim}

+% *************************************

+% * bicyclo[2.2.1]heptane derivatives *

+% *  (flat, horizontal type)          *

+% *************************************

+% The following numbering is adopted in this macro. 

+%

+%                                2      3

+%                                 -----

+%                               *       *

+%   the original point ===> 1 *     7     * 4

+%          (0,0)                *       *

+%                                 -----

+%                                6      5

+% \end{verbatim}

+%

+% The macro |\bicycloheph| has an argument |SUBSLIST| as well as an optional 

+% argument |BONDLIST|.  

+%

+% \begin{verbatim}

+%   \bicycheph[BONDLIST]{SUBSLIST}

+% \end{verbatim}

+%

+% The |BONDLIST| argument contains one or more 

+% characters selected from a to f, each of which indicates the presence of 

+% an inner (endcyclic) double bond on the corresponding position. 

+% In order to put dimethyl subsitutents on the top position (7), 

+% the character `7' is used in the |BONDLIST|.  The delocalization 

+% of $\pi$-electron can be described with the character `A' written in 

+% the |BONDLIST|. 

+% \begin{verbatim}

+%     BONDLIST = 

+%

+%           none       :  bicyclo[2.2.1]heptane

+%           a          :  1,2-double bond

+%           b          :  2,3-double bond

+%           c          :  4,3-double bond

+%           d          :  4,5-double bond

+%           e          :  5,6-double bond

+%           f          :  6,1-double bond

+%           A          :  aromatic circle 

+%           7          :  7,7-dimethyl

+% \end{verbatim}

+%

+% The |SUBSLIST| argument takes the standard format of \XyMTeX{}, in which 

+% more substitution descriptors are separated from each other 

+% by a semicolon.  

+% \begin{verbatim}

+%

+%     SUBSLIST: list of substituents (max 8 substitution positions)

+%

+%       for n = 1 to 6 

+%

+%           nD         :  exocyclic double bond at n-atom

+%           n or nS    :  exocyclic single bond at n-atom

+%           nA         :  alpha single bond at n-atom

+%           nB         :  beta single bond at n-atom

+%           nSA        :  alpha single bond at n-atom (boldface)

+%           nSB        :  beta single bond at n-atom (dotted line)

+%           nSa        :  alpha (not specified) single bond at n-atom

+%           nSb        :  beta (not specifed) single bond at n-atom

+% \end{verbatim}

+%

+% Several examples are shown as follows.

+%

+% \begin{verbatim}

+%       e.g. 

+%        

+%        \bicycheph{1==Cl;2==F}

+%        \bicycheph[c]{1==Cl;4==F;2==CH$_{3}$}

+%        \bicycheph[eb]{1D==O;4==Me;5==Cl;6==Cl}

+% \end{verbatim}

+%

+% The definition of |\@bicycloheph| uses a picture environment, in which 

+% bonds are put directly, while subsituents are typset by using 

+% the macro |\setsixringh| defined in chemstr.sty of \XyMTeX{} system.

+% \changes{v1.02}{1998/10/31}{Adding \cs{ylpositionh}, \cs{if@ylsw},

+% \cs{yl@shifti}, \cs{@ylii}, \cs{yl@shiftii}, \cs{@ylii}, 

+% \cs{yl@xdiff} and \cs{yl@ydiff}}

+%

+% \begin{macro}{\@bicycloheph}

+% \begin{macro}{\bicycloheph}

+%    \begin{macrocode}

+\def\bicycheph{\@ifnextchar[{\@bicycheph}{\@bicycheph[r]}}

+\def\@bicycheph[#1]#2{%

+\@reset@ylsw%

+\ylpositionh{#2}{0}{0}{7}{0}%

+\if@ylsw

+ \yl@shiftii=\@ylii

+ \yl@shifti=\@yli

+ \advance\yl@shiftii\yl@xdiff

+ \advance\yl@shifti\yl@ydiff

+ \begin{picture}(0,0)(-\yl@shiftii,-\yl@shifti)

+\else

+ \begin{picture}(880,800)(-240,-400)

+  \iforigpt \put(-240,-400){\circle*{50}}%

+           \put(0,0){\circle{50}}% 

+   \typeout{command `bicycheph' origin: (0,0) ---> (240,400)}

+  \fi%

+\fi

+  \put(0,0){\line(3,5){103}}           %bond 1-2

+  \put(0,0){\line(3,-5){103}}          %bond 1-6

+  \put(406,0){\line(-3,5){103}}        %bond 4-3

+  \put(406,0){\line(-3,-5){103}}       %bond 4-3

+  \put(103,171){\line(1,0){200}}       %bond 2-3

+  \put(103,-171){\line(1,0){200}}      %bond 6-5

+{\thicklines%

+  \put(0,0){\line(4,1){203}}%            %bond 4-7

+  \put(406,0){\line(-4,1){203}}}%         %bond 1-7

+\@tfor\member:=#1\do{%

+\if\member r%no endcyclic double bonds

+\else \if\member a%

+  \put(42,6){\line(3,5){78}}           %double bond 1-2

+\else \if\member b%

+  \put(129,138){\line(1,0){148}}       %double bond 2-3

+\else \if\member c%

+  \put(364,6){\line(-3,5){78}}         %double bond 4-3

+\else \if\member d%

+  \put(364,-6){\line(-3,-5){78}}       %double bond 4-5

+\else \if\member e%

+  \put(129,-138){\line(1,0){148}}      %double bond 6-5

+\else \if\member f%

+  \put(42,-6){\line(3,-5){78}}         %double bond 1-6

+\else \if\member 7%

+ {\thicklines%

+  \put(204,51){\line(0,-1){70}}%        %7,7-dimethyl

+  \put(204,51){\line(0,1){70}}}%      

+\else \if\member A%aromatic circle 

+  \put(203,0){\circle{240}}            %circle

+\fi\fi\fi\fi\fi\fi\fi\fi\fi}

+% %

+\setsixringh{#2}{0}{0}{7}{0}

+\end{picture}}               %end of \bicycheph macro

+%    \end{macrocode}

+% \end{macro}

+% \end{macro}

+%

+% \subsection{Drawing of a stereo type}

+%

+% \subsubsection{Macros for setting substituents}

+% 

+% Macros |\@borna| to |\@borng| are used to set substituents 

+% on each position of bornane.  

+%

+% \begin{macro}{\@borna}

+% \changes{v1.02}{1998/10/31}{Adding \cs{yl@xdiff} and \cs{yl@ydiff}}
+%    \begin{macrocode}

+% ***********************************************

+% * setting bonds and substituents for bornanes *

+% * (bicycloe[2.2.1]heptane derivatives)        *

+% ***********************************************

+% %%%%%%%%%%%%%%%

+% % subst. on 1 %

+% %%%%%%%%%%%%%%%

+\def\@borna{%

+   \if\@tmpb S%single bond

+    \ifx\@tmpc\empty%

+     \yl@xdiff=8

+     \yl@ydiff=3

+          \put(318,247){\line(2,5){40}}%      % single bond 1

+           \putratom{350}{350}{\@memberb}%    % right type

+    \else\if\@tmpc a%(a) alpha

+     \yl@xdiff=8

+     \yl@ydiff=3

+          \put(318,247){\line(2,5){40}}%      % single bond 1

+           \putratom{350}{350}{\@memberb}%    % right type

+    \else\if\@tmpc b%(b) beta

+     \yl@xdiff=8

+     \yl@ydiff=3

+          \put(318,247){\line(2,5){40}}%      % single bond 1

+          \putratom{350}{350}{\@memberb}%     % right type

+    \fi\fi\fi%

+   \else%

+     \yl@xdiff=8

+     \yl@ydiff=3

+          \put(318,247){\line(2,5){40}}%      % single bond 1

+           \putratom{350}{350}{\@memberb}     % right type

+   \fi}%

+%    \end{macrocode}

+% \end{macro}

+%

+% \begin{macro}{\@bornb}

+% \changes{v1.02}{1998/10/31}{Adding \cs{yl@xdiff} and \cs{yl@ydiff}}
+%    \begin{macrocode}

+% %%%%%%%%%%%%%%%

+% % subst. on 2 %

+% %%%%%%%%%%%%%%%

+\def\@bornb{%

+ \begin{picture}(200,200)(0,0)

+   \if\@tmpb S%single bond

+    \ifx\@tmpc\empty%

+     \yl@xdiff=-10

+     \yl@ydiff=20

+           \put(0,0){\line(5,2){160}}% 

+           \putratom{170}{44}{\@memberb}%      % left type

+    \else\if\@tmpc A%(A) alpha

+     \yl@xdiff=0

+     \yl@ydiff=-5

+           \putratom{140}{115}{\@memberb}%     % right type

+           {%

+           \thicklines%

+           \put(0,0){\line(4,3){140}}%         % endo (a)

+           }%

+    \else\if\@tmpc B%(B) beta

+     \yl@xdiff=10

+     \yl@ydiff=30

+           \putratom{150}{-86}{\@memberb}%     % right type

+       \@ifundefined{dottedline}{%

+           \put(0,0){\line(5,-2){140}}%        % exo (b)

+           }{{\thicklines%

+              \dottedline{20}(0,0)(140,-56)}}%

+    \else\if\@tmpc a%(a) alpha

+     \yl@xdiff=10

+     \yl@ydiff=30

+           \put(0,0){\line(5,-2){140}}%        % endo (a)

+           \putratom{150}{-86}{\@memberb}%     % right type

+    \else\if\@tmpc b%(b) beta

+     \yl@xdiff=0

+     \yl@ydiff=-10

+           \put(0,0){\line(4,3){140}}%         % exo (b)

+           \putratom{140}{115}{\@memberb}%     % right type

+    \fi\fi\fi\fi\fi%

+   \else \if\@tmpb D%double bond

+     \yl@xdiff=-10

+     \yl@ydiff=20

+           \put(-10,-15){\line(5,2){160}}% 

+           \put(-5,15){\line(5,2){160}}% 

+           \putratom{170}{44}{\@memberb}%      % right type

+   \else \if\@tmpb A%alpha single bond

+     \yl@xdiff=-10

+     \yl@ydiff=20

+           \putratom{170}{44}{\@memberb}%      % right type

+           {%

+           \thicklines%

+           \put(0,0){\line(5,2){160}}% 

+           }%

+   \else \if\@tmpb B%beta single bond

+     \yl@xdiff=-10

+     \yl@ydiff=20

+           \putratom{170}{44}{\@memberb}%      % right type

+       \@ifundefined{dottedline}{%

+           \put(0,0){\line(5,2){160}}% 

+           }{{\thicklines%

+              \dottedline{20}(0,0)(160,64)}}%

+   \else%

+     \yl@xdiff=-10

+     \yl@ydiff=20

+           \put(0,0){\line(5,2){160}}% 

+           \putratom{170}{44}{\@memberb}%      % right type

+   \fi\fi\fi\fi\end{picture}}%

+%    \end{macrocode}

+% \end{macro}

+%

+% \begin{macro}{\@bornc}

+% \changes{v1.02}{1998/10/31}{Adding \cs{yl@xdiff} and \cs{yl@ydiff}}
+%    \begin{macrocode}

+% %%%%%%%%%%%%%%%

+% % subst. on 3 %

+% %%%%%%%%%%%%%%%

+\def\@bornc{%

+ \begin{picture}(200,200)(0,0)

+   \if\@tmpb S%single bond

+    \ifx\@tmpc\empty%

+     \yl@xdiff=-10

+     \yl@ydiff=30

+           \put(0,0){\line(5,-2){140}}%

+           \putratom{150}{-86}{\@memberb}%    % right type

+    \else\if\@tmpc A%(A) alpha

+     \yl@xdiff=-10

+     \yl@ydiff=30

+           \putratom{150}{26}{\@memberb}%     % right type

+           {%

+           \thicklines%

+           \put(0,0){\line(5,2){140}}%        % endo (a)

+           }%

+    \else\if\@tmpc B%(B) beta

+     \yl@xdiff=0

+     \yl@ydiff=40

+           \putratom{140}{-145}{\@memberb}%   % right type

+       \@ifundefined{dottedline}{%

+           \put(0,0){\line(4,-3){140}}%       % exo (b)

+           }{{\thicklines%

+              \dottedline{20}(0,0)(140,-105)}}%

+    \else\if\@tmpc a%(a) alpha

+     \yl@xdiff=0

+     \yl@ydiff=40

+           \put(0,0){\line(4,-3){140}}%       % endo (a)

+           \putratom{140}{-145}{\@memberb}%   % right type

+    \else\if\@tmpc b%(b) beta

+     \yl@xdiff=-10

+     \yl@ydiff=30

+           \put(0,0){\line(5,2){140}}%        % exo (b)

+           \putratom{150}{26}{\@memberb}%     % right type

+    \fi\fi\fi\fi\fi

+   \else \if\@tmpb D%double bond

+     \yl@xdiff=10

+     \yl@ydiff=50

+           \put(10,15){\line(5,-2){160}}% 

+           \put(5,-15){\line(5,-2){160}}% 

+           \putratom{170}{-124}{\@memberb}%   % right type

+   \else \if\@tmpb A%alpha single bond

+     \yl@xdiff=-10

+     \yl@ydiff=30

+           \putratom{150}{-86}{\@memberb}%    % right type

+           {%

+           \thicklines%

+           \put(0,0){\line(5,-2){140}}%       % endo (a)

+           }%

+   \else \if\@tmpb B%beta single bond

+     \yl@xdiff=-10

+     \yl@ydiff=30

+           \putratom{150}{-86}{\@memberb}%    % right type

+       \@ifundefined{dottedline}{%

+           \put(0,0){\line(5,-2){140}}%       % exo (b)

+           }{{\thicklines%

+              \dottedline{20}(0,0)(140,-56)}}%

+   \else%

+     \yl@xdiff=-10

+     \yl@ydiff=20

+           \put(0,0){\line(5,2){160}}% 

+           \putratom{170}{44}{\@memberb}%     % right type

+   \fi\fi\fi\fi%

+\end{picture}}%

+%    \end{macrocode}

+% \end{macro}

+%

+% \begin{macro}{\@bornd}

+% \changes{v1.02}{1998/10/31}{Adding \cs{yl@xdiff} and \cs{yl@ydiff}}
+%    \begin{macrocode}

+% %%%%%%%%%%%%%%%

+% % subst. on 4 %

+% %%%%%%%%%%%%%%%

+\def\@bornd{%

+   \if\@tmpb S%single bond

+    \ifx\@tmpc\empty%

+     \yl@xdiff=30

+     \yl@ydiff=87

+          \put(237,47){\line(-2,-5){40}}%      % single bond 4

+          \putlratom{167}{-140}{\@memberb}%    % left & right type

+    \else\if\@tmpc a%(a) alpha

+     \yl@xdiff=30

+     \yl@ydiff=87

+          \put(237,47){\line(-2,-5){40}}%      % single bond 4

+          \putlratom{167}{-140}{\@memberb}%    % left & right type

+    \else\if\@tmpc b%(b) beta

+     \yl@xdiff=30

+     \yl@ydiff=87

+          \put(237,47){\line(-2,-5){40}}%      % single bond 4

+          \putlratom{167}{-140}{\@memberb}%    % left & right type

+    \fi\fi\fi%

+   \else%

+     \yl@xdiff=30

+     \yl@ydiff=87

+          \put(237,47){\line(-2,-5){40}}%      % single bond 4

+          \putlratom{167}{-140}{\@memberb}%    % left & right type

+   \fi}%

+%    \end{macrocode}

+% \end{macro}

+%

+% \begin{macro}{\@borne}

+% \changes{v1.02}{1998/10/31}{Adding \cs{yl@xdiff} and \cs{yl@ydiff}}
+%    \begin{macrocode}

+% %%%%%%%%%%%%%%%

+% % subst. on 5 %

+% %%%%%%%%%%%%%%%

+\def\@borne{%

+ \begin{picture}(200,200)(0,0)

+   \if\@tmpb S%single bond

+    \ifx\@tmpc\empty%

+     \yl@xdiff=10

+     \yl@ydiff=30

+           \put(0,0){\line(-5,-2){140}}%

+           \putlatom{-150}{-86}{\@memberb}%    % left type

+    \else\if\@tmpc A%(A) alpha

+     \yl@xdiff=10

+     \yl@ydiff=30

+           \putlatom{-150}{26}{\@memberb}%     % left type

+           {%

+           \thicklines%

+           \put(0,0){\line(-5,2){140}}%        % endo (a)

+           }%

+    \else\if\@tmpc B%(B) beta

+     \yl@xdiff=0

+     \yl@ydiff=40

+           \putlatom{-140}{-145}{\@memberb}%   % left type

+       \@ifundefined{dottedline}{%

+           \put(0,0){\line(-4,-3){140}}%       % exo (b)

+           }{{\thicklines%

+              \dottedline{20}(0,0)(-140,-105)}}%

+    \else\if\@tmpc a%(a) alpha

+     \yl@xdiff=0

+     \yl@ydiff=30

+           \put(0,0){\line(-4,-3){140}}%       % endo (a)

+           \putlatom{-140}{-145}{\@memberb}%   % left type

+    \else\if\@tmpc b%(b) beta

+     \yl@xdiff=10

+     \yl@ydiff=30

+           \put(0,0){\line(-5,2){140}}%        % exo (b)

+           \putlatom{-150}{26}{\@memberb}%     % left type

+    \fi\fi\fi\fi\fi

+   \else \if\@tmpb D%double bond

+     \yl@xdiff=0

+     \yl@ydiff=64

+           \put(-10,15){\line(-5,-2){160}}% 

+           \put(-5,-15){\line(-5,-2){160}}% 

+           \putlatom{-170}{-124}{\@memberb}%   % left type

+   \else \if\@tmpb A%alpha single bond

+     \yl@xdiff=10

+     \yl@ydiff=30

+           \putlatom{-150}{-86}{\@memberb}%    % left type

+           {%

+           \thicklines%

+           \put(0,0){\line(-5,-2){140}}%       % endo (a)

+           }%

+   \else \if\@tmpb B%beta single bond

+     \yl@xdiff=10

+     \yl@ydiff=30

+           \putlatom{-150}{-86}{\@memberb}%    % left type

+       \@ifundefined{dottedline}{%

+           \put(0,0){\line(-5,-2){140}}%       % exo (b)

+           }{{\thicklines%

+              \dottedline{20}(0,0)(-140,-56)}}%

+   \else%

+     \yl@xdiff=10

+     \yl@ydiff=20

+           \put(0,0){\line(-5,2){160}}% 

+           \putlatom{-170}{44}{\@memberb}%     % left type

+   \fi\fi\fi\fi%

+\end{picture}}%

+%    \end{macrocode}

+% \end{macro}

+%

+% \begin{macro}{\@bornf}

+% \changes{v1.02}{1998/10/31}{Adding \cs{yl@xdiff} and \cs{yl@ydiff}}
+%    \begin{macrocode}

+% %%%%%%%%%%%%%%%

+% % subst. on 6 %

+% %%%%%%%%%%%%%%%

+\def\@bornf{%

+ \begin{picture}(200,200)(0,0)

+   \if\@tmpb S%single bond

+    \ifx\@tmpc\empty%

+     \yl@xdiff=10

+     \yl@ydiff=30

+           \put(0,0){\line(-5,2){160}}% 

+           \putlatom{-170}{44}{\@memberb}%      % left type

+    \else\if\@tmpc A%(A) alpha

+     \yl@xdiff=10

+     \yl@ydiff=-10

+           \putlatom{-140}{115}{\@memberb}%     % left type

+           {%

+           \thicklines%

+           \put(0,0){\line(-4,3){140}}%         % endo (a)

+           }%

+    \else\if\@tmpc B%(B) beta

+     \yl@xdiff=0

+     \yl@ydiff=30

+           \putlatom{-150}{-86}{\@memberb}%     % left type

+       \@ifundefined{dottedline}{%

+           \put(0,0){\line(-5,-2){140}}%        % exo (b)

+           }{{\thicklines%

+              \dottedline{20}(0,0)(-140,-56)}}%

+    \else\if\@tmpc a%(a) alpha

+     \yl@xdiff=10

+     \yl@ydiff=30

+           \put(0,0){\line(-5,-2){140}}%        % endo (a)

+           \putlatom{-150}{-86}{\@memberb}%     % left type

+    \else\if\@tmpc b%(b) beta

+     \yl@xdiff=0

+     \yl@ydiff=-10

+           \put(0,0){\line(-4,3){140}}%         % exo (b)

+           \putlatom{-140}{115}{\@memberb}%     % left type

+    \fi\fi\fi\fi\fi%

+   \else \if\@tmpb D%double bond

+     \yl@xdiff=0

+     \yl@ydiff=20

+           \put(10,-15){\line(-5,2){160}}% 

+           \put(5,15){\line(-5,2){160}}% 

+           \putlatom{-170}{44}{\@memberb}%      % left type

+   \else \if\@tmpb A%alpha single bond

+     \yl@xdiff=10

+     \yl@ydiff=30

+           \putlatom{-170}{44}{\@memberb}%      % left type

+           {%

+           \thicklines%

+           \put(0,0){\line(-5,2){160}}% 

+           }%

+   \else \if\@tmpb B%beta single bond

+     \yl@xdiff=10

+     \yl@ydiff=30

+           \putlatom{-170}{44}{\@memberb}%      % left type

+       \@ifundefined{dottedline}{%

+           \put(0,0){\line(-5,2){160}}% 

+           }{{\thicklines%

+              \dottedline{20}(0,0)(-160,64)}}%

+   \else%

+     \yl@xdiff=10

+     \yl@ydiff=20

+           \put(0,0){\line(-5,2){160}}% 

+           \putlatom{-170}{44}{\@memberb}%      % left type

+   \fi\fi\fi\fi\end{picture}}%

+%    \end{macrocode}

+% \end{macro}

+%

+% \begin{macro}{\@borng}

+% \changes{v1.02}{1998/10/31}{Adding \cs{yl@xdiff} and \cs{yl@ydiff}}
+%    \begin{macrocode}

+% %%%%%%%%%%%%%%%

+% % subst. on 7 %

+% %%%%%%%%%%%%%%%

+\def\@borng{%

+ \begin{picture}(200,200)(0,0)

+   \if\@tmpb S%single bond

+    \ifx\@tmpc\empty%

+     \yl@xdiff=40

+     \yl@ydiff=-20

+           \put(0,0){\line(0,1){160}}% 

+           \putlratom{-40}{180}{\@memberb}%      % left & right type

+    \else\if\@tmpc a%(a) left

+     \yl@xdiff=0

+     \yl@ydiff=-10

+           \put(0,0){\line(-4,3){140}}%          % left (a)

+           \putlatom{-140}{115}{\@memberb}%      % left type

+    \else\if\@tmpc b%(b) right

+     \yl@xdiff=0

+     \yl@ydiff=-10

+           \put(0,0){\line(4,3){140}}%           % right (b)

+           \putratom{140}{115}{\@memberb}%       % right type

+    \fi\fi\fi%\fi\fi%

+   \else \if\@tmpb D%double bond

+     \yl@xdiff=40

+     \yl@ydiff=-20

+           \put(-10,0){\line(0,1){160}}% 

+           \put(10,0){\line(0,1){160}}% 

+           \putlratom{-40}{180}{\@memberb}%      % left & right type

+   \else%

+     \yl@xdiff=40

+     \yl@ydiff=-20

+           \put(0,0){\line(0,1){160}}% 

+           \putlratom{-40}{180}{\@memberb}%      % left & right type

+   \fi\fi\end{picture}}%

+%    \end{macrocode}

+% \end{macro}

+%

+% \subsubsection{Drawing of borane derivatives}

+% 

+% The stereo-type skeleton of bicycloheptanes is selected 

+% to have the following locant numbers. 

+%

+% \begin{verbatim}

+% ***********************************************

+% * bornane derivatives                         *

+% * (bicycloe[2.2.1]heptane derivatives)        *

+% ***********************************************

+% The following numbering is adopted in this macro. 

+%

+%                7   g

+%           f    / `

+%            _  / - 1_ a

+%     e    6  / h     - 2

+%       *    /        *

+%     5  -  4       * b

+%        d     c` 3

+%

+% \end{verbatim}

+%

+% The macro |\bornane| has an argument |SUBSLIST| as well as an optional 

+% argument |BONDLIST|.  

+%

+% \begin{verbatim}

+%   \bornane[BONDLIST]{SUBSLIST}          

+% \end{verbatim}

+%

+% The |BONDLIST| argument contains one or more 

+% characters selected from a to h, each of which indicates the presence of 

+% an inner (endcyclic) double bond on the corresponding position. 

+% \begin{verbatim}

+%

+%     BONDLIST = 

+%

+%           none       :  bicyclo[2.2.1]heptane

+%           a          :  1,2-double bond

+%           b          :  2,3-double bond

+%           c          :  4,3-double bond

+%           d          :  4,5-double bond

+%           e          :  5,6-double bond

+%           f          :  6,1-double bond

+%           g          :  1,7-double bond

+%           h          :  4,7-double bond

+% \end{verbatim}

+%

+% The |SUBSLIST| argument takes the standard format of \XyMTeX{}, in which 

+% more substitution descriptors are separated from each other 

+% by a semicolon.  

+% \begin{verbatim}

+%

+%     SUBSLIST: list of substituents (max 7 substitution positions)

+%

+%       for n = 1 to 6

+%

+%           nD         :  exocyclic double bond at n-atom

+%           n or nS    :  exocyclic single bond at n-atom

+%           nA         :  alpha single bond at n-atom

+%           nB         :  beta single bond at n-atom

+%           nSA        :  alpha single bond at n-atom (boldface)

+%           nSB        :  beta single bond at n-atom (dotted line)

+%           nSa        :  alpha single bond at n-atom

+%           nSb        :  beta single bond at n-atom

+% \end{verbatim}

+% 

+% The 7-position of a bornane skeleton cannot be specified by 

+% capital characters `A' and `B'.  

+% \begin{verbatim}

+%       for n = 7 (bridge position)

+%

+%           nD         :  exocyclic double bond at 7-atom

+%           n or nS    :  exocyclic single bond at 7-atom

+%           nSa        :  left single bond at 7-atom

+%           nSb        :  right single bond at 7-atom

+%

+% \end{verbatim}

+%

+% Several examples are shown as follows.

+%

+% \begin{verbatim}

+%       e.g. 

+%        

+%        \bornane{1==N}{1==Cl;2==F}

+%        \bornane[c]{1==N}{1==Cl;4==F;2==CH$_{3}$}

+%        \bornane[eb]{1==N}{1D==O;4==MeO;5==Cl;6==Cl}

+% \end{verbatim}

+%

+% The definition of |\@bicycloheph| uses a picture environment, in which 

+% bonds are put directly, while subsituents are typset by using 

+% the macro |\@borna| to |\@borng| defined in chemstr.sty of \XyMTeX{} 

+% system.

+%

+% \changes{v1.01b}{1998/10/08}{The drawing are of \cs{bornane} 

+% has been changed by SF.}

+% \changes{v1.02}{1998/10/31}{Adding \cs{ylbornaneposition}, \cs{if@ylsw},

+% \cs{yl@shifti}, \cs{@ylii}, \cs{yl@shiftii}, \cs{@ylii}, 

+% \cs{yl@xdiff} and \cs{yl@ydiff}}

+%

+% \begin{macro}{\@bornane}

+% \begin{macro}{\bornane}

+%    \begin{macrocode}

+

+\def\bornane{\@ifnextchar[{\@bornane}{\@bornane[r]}}

+\def\@bornane[#1]#2{%

+\@reset@ylsw%

+\ylbornaneposition{#2}%

+\def\@@ylii{0}\def\@@yli{0}%

+\if@ylsw

+ \yl@shiftii=\@ylii

+ \yl@shifti=\@yli

+ \advance\yl@shiftii\@@ylii

+ \advance\yl@shifti\@@yli

+ \advance\yl@shiftii\yl@xdiff

+ \advance\yl@shifti\yl@ydiff

+ \begin{picture}(0,0)(-\yl@shiftii,-\yl@shifti)

+\else

+% \begin{picture}(1400,1000)(-200,-240)

+ \begin{picture}(1000,1000)(-200,-240)%changed by SF 1998/09/26

+  \iforigpt \put(-200,-240){\circle*{50}}%

+           \put(0,0){\circle{50}}% 

+   \typeout{command `bornane' origin: (0,0) ---> (200,240)}

+  \fi%

+\fi

+% skeletal bonds

+ \thicklines%

+  \put(0,0){\line(5,1){237}}%            % bond 5 to 4 (d)

+  \put(237,47){\line(5,-2){225}}%        % bond 4 to 3 (c)

+  \put(237,47){\line(0,1){400}}%         % front part of bridge (h)

+ \thinlines%

+  \put(462,-43){\line(2,5){80}}%         % bond 3 to 2 (b)

+  \put(543,157){\line(-5,2){225}}%       % bond 2 to 1 (a)

+  \put(318,247){\line(-5,-1){237}}%      % bond 1 to 6 (f)

+  \put(80,200){\line(-2,-5){80}}%        % bond 6 to 5 (e)

+  \put(318,247){\line(-2,5){80}}%        % back part of bridge (g)

+% inner double bond

+\@tfor\member:=#1\do{%

+\if\member r%no endcyclic bonds

+\else \if\member a%%%%

+   \put(513,127){\line(-5,2){180}}%       % bond 2 to 1

+\else \if\member b%%%%

+   \put(446,-3){\line(2,5){60}}%          % bond 3 to 2

+\else \if\member c%%%%

+   \put(267,77){\line(5,-2){180}}%        % bond 4 to 3

+\else \if\member d%%%%

+   \put(40,42){\line(5,1){180}}%          % double bond 5 to 4

+\else \if\member e%%%

+   \put(100,180){\line(-2,-5){60}}%       % bond 6 to 5

+\else \if\member f%

+   \put(288,207){\line(-5,-1){180}}%      % bond 1 to 6

+\else \if\member g%

+  \put(288,260){\line(-2,5){40}}%         % back part of bridge (g)

+\else \if\member h%

+  \put(257,77){\line(0,1){290}}%          % front part of bridge (h)

+\fi\fi\fi\fi\fi\fi\fi\fi\fi}%

+%

+\@forsemicol\member:=#2\do{%

+\ifx\member\empty\else

+\expandafter\@m@mb@r\member;\relax%

+\expandafter\threech@r\@membera{}{}%

+\ifx\@memberb\@yl\else

+\ifcase\@tmpa%0 omit

+ \or \@borna% subst. on 1

+ \or \put(543,157){\@bornb}% subst. on 2

+ \or \put(462,-43){\@bornc}% subst. on 3

+ \or \@bornd% subst. on 4

+ \or \put(0,0){\@borne}% subst. on 5

+ \or \put(80,200){\@bornf}% subst. on 6

+ \or \put(237,440){\@borng}% subst. on 7

+\fi%end of ifcase

+\fi\fi%

+}\end{picture}\iniatom\iniflag}     %end of \bornane macro

+%    \end{macrocode}

+% \end{macro}

+% \end{macro}

+%

+% The command |\ylbornaneposition| is to obtain the shift values 

+% |\@ylii| and |\@yli| which are used for shifting the standard 

+% point of a substituent. 

+% \changes{v1.02}{1998/10/23}{New ommands for setting substituents}
+%

+% \begin{macro}{\ylbornaneposition}

+%    \begin{macrocode}

+\def\ylbornaneposition#1{%

+\@@ylswfalse%%%\@reset@ylsw

+\@forsemicol\member:=#1\do{%

+\if@@ylsw\else

+\ifx\member\empty\else

+\expandafter\@m@mb@r\member;\relax

+\expandafter\threech@r\@membera{}{}\relax

+\ifx\@memberb\@yl\relax\@@ylswtrue\else\@@ylswfalse\fi

+\if@@ylsw

+\ifcase\@tmpa%0 omit

+ \or\gdef\@ylii{-318}\gdef\@yli{-247}\global\@ylswtrue% subst. on 1

+ \or\gdef\@ylii{-543}\gdef\@yli{-157}\global\@ylswtrue% subst. on 2

+ \or\gdef\@ylii{-462}\gdef\@yli{43}\global\@ylswtrue% subst. on 3

+ \or\gdef\@ylii{-237}\gdef\@yli{-47}\global\@ylswtrue% subst. on 4

+ \or\gdef\@ylii{0}\gdef\@yli{0}\global\@ylswtrue% subst. on 5

+ \or\gdef\@ylii{-80}\gdef\@yli{-200}\global\@ylswtrue% subst. on 6

+ \or\gdef\@ylii{-237}\gdef\@yli{-440}\global\@ylswtrue% subst. on 7

+\fi%end of ifcase

+\fi\fi\fi}}%

+%    \end{macrocode}

+% \end{macro}

+%

+% \section{Adamantanes}

+%

+% \subsection{Vertical drawing}

+% 

+% The macros |\@adamanea| to |\@adamanej| are used to 

+% set substituents on each edge of an adamantane skeleton 

+% drawn by the |\adamantane| commands. 

+% \changes{v1.02}{1998/10/24}{The macros \cs{@adamanea} to \cs{@adamanej} 

+% are separated from the original definition of \cs{adamantane}.}

+%

+% \begin{macro}{\@adamanea}

+% \begin{macro}{\@adamaneb}

+% \begin{macro}{\@adamanec}

+% \begin{macro}{\@adamaned}

+% \begin{macro}{\@adamanee}

+% \begin{macro}{\@adamanef}

+% \begin{macro}{\@adamaneg}

+% \begin{macro}{\@adamaneh}

+% \begin{macro}{\@adamanei}

+% \begin{macro}{\@adamanej}

+% \changes{v1.02}{1998/10/24}{A new command for setting substituents}
+%    \begin{macrocode}

+% %%%%%%%%%%%%%%%

+% % subst. on 1 %

+% %%%%%%%%%%%%%%%

+\def\@adamanea{%

+     \yl@xdiff=12

+     \yl@ydiff=21

+   \put(-360,720){\hbox to0pt{\hss \@memberb}}%     %atom 1

+ \if\@tmpb a%

+   \put(-240,660){\line(-4,3){108}}%                %bond 1

+  \else \ifx\@tmpb\empty%

+   \put(-240,660){\line(-4,3){108}}%                %bond 1

+ \fi\fi}% 

+%    \end{macrocode}

+%

+% \changes{v1.02}{1998/10/24}{A new command for setting substituents}
+%    \begin{macrocode}

+% %%%%%%%%%%%%%%%

+% % subst. on 2 %

+% %%%%%%%%%%%%%%%

+\def\@adamaneb{%

+  \if\@tmpb a%

+     \yl@xdiff=6

+     \yl@ydiff=-16

+   \put(0,780){\line(1,4){26}}%                     %bond 2-ax

+   \put(20,900){\hbox to0pt{\@memberb \hss}}%       %atom 2-ax

+  \else \if\@tmpb b%

+     \yl@xdiff=-6

+     \yl@ydiff=-16

+   \put(0,780){\line(-1,4){26}}%                    %bond 2-eq

+   \put(-20,900){\hbox to0pt{\hss \@memberb}}%      %atom 2-eq

+  \else \ifx\@tmpb\empty%

+     \yl@xdiff=42

+     \yl@ydiff=-22

+   \put(-42,910){\hbox to0pt{\hss \@memberb}}%      %atom 2

+   \put(0,780){\line(0,1){108}}%                    %bond 2

+  \else \if\@tmpb D%

+     \yl@xdiff=42

+     \yl@ydiff=-22

+   \putlratom{-42}{910}{\@memberb}%                 %atom 2

+   \put(-12,780){\line(0,1){108}}%                  %double bond 2

+   \put(12,780){\line(0,1){108}}%                   %double bond 2

+ \fi\fi\fi\fi}

+%    \end{macrocode}

+%

+% \changes{v1.02}{1998/10/24}{A new command for setting substituents}
+%    \begin{macrocode}

+% %%%%%%%%%%%%%%%

+% % subst. on 3 %

+% %%%%%%%%%%%%%%%

+\def\@adamanec{%

+     \yl@xdiff=-12

+     \yl@ydiff=21

+   \put(360,720){\hbox to0pt{\@memberb \hss}}%      %atom 3

+%  \if\@tmpb S%

+  \if\@tmpb a%1998/10/24 by SF

+   \put(240,660){\line(4,3){108}}%                  %bond 3

+  \else \ifx\@tmpb\empty%

+   \put(240,660){\line(4,3){108}}%                  %bond 3

+ \fi\fi}

+%    \end{macrocode}

+%

+% \changes{v1.02}{1998/10/24}{A new command for setting substituents}
+%    \begin{macrocode}

+% %%%%%%%%%%%%%%%

+% % subst. on 4 %

+% %%%%%%%%%%%%%%%

+\def\@adamaned{%

+  \if\@tmpb a%

+     \yl@xdiff=-17

+     \yl@ydiff=33

+   \put(300,420){\line(4,-3){103}}%                 %bond 4-ax

+   \put(420,310){\hbox to0pt{\@memberb \hss}}%      %atom 4-ax

+  \else \if\@tmpb b%

+     \yl@xdiff=26

+     \yl@ydiff=-26

+   \put(300,420){\line(1,4){26}}%                   %bond 4-eq

+   \put(300,540){\hbox to0pt{\@memberb \hss}}%      %atom 4-eq

+  \else \ifx\@tmpb\empty%

+     \yl@xdiff=-17

+     \yl@ydiff=33

+   \put(300,420){\line(4,-3){103}}%                 %bond 4

+   \put(420,310){\hbox to0pt{\@memberb \hss}}%      %atom 4

+  \else \if\@tmpb D%

+     \yl@xdiff=-17

+     \yl@ydiff=33

+   \put(296,432){\line(5,-3){103}}%                 %double bond 4

+   \put(292,408){\line(5,-3){103}}%                 %double bond 4

+   \put(420,310){\hbox to0pt{\@memberb \hss}}%      %atom 4

+  \fi\fi\fi\fi}

+%    \end{macrocode}

+%

+% \changes{v1.02}{1998/10/24}{A new command for setting substituents}
+%    \begin{macrocode}

+% %%%%%%%%%%%%%%%

+% % subst. on 5 %

+% %%%%%%%%%%%%%%%

+\def\@adamanee{%

+     \yl@xdiff=20

+     \yl@ydiff=110

+%  \if\@tmpb S%

+  \if\@tmpb a%1998/10/24 by SF

+   \put(60,240){\line(1,-5){30}}%                   %bond 5

+   \put(70,-20){\hbox to0pt{\@memberb  \hss}}%      %atom 5

+  \else \ifx\@tmpb\empty%

+   \put(60,240){\line(1,-5){30}}%                   %bond 5

+   \put(70,-20){\hbox to0pt{\@memberb  \hss}}%      %atom 5

+  \fi\fi}

+%    \end{macrocode}

+%

+% \changes{v1.02}{1998/10/24}{A new command for setting substituents}
+%    \begin{macrocode}

+% %%%%%%%%%%%%%%%

+% % subst. on 6 %

+% %%%%%%%%%%%%%%%

+\def\@adamanef{%

+  \if\@tmpb a%

+     \yl@xdiff=33

+     \yl@ydiff=103

+   \put(0,0){\line(4,-3){103}}%                     %bond 6-ax

+   \put(70,-180){\hbox to0pt{\@memberb \hss}}%      %atom 6-ax

+  \else \if\@tmpb b%

+     \yl@xdiff=-33

+     \yl@ydiff=103

+   \put(0,0){\line(-4,-3){103}}%                    %bond 6-eq

+   \put(-70,-180){\hbox to0pt{\hss \@memberb}}%     %atom 6-eq

+  \else \ifx\@tmpb\empty%

+     \yl@xdiff=22

+     \yl@ydiff=94

+   \put(0,0){\line(0,-1){108}}%                     %bond 6

+   \put(-22,-202){\hbox to0pt{\hss \@memberb}}%     %atom 6

+  \else \if\@tmpb D%

+     \yl@xdiff=42

+     \yl@ydiff=94

+   \put(-12,0){\line(0,-1){108}}%                   %double bond 6

+   \put(12,0){\line(0,-1){108}}%                    %double bond 6

+   \putlratom{-42}{-202}{\@memberb}%                %atom 6

+ \fi\fi\fi\fi}

+%    \end{macrocode}

+%

+% \changes{v1.02}{1998/10/24}{A new command for setting substituents}
+%    \begin{macrocode}

+% %%%%%%%%%%%%%%%

+% % subst. on 7 %

+% %%%%%%%%%%%%%%%

+\def\@adamaneg{%

+     \yl@xdiff=-20

+     \yl@ydiff=110

+%  \if\@tmpb S%

+  \if\@tmpb a%1998/10/24 by SF

+   \put(-60,240){\line(-1,-5){30}}%                 %bond 7

+   \put(-70,-20){\hbox to0pt{\hss \@memberb}}%      %atom 7

+  \else \ifx\@tmpb\empty%

+   \put(-60,240){\line(-1,-5){30}}%                 %bond 7

+   \put(-70,-20){\hbox to0pt{\hss \@memberb}}%      %atom 7-eq

+  \fi\fi}

+%    \end{macrocode}

+%

+% \changes{v1.02}{1998/10/24}{A new command for setting substituents}
+%    \begin{macrocode}

+% %%%%%%%%%%%%%%%

+% % subst. on 8 %

+% %%%%%%%%%%%%%%%

+\def\@adamaneh{%

+  \if\@tmpb a%

+     \yl@xdiff=17

+     \yl@ydiff=33

+   \put(-300,420){\line(-4,-3){103}}%               %bond 8-ax

+   \put(-420,310){\hbox to0pt{\hss \@memberb}}%     %atom 8-ax

+  \else \if\@tmpb b%

+     \yl@xdiff=-26

+     \yl@ydiff=-16

+   \put(-300,420){\line(-1,4){26}}%                 %bond 8-eq

+   \put(-300,540){\hbox to0pt{\hss \@memberb}}%     %atom 8-eq

+  \else \ifx\@tmpb\empty%

+     \yl@xdiff=17

+     \yl@ydiff=33

+   \put(-300,420){\line(-4,-3){103}}%               %bond 8

+   \put(-420,310){\hbox to0pt{\hss \@memberb}}%     %atom 8

+  \else \if\@tmpb D%

+     \yl@xdiff=17

+     \yl@ydiff=50

+   \put(-300,432){\line(-5,-3){103}}%               %double bond 8

+   \put(-303,408){\line(-5,-3){103}}%               %double bond 8

+   \put(-420,310){\hbox to0pt{\hss \@memberb}}%     %atom 8

+  \fi\fi\fi\fi}

+%    \end{macrocode}

+%

+% \changes{v1.02}{1998/10/24}{A new command for setting substituents}
+%    \begin{macrocode}

+% %%%%%%%%%%%%%%%

+% % subst. on 9 %

+% %%%%%%%%%%%%%%%

+\def\@adamanei{%

+  \if\@tmpb a%

+     \yl@xdiff=-43

+     \yl@ydiff=93

+   \put(-180,420){\line(-4,-3){103}}%               %bond 9-ax

+   \put(-240,250){\hbox to0pt{\hss \@memberb}}%     %atom 9-ax

+  \else \if\@tmpb b%

+     \yl@xdiff=26

+     \yl@ydiff=-16

+   \put(-180,420){\line(1,4){26}}%                  %bond 9-eq

+   \put(-180,540){\hbox to0pt{\@memberb \hss}}%     %atom 9-eq

+  \else \ifx\@tmpb\empty%

+     \yl@xdiff=17

+     \yl@ydiff=93

+   \put(-180,420){\line(-4,-3){103}}%               %bond 9

+   \put(-300,250){\hbox to0pt{\hss \@memberb}}%     %atom 9

+  \else \if\@tmpb D%

+     \yl@xdiff=17

+     \yl@ydiff=113

+   \put(-183,432){\line(-5,-3){103}}%               %double bond 9

+   \put(-180,408){\line(-5,-3){103}}%               %double bond 9

+   \put(-300,250){\hbox to0pt{\hss \@memberb}}%     %atom 9

+  \fi\fi\fi\fi}

+%    \end{macrocode}

+%

+% \changes{v1.02}{1998/10/24}{A new command for setting substituents}
+%    \begin{macrocode}

+% %%%%%%%%%%%%%%%%

+% % subst. on 10 %

+% %%%%%%%%%%%%%%%%

+\def\@adamanej{%

+  \if\@tmpb a%

+     \yl@xdiff=43

+     \yl@ydiff=92

+  \put(180,420){\line(4,-3){103}}%                 %bond 10-ax

+  \put(240,250){\hbox to0pt{\@memberb  \hss}}%     %atom 10-ax

+  \else \if\@tmpb b%

+     \yl@xdiff=-26

+     \yl@ydiff=-16

+  \put(180,420){\line(-1,4){26}}%                  %bond 10-eq

+  \put(180,540){\hbox to0pt{\hss \@memberb}}%      %atom 10-eq

+  \else \ifx\@tmpb\empty%

+     \yl@xdiff=43

+     \yl@ydiff=92

+   \put(180,420){\line(4,-3){103}}%                %bond 10

+   \put(240,250){\hbox to0pt{\@memberb \hss}}%     %atom 10

+  \else \if\@tmpb D%

+     \yl@xdiff=3

+     \yl@ydiff=112

+   \put(176,432){\line(5,-3){103}}%                %double bond 10

+   \put(172,408){\line(5,-3){103}}%                %double bond 10

+   \put(280,250){\hbox to0pt{\@memberb \hss}}%     %atom 10

+  \fi\fi\fi\fi}

+%    \end{macrocode}

+% \end{macro}

+% \end{macro}

+% \end{macro}

+% \end{macro}

+% \end{macro}

+% \end{macro}

+% \end{macro}

+% \end{macro}

+% \end{macro}

+% \end{macro}

+%

+% The stereo-type skeleton of adamantane is selected 

+% to have the following specification.  The |\adamantane| 

+% command prints a vertical-type  formula in which two bridge carbons 

+% are placed at the top and the bottom. 

+%

+% \begin{verbatim}

+% *************************************************

+% * For preparing adamantane derivatives          *

+% *   with 4 substituents on bridgehead positions *

+% *         (1, 3, 5 and 7)                       *

+% *   with 12 substituents on bridge positions    *

+% *         (2, 4, 6, 8, 9, 10)                   *

+% *************************************************

+% \end{verbatim}

+%

+% The macro |\adamantane| has an argument |SUBSLIST| as well as an optional 

+% argument |BONDLIST|.  

+%

+% \begin{verbatim}

+%   \adamantane[BONDLIST]{SUBSLIST}          

+% \end{verbatim}

+%

+% The adamantane skeleton scarcely takes an inner (endcyclic) double bond.

+% Hence we have 

+% \begin{verbatim}

+%     BONDLIST: not effective

+% \end{verbatim}

+%

+% The |SUBSLIST| argument takes the standard format of \XyMTeX{}, in which 

+% more substitution descriptors are separated from each other 

+% by a semicolon.  

+% \begin{verbatim}

+%

+%     SUBSLIST: list of substituents (max 10 substitution positions)

+%

+%       for n = 1, 3, 5, and 7 (bridgeheads)

+%

+%           n or na    :  exocyclic single bond at n-atom

+%

+%       for n = 2, 4, 6, 8, 9, and 10 (bridges)

+%

+%           na         :  exocyclic single bond at n-atom (axial)

+%           nb         :  exocyclic single bond at n-atom (equatorial)

+%           nD         :  exocyclic double bond at n-atom (2 and 6)

+%

+% \end{verbatim}

+% 

+% For numbers larger than 9 (two digits), you should designate

+% the |SUBSLIST| as, e.g., 

+% \begin{verbatim}

+%             {{10}a}==Cl; ...

+% \end{verbatim}

+%

+% The definition of |\@adamantane| uses a picture environment, in which 

+% both bonds are substituents are put directly. 

+% \changes{v1.02}{1998/10/31}{Adding \cs{yladamanposition}, \cs{if@ylsw},

+% \cs{yl@shifti}, \cs{@ylii}, \cs{yl@shiftii}, \cs{@ylii}, 

+% \cs{yl@xdiff} and \cs{yl@ydiff}}

+%

+% \begin{macro}{\@adamantane}

+% \begin{macro}{\adamantane}

+%    \begin{macrocode}

+% \changes{v1.02}{1998/10/24}{The macros \cs{@adamanea} to \cs{@adamanej} 

+% are separated from the original definition of \cs{adamantane}.}

+\def\adamantane{\@ifnextchar[{\@mantane}{\@damantane[Z]}}

+\def\@damantane[#1]#2{%

+\@reset@ylsw%

+\yladamanposition{#2}%

+\def\@@ylii{0}\def\@@yli{0}%

+\if@ylsw

+ \yl@shiftii=\@ylii

+ \yl@shifti=\@yli

+ \advance\yl@shiftii\@@ylii

+ \advance\yl@shifti\@@yli

+ \advance\yl@shiftii\yl@xdiff

+ \advance\yl@shifti\yl@ydiff

+ \begin{picture}(0,0)(-\yl@shiftii,-\yl@shifti)

+\else

+ \begin{picture}(1100,1300)(-550,-300)

+  \iforigpt \put(-550,-300){\circle*{50}}%

+           \put(0,0){\circle{50}}% 

+   \typeout{command `adamantane' origin: (0,0) ---> (550,300)}

+  \fi%

+\fi

+%bonds for an adamantane skeleton

+  \put(0,0){\line(-1,4){60}}%                      %bond 6-7

+  \put(0,780){\line(2,-1){240}}%                   %bond 2-3

+  \put(0,780){\line(-2,-1){240}}%                  %bond 2-1

+  \put(-60,240){\line(-4,3){240}}%                 %bond 7-8

+  \put(-300,420){\line(1,4){60}}%                  %bond 8-1

+  \put(240,660){\line(-1,-4){60}}%                 %bond 3-10

+  \put(-60,240){\line(4,3){240}}%                  %bond 10-7

+{\thicklines%

+  \put(300,420){\line(-1,4){60}}%                  %bond 4-3

+  \put(-240,660){\line(1,-4){60}}%                 %bond 1-9

+  \put(0,0){\line(1,4){60}}%                       %bond 6-5

+  \put(60,240){\line(4,3){240}}%                   %bond 5-4

+  \put(60,240){\line(-4,3){240}}%                  %bond 5-9

+}%

+%substituents

+\@forsemicol\member:=#2\do{%

+\ifx\member\empty\else

+\expandafter\@m@mb@r\member;\relax%

+\expandafter\threech@r\@membera{}{}\relax%

+\ifx\@memberb\@yl\else

+\ifcase\@tmpa%0 omit

+\or\@adamanea% subst. on 1

+\or\@adamaneb% subst. on 2

+\or\@adamanec% subst. on 3

+\or\@adamaned% subst. on 4

+\or\@adamanee% subst. on 5

+\or\@adamanef% subst. on 6

+\or\@adamaneg% subst. on 7

+\or\@adamaneh% subst. on 8

+\or\@adamanei% subst. on 9

+\or\@adamanej% subst. on 10

+\fi%the end of ifcase

+\fi\fi}%

+\end{picture}}                          %end of \adamantane macro%

+%    \end{macrocode}

+% \end{macro}

+% \end{macro}

+%

+% The command |\yladamanposition| is to obtain the shift values 

+% |\@ylii| and |\@yli| which are used for shifting the standard 

+% point of a substituent. 

+% \changes{v1.02}{1998/10/23}{New commands for setting substituents}
+%

+% \begin{macro}{\yladamanposition}

+%    \begin{macrocode}

+\def\yladamanposition#1{%

+\@@ylswfalse%%%\@reset@ylsw

+\@forsemicol\member:=#1\do{%

+\if@@ylsw\else

+\ifx\member\empty\else

+\expandafter\@m@mb@r\member;\relax

+\expandafter\threech@r\@membera{}{}\relax

+\ifx\@memberb\@yl\relax\@@ylswtrue\else\@@ylswfalse\fi

+\if@@ylsw

+\ifcase\@tmpa%0 omit

+ \or\gdef\@ylii{240}\gdef\@yli{-660}\global\@ylswtrue% subst. on 1

+ \or\gdef\@ylii{0}\gdef\@yli{-780}\global\@ylswtrue% subst. on 2

+ \or\gdef\@ylii{-240}\gdef\@yli{-660}\global\@ylswtrue% subst. on 3

+ \or\gdef\@ylii{-300}\gdef\@yli{-420}\global\@ylswtrue% subst. on 4

+ \or\gdef\@ylii{-60}\gdef\@yli{-240}\global\@ylswtrue% subst. on 5

+ \or\gdef\@ylii{0}\gdef\@yli{0}\global\@ylswtrue% subst. on 6

+ \or\gdef\@ylii{60}\gdef\@yli{-240}\global\@ylswtrue% subst. on 7

+ \or\gdef\@ylii{300}\gdef\@yli{-420}\global\@ylswtrue% subst. on 8

+ \or\gdef\@ylii{180}\gdef\@yli{-420}\global\@ylswtrue% subst. on 9

+ \or\gdef\@ylii{-180}\gdef\@yli{-420}\global\@ylswtrue% subst. on 10

+\fi%end of ifcase

+\fi\fi\fi}}%

+%    \end{macrocode}

+% \end{macro}

+%

+% \subsection{Horizontal drawing}

+%

+% The stereo-type skeleton of adamantane is selected 

+% to have the following specification.  The |\hadamantane| 

+% command prints a horizontal-type formula in which one bridge-head carbon 

+% is put at the top position and a chair-form cyclohexane moiety is 

+% placed at the bottom position. 

+% 

+% \begin{verbatim}

+% ********************************************

+% * adamantane derivatives (horizontal type) *

+% ********************************************

+% The following numbering is adopted in this macro. 

+%

+%                1

+%           h //   `

+%           //i      ` a

+%          89          `

+%         g||            2

+%          ||j           | b

+%       f  7|   l     k  3

+%       *   |   ` 10  *

+%     6  *  5        * c

+%        e    d`  4

+% \end{verbatim}

+%

+% \begin{verbatim}

+% *************************************************

+% * For preparing adamantane derivatives          *

+% *   with 4 substituents on bridgehead positions *

+% *         (1, 3, 5 and 7)                       *

+% *   with 12 substituents on bridge positions    *

+% *         (2, 4, 6, 8, 9, 10)                   *

+% *************************************************

+% \end{verbatim}

+%

+% The macro |\hadamantane| has an argument |SUBSLIST| as well as an optional 

+% argument |BONDLIST|.  

+%

+% \begin{verbatim}

+%   \hadamantane[BONDLIST]{SUBSLIST}          

+% \end{verbatim}

+%

+% The adamantane skeleton scarcely takes an inner (endcyclic) double bond.

+% However, we can designate |BONDLIST|. (This point is different from the

+% specification of the |\adamantane| command.

+%

+% \begin{verbatim}

+%

+%     BONDLIST = 

+%

+%           none       :  adamantane skeleton

+%           a          :  1,2-double bond

+%           b          :  2,3-double bond

+%           c          :  3,4-double bond

+%           d          :  4,5-double bond

+%           e          :  5,6-double bond

+%           f          :  6,7-double bond

+%           g          :  7,8-double bond

+%           h          :  8,1-double bond

+%           i          :  9,1-double bond

+%           j          :  5,9-double bond

+%           k          :  3,10-double bond

+%           l          :  7,10-double bond

+%

+% \end{verbatim}

+%

+% The |SUBSLIST| argument takes the standard format of \XyMTeX{}, in which 

+% more substitution descriptors are separated from each other 

+% by a semicolon.  

+% \begin{verbatim}

+%

+%     SUBSLIST: list of substituents (max 10 substitution positions)

+%

+%       for n = 1, 3, 5, and 7 (bridgeheads)

+%

+%           n or na    :  exocyclic single bond at n-atom

+%

+%       for n = 2, 4, 6, 8, 9, and 10 (bridges)

+%

+%           na         :  exocyclic single bond at n-atom (axial)

+%           nb         :  exocyclic single bond at n-atom (equatorial)

+%           nD         :  exocyclic double bond at n-atom (2 and 6)

+%

+% \end{verbatim}

+%

+% Moreover, bond modifieer used for chair-form cyclohexanes 

+% such as $n$Sa and $n$Se (see above) can be also used in the |SUBSLIST| 

+% of the |\hdadamantane| command. 

+% 

+% For numbers larger than 9 (two digits), you should designate

+% the |SUBSLIST| as, e.g., 

+% \begin{verbatim}

+%             {{10}a}==Cl; ...

+% \end{verbatim}

+%

+% The definition of |\@hadamantane| uses a picture environment, in which 

+% bonds are put directly, while subsituents are typset by using 

+% the macro |\@chairiI| to |\@chairX| defined below. 

+% \changes{v1.02}{1998/10/31}{Adding \cs{ylhadamanposition}, \cs{if@ylsw},

+% \cs{yl@shifti}, \cs{@ylii}, \cs{yl@shiftii}, \cs{@ylii}, 

+% \cs{yl@xdiff} and \cs{yl@ydiff}}

+%

+% \begin{macro}{\@hadamantane}

+% \begin{macro}{\hadamantane}

+%    \begin{macrocode}

+% *************************

+% * input of basic macros *

+% *************************

+\def\hadamantane{\@ifnextchar[{\@hadamantane}{\@hadamantane[H]}}

+\def\@hadamantane[#1]#2{%

+\@reset@ylsw%

+\ylhadamanposition{#2}%

+\def\@@ylii{0}\def\@@yli{0}%

+\if@ylsw

+ \yl@shiftii=\@ylii

+ \yl@shifti=\@yli

+ \advance\yl@shiftii\@@ylii

+ \advance\yl@shifti\@@yli

+ \advance\yl@shiftii\yl@xdiff

+ \advance\yl@shifti\yl@ydiff

+ \begin{picture}(0,0)(-\yl@shiftii,-\yl@shifti)

+\else

+ \begin{picture}(1600,1400)(-400,-319)

+  \iforigpt \put(-400,-319){\circle*{50}}%

+           \put(0,0){\circle{50}}% 

+   \typeout{command `hadamantane' origin: (0,0) ---> (400,319)}

+  \fi%

+\fi

+   \thinlines%

+      \put(0,0){\line(3,4){170}}%          % bond 6 to 7

+      \put(170,226){\line(3,-1){403}}%     %      7 to 10

+      \put(573,91){\line(3,1){270}}%       %      10 to 3

+% %%%

+      \put(170,226){\line(0,1){360}}%      %      7 to 8

+      \put(170,586){\line(3,1){270}}%      %      8 to 1

+      \put(843,181){\line(0,1){360}}%      %      3 to 2

+      \put(843,541){\line(-3,1){403}}%     %      2 to 1

+   \thicklines%

+      \put(843,181){\line(-3,-4){170}}%    %      3 to 4

+      \put(673,-46){\line(-3,1){403}}%     %      4 to 5

+      \put(0,0){\line(3,1){270}}%          %      6 to 5

+% %%%

+      \put(270,90){\line(0,1){360}}%       %      5 to 9

+      \put(270,450){\line(3,4){170}}%      %      9 to 1

+   \thinlines%

+% inner double bonds

+\@tfor\member:=#1\do{%

+\if\member r%no endocyclic bonds

+\else \if\member a%

+      \put(450,636){\line(3,-1){373}}%     % double bond 1 to 2

+\else \if\member b%

+      \put(803,206){\line(0,1){320}}%      %             3 to 2

+\else \if\member c%%%a%

+       \put(767,139){\line(-3,-4){110}}%   %             3 to 4

+\else \if\member d%%%b%

+      \put(640,-5){\line(-3,1){343}}%      %             4 to 5

+\else \if\member e%%%%c%

+       \put(240,111){\line(-3,-1){190}}%   %             5 to 6

+\else \if\member f%%%d%

+      \put(63,40){\line(3,4){110}}%        %             6 to 7

+\else \if\member g%

+      \put(200,246){\line(0,1){320}}%      %             7 to 8

+\else \if\member h%

+       \put(400,626){\line(-3,-1){190}}%   %             8 to 1

+\else \if\member i%

+      \put(450,636){\line(-3,-4){150}}%    %             9 to 1

+\else \if\member j%

+      \put(300,110){\line(0,1){320}}%      %             5 to 9

+\else \if\member k%%%f%

+      \put(768,131){\line(-3,-1){170}}%    %             3 to 10

+\else \if\member l%

+      \put(182,187){\line(3,-1){343}}%     %             7 to 10

+\fi\fi\fi\fi\fi\fi%

+\fi\fi\fi\fi\fi\fi\fi}%

+% %

+\@forsemicol\member:=#2\do{%

+\ifx\member\empty\else

+\expandafter\@m@mb@r\member;\relax%

+\expandafter\threech@r\@membera{}{}%

+\ifx\@memberb\@yl\else

+\ifcase\@tmpa%                  %0 omit

+ \or \put(440,676){\@chairiI}%  %subst. on 1%%%9

+ \or \put(843,541){\@chairiII}% %subst. on 2%%10

+ \or \@chairiIII%               %subst. on 3%%%4

+ \or \@chairiIV%                %subst. on 4%%%3

+ \or \@chairiV%                 %subst. on 5%%%2

+ \or \@chairiVI%                %subst. on 6%%%1

+ \or \@chairiVII%               %subst. on 7%%%6

+ \or \put(170,586){\@chairiVIII}%subst. on 8%%%8

+ \or \put(270,450){\@chairiIX}% %subst. on 9%%%7

+ \or \@chairiX%                 %subst. on 10%%5

+\fi %end of ifcase

+\fi\fi%

+}\end{picture}}%               %end of \hadamantane macro

+% End of addition 1994/03/05 SF

+%    \end{macrocode}

+% \end{macro}

+% \end{macro}

+%

+% The command |\ylhadamanposition| is to obtain the shift values 

+% |\@ylii| and |\@yli| which are used for shifting the standard 

+% point of a substituent. 

+% \changes{v1.02}{1998/10/23}{New commands for setting substituents}
+%

+% \begin{macro}{\ylhadamanposition}

+%    \begin{macrocode}

+\def\ylhadamanposition#1{%

+\@@ylswfalse%%%\@reset@ylsw

+\@forsemicol\member:=#1\do{%

+\if@@ylsw\else

+\ifx\member\empty\else

+\expandafter\@m@mb@r\member;\relax

+\expandafter\threech@r\@membera{}{}\relax

+\ifx\@memberb\@yl\relax\@@ylswtrue\else\@@ylswfalse\fi

+\if@@ylsw

+\ifcase\@tmpa%0 omit

+ \or\gdef\@ylii{-440}\gdef\@yli{-676}\global\@ylswtrue% subst. on 1

+ \or\gdef\@ylii{-843}\gdef\@yli{-541}\global\@ylswtrue% subst. on 2

+ \or\gdef\@ylii{-843}\gdef\@yli{-181}\global\@ylswtrue% subst. on 3

+ \or\gdef\@ylii{-673}\gdef\@yli{46}\global\@ylswtrue% subst. on 4

+ \or\gdef\@ylii{-270}\gdef\@yli{-90}\global\@ylswtrue% subst. on 5

+ \or\gdef\@ylii{0}\gdef\@yli{0}\global\@ylswtrue% subst. on 6

+ \or\gdef\@ylii{-170}\gdef\@yli{-226}\global\@ylswtrue% subst. on 7

+ \or\gdef\@ylii{-170}\gdef\@yli{-586}\global\@ylswtrue% subst. on 8

+ \or\gdef\@ylii{-270}\gdef\@yli{-450}\global\@ylswtrue% subst. on 9

+ \or\gdef\@ylii{-573}\gdef\@yli{-91}\global\@ylswtrue% subst. on 10

+\fi%end of ifcase

+\fi\fi\fi}}%

+%    \end{macrocode}

+% \end{macro}

+%

+% Hereafter, the definitions of the commands |\@chairiI| to |\@chairiX| 

+% are described. Each of the commands can treat $n$a-type bond modifiers 

+% as well as $n$Sa-type bond modifiers. 

+%

+% \begin{macro}{\@chairiVI}

+% \changes{v1.02}{1998/10/31}{Adding \cs{yl@xdiff} and \cs{yl@ydiff}}
+%    \begin{macrocode}

+% ********************************************************

+% * treatment of the chair form (inverse) of cyclohexane *

+% *  added March 05, 1994 by Shinsaku Fujita             *

+% ********************************************************

+% %%%%%%%%%%%%%%%

+% % subst. on 6 %

+% %%%%%%%%%%%%%%%

+\def\@chairiVI{%

+   \if\@tmpb a%single bond

+     \yl@xdiff=42

+     \yl@ydiff=92

+           \put(0,0){\line(0,-1){168}}% single bond at 6 axial

+           \putlratom{-42}{-260}{\@memberb}% left & right type

+   \else\if\@tmpb b%single bond

+     \yl@xdiff=16

+     \yl@ydiff=36

+           \put(0,0){\line(-5,3){144}}% single bond at 6 equatorial

+           \putlatom{-160}{50}{\@memberb}% left type

+   \else\if\@tmpb S%single bond

+    \ifx\@tmpc\empty%

+     \yl@xdiff=10

+     \yl@ydiff=90

+           \put(0,0){\line(-1,-1){120}}% single bond at 6

+           \putlatom{-130}{-210}{\@memberb}% left type

+    \else\if\@tmpc a%(a) axial

+     \yl@xdiff=42

+     \yl@ydiff=92

+           \put(0,0){\line(0,-1){168}}% single bond at 6 axial

+           \putlratom{-42}{-260}{\@memberb}% left & right type

+    \else\if\@tmpc e%(e) beta

+     \yl@xdiff=16

+     \yl@ydiff=36

+           \put(0,0){\line(-5,3){144}}% single bond at 6 equatorial

+           \putlatom{-160}{50}{\@memberb}% left type

+    \fi\fi\fi%

+   \else \if\@tmpb D%double bond

+     \yl@xdiff=10

+     \yl@ydiff=90

+           \putlatom{-130}{-210}{\@memberb}% left type

+           \put(-10,10){\line(-1,-1){120}}% double bond at 6

+           \put(10,-10){\line(-1,-1){120}}% double bond at 6

+          \else%

+     \yl@xdiff=10

+     \yl@ydiff=90

+           \putlatom{-130}{-210}{\@memberb}% left type

+           \put(0,0){\line(-1,-1){120}}% single bond at 6

+   \fi\fi\fi\fi}%

+%    \end{macrocode}

+% \end{macro}

+%

+% \begin{macro}{\@chairiVII}

+% \changes{v1.02}{1998/10/31}{Adding \cs{yl@xdiff} and \cs{yl@ydiff}}
+%    \begin{macrocode}

+% %%%%%%%%%%%%%%%

+% % subst. on 7 %

+% %%%%%%%%%%%%%%%

+\def\@chairiVII{%

+   \if\@tmpb a%single bond

+     \yl@xdiff=26

+     \yl@ydiff=46

+           \put(170,226){\line(-5,-3){144}}% single bond at 7 equatorial

+           \putlatom{10}{94}{\@memberb}% left type

+   \else\ifx\@tmpb\empty%single bond

+     \yl@xdiff=26

+     \yl@ydiff=46

+           \put(170,226){\line(-5,-3){144}}% single bond at 7 equatorial

+           \putlatom{10}{94}{\@memberb}% left type

+   \else\if\@tmpb S%single bond

+    \ifx\@tmpc\empty%

+     \yl@xdiff=10

+     \yl@ydiff=30

+           \put(170,226){\line(-1,1){120}}% single bond at 7

+           \putratom{40}{316}{\@memberb}% left type

+    \else\if\@tmpc a%(a) axial

+     \yl@xdiff=32

+     \yl@ydiff=12

+           \put(170,226){\line(0,1){168}}% single bond at 7 axial

+           \putlratom{138}{406}{\@memberb}% left & right type

+    \else\if\@tmpc e%(e) beta

+     \yl@xdiff=26

+     \yl@ydiff=46

+           \put(170,226){\line(-5,-3){144}}% single bond at 7 equatorial

+           \putlatom{10}{94}{\@memberb}% left type

+    \fi\fi\fi%

+   \else \if\@tmpb D%double bond

+     \yl@xdiff=10

+     \yl@ydiff=30

+           \putlatom{40}{316}{\@memberb}% left type

+           \put(160,216){\line(-1,1){120}}% double bond at 7

+           \put(180,236){\line(-1,1){120}}% double bond at 7

+          \else%

+     \yl@xdiff=10

+     \yl@ydiff=30

+           \putlatom{40}{316}{\@memberb}% left type

+           \put(170,226){\line(-1,1){120}}% single bond at 7

+   \fi\fi\fi\fi}%

+%    \end{macrocode}

+% \end{macro}

+%

+% \begin{macro}{\@chairiX}

+% \changes{v1.02}{1998/10/31}{Adding \cs{yl@xdiff} and \cs{yl@ydiff}}
+%    \begin{macrocode}

+% %%%%%%%%%%%%%%%%

+% % subst. on 10 %

+% %%%%%%%%%%%%%%%%

+\def\@chairiX{%

+   \if\@tmpb a%single bond

+     \yl@xdiff=40

+     \yl@ydiff=104

+           \put(573,91){\line(0,-1){168}}% single bond at 5 axial

+           \putlratom{533}{-181}{\@memberb}% left type

+   \else\if\@tmpb b%single bond

+     \yl@xdiff=-36

+     \yl@ydiff=3

+           \put(573,91){\line(5,3){144}}% single bond at 5 equatorial

+           \putlatom{753}{180}{\@memberb}% left type

+   \else\if\@tmpb S%single bond

+    \ifx\@tmpc\empty%

+     \yl@xdiff=-10

+     \yl@ydiff=56

+           \put(573,91){\line(5,-4){170}}% single bond at 5

+           \putratom{753}{-101}{\@memberb}% right type

+    \else\if\@tmpc a%(a) axial

+     \yl@xdiff=40

+     \yl@ydiff=104

+           \put(573,91){\line(0,-1){168}}% single bond at 5 axial

+           \putlratom{533}{-181}{\@memberb}% left type

+    \else\if\@tmpc e%(e) beta

+     \yl@xdiff=-36

+     \yl@ydiff=3

+           \put(573,91){\line(5,3){144}}% single bond at 5 equatorial

+           \putlatom{753}{180}{\@memberb}% left type

+    \fi\fi\fi%

+   \else \if\@tmpb D%double bond

+     \yl@xdiff=10

+     \yl@ydiff=86

+           \putratom{733}{-141}{\@memberb}% right type

+           \put(563,83){\line(5,-4){170}}% double bond at 5

+           \put(583,99){\line(5,-4){170}}% double bond at 5

+          \else%

+     \yl@xdiff=-10

+     \yl@ydiff=76

+           \put(573,91){\line(5,-4){170}}% single bond at 5

+           \putratom{753}{-121}{\@memberb}% right type

+   \fi\fi\fi\fi}%

+%    \end{macrocode}

+% \end{macro}

+%

+% \begin{macro}{\@chairiIII}

+% \changes{v1.02}{1998/10/31}{Adding \cs{yl@xdiff} and \cs{yl@ydiff}}
+%    \begin{macrocode}

+% %%%%%%%%%%%%%%%

+% % subst. on 3 %

+% %%%%%%%%%%%%%%%

+\def\@chairiIII{%

+   \if\@tmpb a%single bond

+     \yl@xdiff=-16

+     \yl@ydiff=64

+           \put(843,181){\line(5,-3){144}}% single bond at 3 equatorial

+           \putratom{1003}{31}{\@memberb}% right type

+   \else\ifx\@tmpb\empty%single bond

+     \yl@xdiff=-16

+     \yl@ydiff=64

+           \put(843,181){\line(5,-3){144}}% single bond at 3 equatorial

+           \putratom{1003}{31}{\@memberb}% right type

+   \else\if\@tmpb S%single bond

+    \ifx\@tmpc\empty%

+     \yl@xdiff=10

+     \yl@ydiff=30

+           \put(843,181){\line(1,1){120}}% single bond at 3

+           \putratom{953}{271}{\@memberb}% right type

+    \else\if\@tmpc a%(a) axial

+     \yl@xdiff=42

+     \yl@ydiff=11

+           \put(843,181){\line(0,1){168}}% single bond at 3 axial

+           \putlratom{801}{360}{\@memberb}% left & right type

+    \else\if\@tmpc e%(e) beta

+     \yl@xdiff=-16

+     \yl@ydiff=64

+           \put(843,181){\line(5,-3){144}}% single bond at 3 equatorial

+           \putratom{1003}{31}{\@memberb}% right type

+    \fi\fi\fi%

+   \else \if\@tmpb D%double bond

+     \yl@xdiff=0

+     \yl@ydiff=30

+           \putratom{953}{271}{\@memberb}% right type

+           \put(833,191){\line(1,1){120}}% double bond at 3

+           \put(853,171){\line(1,1){120}}% double bond at 3

+          \else%

+     \yl@xdiff=10

+     \yl@ydiff=30

+           \put(843,181){\line(1,1){120}}% single bond at 3

+           \putratom{953}{271}{\@memberb}% right type

+   \fi\fi\fi\fi}%

+%    \end{macrocode}

+% \end{macro}

+%

+% \begin{macro}{\@chairiIV}

+% \changes{v1.02}{1998/10/31}{Adding \cs{yl@xdiff} and \cs{yl@ydiff}}
+%    \begin{macrocode}

+% %%%%%%%%%%%%%%%

+% % subst. on 4 %

+% %%%%%%%%%%%%%%%

+\def\@chairiIV{%

+   \if\@tmpb a%single bond

+     \yl@xdiff=40

+     \yl@ydiff=104

+           \put(673,-46){\line(0,-1){168}}% single bond at 4 axial

+           \putlratom{633}{-318}{\@memberb}% left & right type

+   \else\if\@tmpb b%single bond

+     \yl@xdiff=-6

+     \yl@ydiff=17

+           \put(673,-46){\line(5,3){144}}% single bond at 4 equatorial

+           \putratom{823}{23}{\@memberb}% right type

+   \else\if\@tmpb S%single bond

+    \ifx\@tmpc\empty%

+     \yl@xdiff=-10

+     \yl@ydiff=92

+           \put(673,-46){\line(1,-1){120}}% single bond at 4

+           \putratom{803}{-258}{\@memberb}% right type

+    \else\if\@tmpc a%(a) axial

+     \yl@xdiff=40

+     \yl@ydiff=104

+           \put(673,-46){\line(0,-1){168}}% single bond at 4 axial

+           \putlratom{633}{-318}{\@memberb}% left & right type

+    \else\if\@tmpc e%(e) beta

+     \yl@xdiff=-6

+     \yl@ydiff=17

+           \put(673,-46){\line(5,3){144}}% single bond at 4 equatorial

+           \putratom{823}{23}{\@memberb}% right type

+    \fi\fi\fi%

+   \else \if\@tmpb D%double bond

+     \yl@xdiff=-10

+     \yl@ydiff=92

+           \putratom{803}{-258}{\@memberb}%  right type

+           \put(663,-53){\line(1,-1){120}}% double bond at 4

+           \put(683,-38){\line(1,-1){120}}% double bond at 4

+          \else%

+     \yl@xdiff=-10

+     \yl@ydiff=76

+           \put(673,-46){\line(5,-4){170}}% single bond at 4

+           \putratom{853}{-258}{\@memberb}% right type

+   \fi\fi\fi\fi}%

+%    \end{macrocode}

+% \end{macro}

+%

+% \begin{macro}{\@chairiV}

+% \changes{v1.02}{1998/10/31}{Adding \cs{yl@xdiff} and \cs{yl@ydiff}}
+%    \begin{macrocode}

+% %%%%%%%%%%%%%%%

+% % subst. on 5 %

+% %%%%%%%%%%%%%%%

+\def\@chairiV{%

+   \if\@tmpb a%single bond

+     \yl@xdiff=26

+     \yl@ydiff=102

+           \put(270,90){\line(-5,-3){144}}% single bond at 5 equatorial

+           \putratom{100}{-98}{\@memberb}% left type

+   \else\ifx\@tmpb\empty%single bond

+     \yl@xdiff=26

+     \yl@ydiff=102

+           \put(270,90){\line(-5,-3){144}}% single bond at 5 equatorial

+           \putratom{100}{-98}{\@memberb}% left type

+   \else\if\@tmpb S%single bond

+    \ifx\@tmpc\empty%

+     \yl@xdiff=0

+     \yl@ydiff=46

+           \put(270,90){\line(-5,4){170}}% single bond at 5

+           \putlatom{100}{180}{\@memberb}% left type

+    \else\if\@tmpc a%(a) axial

+     \yl@xdiff=32

+     \yl@ydiff=12

+           \put(270,90){\line(0,1){168}}% single bond at 5 axial

+           \putlratom{238}{270}{\@memberb}% left type

+    \else\if\@tmpc e%(e) beta

+     \yl@xdiff=36

+     \yl@ydiff=102

+           \put(270,90){\line(-5,-3){144}}% single bond at 5 equatorial

+           \putratom{100}{-98}{\@memberb}% left type

+    \fi\fi\fi%

+   \else \if\@tmpb D%double bond

+     \yl@xdiff=0

+     \yl@ydiff=36

+           \putlatom{100}{200}{\@memberb}% left or right type

+           \put(260,80){\line(-5,4){170}}% double bond at 5

+           \put(280,100){\line(-5,4){170}}% double bond at 5

+          \else%

+     \yl@xdiff=0

+     \yl@ydiff=26

+           \putlatom{100}{200}{\@memberb}% left type

+           \put(270,90){\line(-5,4){170}}% single bond at 5

+   \fi\fi\fi\fi}%

+%    \end{macrocode}

+% \end{macro}

+%

+%

+% \begin{macro}{\@chairiI}

+% \changes{v1.02}{1998/10/31}{Adding \cs{yl@xdiff} and \cs{yl@ydiff}}
+%    \begin{macrocode}

+% %%%%%%%%%%%%%%%

+% % subst. on 1 %

+% %%%%%%%%%%%%%%%

+\def\@chairiI{%

+   \if\@tmpb a%single bond

+     \yl@xdiff=42

+     \yl@ydiff=-10

+           \put(0,0){\line(0,1){168}}% single bond at 1 axial

+           \putlratom{-42}{178}{\@memberb}% left & right type

+   \else\ifx\@tmpb\empty%

+     \yl@xdiff=42

+     \yl@ydiff=-10

+           \put(0,0){\line(0,1){168}}% single bond at 1 axial

+           \putlratom{-42}{178}{\@memberb}% left & right type

+   \else\if\@tmpb S%single bond

+    \ifx\@tmpc\empty%

+     \yl@xdiff=42

+     \yl@ydiff=-10

+           \put(0,0){\line(0,1){168}}% single bond at 1 axial

+           \putlratom{-42}{178}{\@memberb}% left & right type

+    \else\if\@tmpc a%(a) axial

+     \yl@xdiff=42

+     \yl@ydiff=-10

+           \put(0,0){\line(0,1){168}}% single bond at 1 axial

+           \putlratom{-42}{178}{\@memberb}% left & right type

+    \else\if\@tmpc e%(e) beta

+     \yl@xdiff=42

+     \yl@ydiff=-10

+           \put(0,0){\line(0,1){168}}% single bond at 1 axial

+           \putlratom{-42}{178}{\@memberb}% left & right type

+    \fi\fi\fi%

+  \else \if\@tmpb D%double bond

+     \yl@xdiff=42

+     \yl@ydiff=-10

+           \put(0,0){\line(0,1){168}}% single bond at 1 axial

+           \putlratom{-42}{178}{\@memberb}% left & right type

+          \else%

+     \yl@xdiff=42

+     \yl@ydiff=-10

+           \put(0,0){\line(0,1){168}}% single bond at 1 axial

+           \putlratom{-42}{178}{\@memberb}% left & right type

+   \fi\fi\fi\fi}%

+%    \end{macrocode}

+% \end{macro}

+%

+% \begin{macro}{\@chairiII}

+% \changes{v1.02}{1998/10/31}{Adding \cs{yl@xdiff} and \cs{yl@ydiff}}
+%    \begin{macrocode}

+% %%%%%%%%%%%%%%%%

+% % subst. on 2 %

+% %%%%%%%%%%%%%%%%

+\def\@chairiII{%

+   \if\@tmpb a%single bond

+     \yl@xdiff=-10

+     \yl@ydiff=13

+           \put(0,0){\line(3,1){190}}% single bond at 6 equatorial

+           \putratom{200}{50}{\@memberb}% right type

+   \else\if\@tmpb b%single bond

+     \yl@xdiff=-10

+     \yl@ydiff=0

+            \put(0,0){\line(3,4){120}}%          % bond 1 to 6

+            \putratom{130}{160}{\@memberb}% left type

+   \else\if\@tmpb S%single bond

+     \ifx\@tmpc\empty%

+     \yl@xdiff=-10

+     \yl@ydiff=-10

+           \put(0,0){\line(1,1){120}}% single bond at 1

+           \putratom{130}{130}{\@memberb}% left type

+      \else\if\@tmpc a%(a) axial

+     \yl@xdiff=-10

+     \yl@ydiff=0

+            \put(0,0){\line(3,4){120}}%          % bond 1 to 6

+            \putratom{130}{160}{\@memberb}% left type

+     \else\if\@tmpc e%(e) beta

+     \yl@xdiff=-10

+     \yl@ydiff=13

+           \put(0,0){\line(3,1){190}}% single bond at 6 equatorial

+           \putratom{200}{50}{\@memberb}% right type

+    \fi\fi\fi%

+   \else \if\@tmpb D%double bond

+     \yl@xdiff=-10

+     \yl@ydiff=-10

+           \putratom{130}{130}{\@memberb}% left type

+           \put(-10,10){\line(1,1){120}}% double bond at 1

+           \put(10,-10){\line(1,1){120}}% double bond at 1

+          \else%

+     \yl@xdiff=-10

+     \yl@ydiff=-10

+           \putratom{130}{130}{\@memberb}% left type

+           \put(0,0){\line(1,1){120}}% single bond at 1

+   \fi\fi\fi\fi}%

+%    \end{macrocode}

+% \end{macro}

+%

+% \begin{macro}{\@chairigVIII}

+% \changes{v1.02}{1998/10/31}{Adding \cs{yl@xdiff} and \cs{yl@ydiff}}
+%    \begin{macrocode}

+% %%%%%%%%%%%%%%%

+% % subst. on 8 %

+% %%%%%%%%%%%%%%%

+\def\@chairiVIII{%

+   \if\@tmpb a%single bond

+     \yl@xdiff=16

+     \yl@ydiff=36

+           \put(0,0){\line(-5,3){144}}% single bond at 1 equatorial

+           \putlatom{-160}{50}{\@memberb}% left type

+   \else\if\@tmpb b%single bond

+     \yl@xdiff=-10

+     \yl@ydiff=0

+            \put(0,0){\line(3,4){120}}%          % bond 1 to 6

+            \putratom{130}{160}{\@memberb}% left type

+   \else\if\@tmpb S%single bond

+    \ifx\@tmpc\empty%

+     \yl@xdiff=4

+     \yl@ydiff=36

+           \put(0,0){\line(-5,3){144}}% single bond at 1 equatorial

+           \putlatom{-140}{50}{\@memberb}% left type

+    \else\if\@tmpc e% right-hand

+     \yl@xdiff=-10

+     \yl@ydiff=0

+            \put(0,0){\line(3,4){120}}%          % bond 1 to 6

+            \putratom{130}{160}{\@memberb}% left type

+    \else\if\@tmpc a% left-hand

+     \yl@xdiff=16

+     \yl@ydiff=36

+           \put(0,0){\line(-5,3){144}}% single bond at 1 equatorial

+           \putlatom{-160}{50}{\@memberb}% left type

+    \fi\fi\fi%

+   \else \if\@tmpb D%double bond

+     \yl@xdiff=4

+     \yl@ydiff=26

+            \putlatom{-140}{60}{\@memberb}% left type

+           \put(10,10){\line(-5,3){144}}% single bond at 1 equatorial

+           \put(0,-10){\line(-5,3){144}}% single bond at 1 equatorial

+          \else%

+     \yl@xdiff=4

+     \yl@ydiff=36

+           \put(0,0){\line(-5,3){144}}% single bond at 1 equatorial

+           \putlatom{-140}{50}{\@memberb}% left type

+   \fi\fi\fi\fi}%

+%    \end{macrocode}

+% \end{macro}

+%

+% \begin{macro}{\@chairiIX}

+% \changes{v1.02}{1998/10/31}{Adding \cs{yl@xdiff} and \cs{yl@ydiff}}
+%    \begin{macrocode}

+% %%%%%%%%%%%%%%%

+% % subst. on 9 %

+% %%%%%%%%%%%%%%%

+\def\@chairiIX{%

+   \if\@tmpb a%single bond

+     \yl@xdiff=16

+     \yl@ydiff=36

+           \put(0,0){\line(-5,3){144}}% single bond at 1 equatorial

+           \putlatom{-160}{50}{\@memberb}% left type

+   \else\if\@tmpb b%single bond

+     \yl@xdiff=-16

+     \yl@ydiff=36

+           \put(0,0){\line(5,3){144}}% single bond at 6 equatorial

+           \putratom{160}{50}{\@memberb}% left type

+   \else\if\@tmpb S%single bond

+    \ifx\@tmpc\empty%

+     \yl@xdiff=4

+     \yl@ydiff=36

+           \put(0,0){\line(-5,3){144}}% single bond at 1 equatorial

+           \putlatom{-140}{50}{\@memberb}% left type

+    \else\if\@tmpc e% right-hand

+     \yl@xdiff=-16

+     \yl@ydiff=36

+           \put(0,0){\line(5,3){144}}% single bond at 6 equatorial

+           \putratom{160}{50}{\@memberb}% left type

+    \else\if\@tmpc a% left-hand

+     \yl@xdiff=16

+     \yl@ydiff=36

+           \put(0,0){\line(-5,3){144}}% single bond at 1 equatorial

+           \putlatom{-160}{50}{\@memberb}% left type

+    \fi\fi\fi%

+   \else \if\@tmpb D%double bond

+     \yl@xdiff=4

+     \yl@ydiff=36

+           \putlatom{-140}{50}{\@memberb}% left type

+           \put(10,10){\line(-5,3){144}}% single bond at 1 equatorial

+           \put(0,-10){\line(-5,3){144}}% single bond at 1 equatorial

+          \else%

+     \yl@xdiff=4

+     \yl@ydiff=36

+           \put(0,0){\line(-5,3){144}}% single bond at 1 equatorial

+           \putlatom{-140}{50}{\@memberb}% left type

+   \fi\fi\fi\fi}%

+%</ccycle>

+%    \end{macrocode}

+% \end{macro}

+%

+% \Finale

+%

+\endinput

+
\ No newline at end of file
diff --git a/Master/texmf-dist/source/latex/xymtex/chemist.drv b/Master/texmf-dist/source/latex/xymtex/chemist.drv
new file mode 100644
index 00000000000..1ad0e7b0143
--- /dev/null
+++ b/Master/texmf-dist/source/latex/xymtex/chemist.drv
@@ -0,0 +1,89 @@
+%%
+%% This is file `chemist.drv',
+%% generated with the docstrip utility.
+%%
+%% The original source files were:
+%%
+%% chemist.dtx  (with options: `driver')
+%% 
+%% This is a generated file.
+%% 
+%% Copyright 1996, 2000 by Shinsaku Fujita
+%% 
+%% This file is part of the ChemSci system.
+%% =======================================
+%% 
+%% Released on June 1, 1996
+%% Released on November 3, 2000 (v2.00a)
+%% 
+%% Copyright (C) 1996 by Shinsaku Fujita, all rights reserved.
+%% This style file is created for submitting a manuscript to
+%% scientific journals. This style file is to be contained in the
+%% ``chemist'' directory which is an input directory for TeX.
+%% 
+%% For using this file, see
+%%   Shinsaku Fujita, ``LaTeX for Chemists and Biochemists''
+%%   Tokyo Kagaku Dojin, Tokyo (1993), Chapter 16.
+%% 
+%% Copying of this file is authorized only if either
+%% 
+%%  (1) you make absolutely no changes to your copy, including name and
+%%      directory name
+%%  (2) if you do make changes,
+%%      (a) you name it something other than the names included in the
+%%          ``chemist'' directory and
+%%      (b) you acknowledge the original name.
+%%  This restriction ensures that all standard styles are identical.
+%% 
+%% =======================================
+%% 
+%% This file is a modification of latex.tex (LaTeX2.09) and of latex.ltx
+%% (a LaTeX2e), the reused parts of which is subject to
+%% Copyright 1994 the LaTeX3 project and the individual authors (For further
+%% copyright information see the file legal.txt of the LaTeX2e standard
+%% distribution, and any other copyright indicated in this file.)
+%% 
+%% \CharacterTable
+%%  {Upper-case    \A\B\C\D\E\F\G\H\I\J\K\L\M\N\O\P\Q\R\S\T\U\V\W\X\Y\Z
+%%   Lower-case    \a\b\c\d\e\f\g\h\i\j\k\l\m\n\o\p\q\r\s\t\u\v\w\x\y\z
+%%   Digits        \0\1\2\3\4\5\6\7\8\9
+%%   Exclamation   \!     Double quote  \"     Hash (number) \#
+%%   Dollar        \$     Percent       \%     Ampersand     \&
+%%   Acute accent  \'     Left paren    \(     Right paren   \)
+%%   Asterisk      \*     Plus          \+     Comma         \,
+%%   Minus         \-     Point         \.     Solidus       \/
+%%   Colon         \:     Semicolon     \;     Less than     \<
+%%   Equals        \=     Greater than  \>     Question mark \?
+%%   Commercial at \@     Left bracket  \[     Backslash     \\
+%%   Right bracket \]     Circumflex    \^     Underscore    \_
+%%   Grave accent  \`     Left brace    \{     Vertical bar  \|
+%%   Right brace   \}     Tilde         \~}
+%%
+%% `chemist.dtx' ver1.01a (for LaTeX2e) 1996/06/15
+%%  by Shinsaku Fujita
+%%
+\ProvidesFile{chemist.drv}
+         [2000/11/03 v2.00a
+     ChemSci package driver (English)
+ ]
+\documentclass{ltxdoc}
+\GetFileInfo{chemist.drv}
+\title{Chemist Package \space\fileversion}
+\author{Shinsaku Fujita \\
+Department of Chemistry and Materials Technology \\
+Kyoto Institute of Technology
+%% Ashigara Research Laboratories \\
+%% Fuji Photo Film Co. Ltd.
+}
+\date{\filedate}
+\begin{document}
+\maketitle
+\tableofcontents
+\DocInput{chemist.dtx}
+\end{document}
+\def\versi@ndate{November 3, 2000}
+\def\versi@nno{ver2.00a}
+\def\copyrighth@lder{SF} % Shinsaku Fujita
+\endinput
+%%
+%% End of file `chemist.drv'.
diff --git a/Master/texmf-dist/source/latex/xymtex/chemist.ins b/Master/texmf-dist/source/latex/xymtex/chemist.ins
new file mode 100644
index 00000000000..f43ac6a0280
--- /dev/null
+++ b/Master/texmf-dist/source/latex/xymtex/chemist.ins
@@ -0,0 +1,53 @@
+\def\batchfile{chemist.ins}

+\input docstrip.tex

+\preamble

+

+This is a generated file.

+

+Copyright 1996, 2000 by Shinsaku Fujita

+

+This file is part of the ChemSci system.

+=======================================

+

+Released on June 1, 1996 

+Released on November 3, 2000 (v2.00a) 

+

+Copyright (C) 1996 by Shinsaku Fujita, all rights reserved.

+This style file is created for submitting a manuscript to 

+scientific journals. This style file is to be contained in the 

+``chemist'' directory which is an input directory for TeX. 

+

+For using this file, see 

+  Shinsaku Fujita, ``LaTeX for Chemists and Biochemists'' 

+  Tokyo Kagaku Dojin, Tokyo (1993), Chapter 16. 

+

+Copying of this file is authorized only if either

+

+ (1) you make absolutely no changes to your copy, including name and 

+     directory name 

+ (2) if you do make changes, 

+     (a) you name it something other than the names included in the 

+         ``chemist'' directory and 

+     (b) you acknowledge the original name. 

+ This restriction ensures that all standard styles are identical.

+

+=======================================

+

+This file is a modification of latex.tex (LaTeX2.09) and of latex.ltx 

+(a LaTeX2e), the reused parts of which is subject to 

+Copyright 1994 the LaTeX3 project and the individual authors (For further 

+copyright information see the file legal.txt of the LaTeX2e standard 

+distribution, and any other copyright indicated in this file.)

+

+\endpreamble

+

+\keepsilent

+

+\generateFile{chemist.drv}{t}{%

+  \from{chemist.dtx}{driver}}

+

+\generateFile{chemist.sty}{t}{%

+  \from{chemist.dtx}{chemist}}

+

+\endinput

+
\ No newline at end of file
diff --git a/Master/texmf-dist/source/latex/xymtex/chemstr.drv b/Master/texmf-dist/source/latex/xymtex/chemstr.drv
new file mode 100644
index 00000000000..c9832eaad5a
--- /dev/null
+++ b/Master/texmf-dist/source/latex/xymtex/chemstr.drv
@@ -0,0 +1,82 @@
+%%
+%% This is file `chemstr.drv',
+%% generated with the docstrip utility.
+%%
+%% The original source files were:
+%%
+%% chemstr.dtx  (with options: `driver')
+%% 
+%% This is a generated file.
+%% 
+%% Copyright 1996, 1988 by Shinsaku Fujita
+%% 
+%% This file is part of the XyMTeX system.
+%% =======================================
+%% 
+%% Version 1.01 Released on August 16, 1996
+%% Version 1.02 Released on October 31, 1998 (private version)
+%% Version 2.00 Released on December 25, 1998
+%% 
+%% Copyright (C) 1996, 1998 by Shinsaku Fujita, all rights reserved.
+%% This style file is created for drawing chemical structural formulas
+%% This style file is to be contained in the ``xymtex'' directory which
+%% is an input directory for TeX.
+%% 
+%% Copying of this file is authorized only if either
+%% 
+%%  (1) you make absolutely no changes to your copy, including name and
+%%      directory name
+%%  (2) if you do make changes,
+%%      (a) you name it something other than the names included in the
+%%          ``xymtex'' directory and
+%%      (b) you acknowledge the original name.
+%%  This restriction ensures that all standard styles are identical.
+%% 
+%% =======================================
+%% 
+%% This file contains several codes modified from latex.tex (LaTeX2.09)
+%% and from latex.ltx (a LaTeX2e), the reused parts of which are subject to
+%% Copyright 1994 the LaTeX3 project and the individual authors (For further
+%% copyright information see the file legal.txt of the LaTeX2e standard
+%% distribution, and any other copyright indicated in this file.)
+%% 
+%% File: chemstr.dtx
+%% \CharacterTable
+%%  {Upper-case    \A\B\C\D\E\F\G\H\I\J\K\L\M\N\O\P\Q\R\S\T\U\V\W\X\Y\Z
+%%   Lower-case    \a\b\c\d\e\f\g\h\i\j\k\l\m\n\o\p\q\r\s\t\u\v\w\x\y\z
+%%   Digits        \0\1\2\3\4\5\6\7\8\9
+%%   Exclamation   \!     Double quote  \"     Hash (number) \#
+%%   Dollar        \$     Percent       \%     Ampersand     \&
+%%   Acute accent  \'     Left paren    \(     Right paren   \)
+%%   Asterisk      \*     Plus          \+     Comma         \,
+%%   Minus         \-     Point         \.     Solidus       \/
+%%   Colon         \:     Semicolon     \;     Less than     \<
+%%   Equals        \=     Greater than  \>     Question mark \?
+%%   Commercial at \@     Left bracket  \[     Backslash     \\
+%%   Right bracket \]     Circumflex    \^     Underscore    \_
+%%   Grave accent  \`     Left brace    \{     Vertical bar  \|
+%%   Right brace   \}     Tilde         \~}
+\NeedsTeXFormat{pLaTeX2e}
+\ProvidesFile{chemstr.dtx}[1998/12/25 v2.00 XyMTeX{} package file]
+\documentclass{ltxdoc}
+\GetFileInfo{chemstr.dtx}
+\def\UPSILON{\char'7}
+\def\XyM{X\kern-.30em\smash{%
+\raise.50ex\hbox{\UPSILON}}\kern-.30em{M}}
+\def\XyMTeX{\XyM\kern-.1em\TeX}
+\title{Basic Commands for Drawing  Chemical Structures
+by {\sffamily chemstr.sty}
+(\fileversion) of \XyMTeX{}}
+\author{Shinsaku Fujita \\
+Department of Chemistry and Materials Technology, \\
+Kyoto Institute of Technology, \\
+Matsugasaki, Sakyoku, Kyoto, 606 Japan
+}
+\date{\filedate}
+\begin{document}
+   \maketitle
+   \DocInput{chemstr.dtx}
+\end{document}
+\endinput
+%%
+%% End of file `chemstr.drv'.
diff --git a/Master/texmf-dist/source/latex/xymtex/chemstr.ins b/Master/texmf-dist/source/latex/xymtex/chemstr.ins
new file mode 100644
index 00000000000..09f26e8d7c9
--- /dev/null
+++ b/Master/texmf-dist/source/latex/xymtex/chemstr.ins
@@ -0,0 +1,50 @@
+\def\batchfile{chemstr.ins}

+\input docstrip.tex

+\preamble

+

+This is a generated file.

+

+Copyright 1996, 1988 by Shinsaku Fujita

+

+This file is part of the XyMTeX system.

+=======================================

+

+Version 1.01 Released on August 16, 1996

+Version 1.02 Released on October 31, 1998 (private version)

+Version 2.00 Released on December 25, 1998

+

+Copyright (C) 1996, 1998 by Shinsaku Fujita, all rights reserved.

+This style file is created for drawing chemical structural formulas 

+This style file is to be contained in the ``xymtex'' directory which 

+is an input directory for TeX. 

+

+Copying of this file is authorized only if either

+

+ (1) you make absolutely no changes to your copy, including name and 

+     directory name 

+ (2) if you do make changes, 

+     (a) you name it something other than the names included in the 

+         ``xymtex'' directory and 

+     (b) you acknowledge the original name. 

+ This restriction ensures that all standard styles are identical.

+

+=======================================

+

+This file contains several codes modified from latex.tex (LaTeX2.09) 

+and from latex.ltx (a LaTeX2e), the reused parts of which are subject to 

+Copyright 1994 the LaTeX3 project and the individual authors (For further 

+copyright information see the file legal.txt of the LaTeX2e standard 

+distribution, and any other copyright indicated in this file.)

+

+\endpreamble

+

+\keepsilent

+

+\generateFile{chemstr.drv}{t}{%

+  \from{chemstr.dtx}{driver}}

+

+\generateFile{chemstr.sty}{t}{%

+  \from{chemstr.dtx}{chemstr}}

+

+\endinput

+
\ No newline at end of file
diff --git a/Master/texmf-dist/source/latex/xymtex/doins.bat b/Master/texmf-dist/source/latex/xymtex/doins.bat
new file mode 100644
index 00000000000..38a90a2f401
--- /dev/null
+++ b/Master/texmf-dist/source/latex/xymtex/doins.bat
@@ -0,0 +1,14 @@
+platex aliphat.ins

+platex carom.ins

+platex ccycle.ins

+platex chemist.ins

+platex chemstr.ins

+platex hcycle.ins

+platex hetarom.ins

+platex hetaromh.ins

+platex locant.ins

+platex lowcycle.ins

+platex polymers.ins

+platex methylen.ins

+platex fusering.ins

+
\ No newline at end of file
diff --git a/Master/texmf-dist/source/latex/xymtex/fusering.drv b/Master/texmf-dist/source/latex/xymtex/fusering.drv
new file mode 100644
index 00000000000..937c74106ca
--- /dev/null
+++ b/Master/texmf-dist/source/latex/xymtex/fusering.drv
@@ -0,0 +1,80 @@
+%%
+%% This is file `fusering.drv',
+%% generated with the docstrip utility.
+%%
+%% The original source files were:
+%%
+%% fusering.dtx  (with options: `driver')
+%% 
+%% This is a generated file.
+%% 
+%% Copyright 1998 by Shinsaku Fujita
+%% 
+%% This file is part of the XyMTeX system.
+%% =======================================
+%% 
+%% Version 1.02 Released on October 31, 1998 (private version)
+%% Version 2.00 Released on December 25, 1998
+%% 
+%% Copyright (C) 1998 by Shinsaku Fujita, all rights reserved.
+%% This style file is created for drawing chemical structural formulas
+%% This style file is to be contained in the ``xymtex'' directory which
+%% is an input directory for TeX.
+%% 
+%% Copying of this file is authorized only if either
+%% 
+%%  (1) you make absolutely no changes to your copy, including name and
+%%      directory name
+%%  (2) if you do make changes,
+%%      (a) you name it something other than the names included in the
+%%          ``xymtex'' directory and
+%%      (b) you acknowledge the original name.
+%%  This restriction ensures that all standard styles are identical.
+%% 
+%% =======================================
+%% 
+%% This file contains several codes modified from latex.tex (LaTeX2.09)
+%% and from latex.ltx (a LaTeX2e), the reused parts of which are subject to
+%% Copyright 1994 the LaTeX3 project and the individual authors (For further
+%% copyright information see the file legal.txt of the LaTeX2e standard
+%% distribution, and any other copyright indicated in this file.)
+%% 
+%% File: fusering.dtx
+%% \CharacterTable
+%%  {Upper-case    \A\B\C\D\E\F\G\H\I\J\K\L\M\N\O\P\Q\R\S\T\U\V\W\X\Y\Z
+%%   Lower-case    \a\b\c\d\e\f\g\h\i\j\k\l\m\n\o\p\q\r\s\t\u\v\w\x\y\z
+%%   Digits        \0\1\2\3\4\5\6\7\8\9
+%%   Exclamation   \!     Double quote  \"     Hash (number) \#
+%%   Dollar        \$     Percent       \%     Ampersand     \&
+%%   Acute accent  \'     Left paren    \(     Right paren   \)
+%%   Asterisk      \*     Plus          \+     Comma         \,
+%%   Minus         \-     Point         \.     Solidus       \/
+%%   Colon         \:     Semicolon     \;     Less than     \<
+%%   Equals        \=     Greater than  \>     Question mark \?
+%%   Commercial at \@     Left bracket  \[     Backslash     \\
+%%   Right bracket \]     Circumflex    \^     Underscore    \_
+%%   Grave accent  \`     Left brace    \{     Vertical bar  \|
+%%   Right brace   \}     Tilde         \~}
+\NeedsTeXFormat{pLaTeX2e}
+\ProvidesFile{methylen.dtx}[1998/12/25 v2.00 XyMTeX{} package file]
+\documentclass{ltxdoc}
+\GetFileInfo{methylen.dtx}
+\def\UPSILON{\char'7}
+\def\XyM{X\kern-.30em\smash{%
+\raise.50ex\hbox{\UPSILON}}\kern-.30em{M}}
+\def\XyMTeX{\XyM\kern-.1em\TeX}
+\title{Fusing Ring Units by {\sffamily fusering.sty}
+(\fileversion) of \XyMTeX{}}
+\author{Shinsaku Fujita \\
+Department of Chemistry and Materials Technology, \\
+Kyoto Institute of Technology, \\
+Matsugasaki, Sakyoku, Kyoto, 606 Japan
+}
+\date{\filedate}
+\begin{document}
+   \maketitle
+   \DocInput{fusering.dtx}
+\end{document}
+\endinput
+%%
+%% End of file `fusering.drv'.
diff --git a/Master/texmf-dist/source/latex/xymtex/fusering.dtx b/Master/texmf-dist/source/latex/xymtex/fusering.dtx
new file mode 100644
index 00000000000..a7b6695ad70
--- /dev/null
+++ b/Master/texmf-dist/source/latex/xymtex/fusering.dtx
@@ -0,0 +1,4575 @@
+% \iffalse meta-comment
+%% File: fusering.dtx
+%
+%  Copyright 1998 by Shinsaku Fujita
+%
+%  This file is part of XyMTeX system.
+%  -------------------------------------
+%
+% This file is a part of the macro package ``XyMTeX'' which has been 
+% designed for typesetting chemical structural formulas.
+%
+% This file is to be contained in the ``xymtex'' directory which is 
+% an input directory for TeX. It is a LaTeX optional style file and 
+% should be used only within LaTeX, because several macros of the file 
+% are based on LaTeX commands. 
+%
+% For the review of XyMTeX, see
+%  (1)  Shinsaku Fujita, ``Typesetting structural formulas with the text
+%    formatter TeX/LaTeX'', Computers and Chemistry, in press.    
+% The following book deals with an application of TeX/LaTeX to 
+% preparation of manuscripts of chemical fields:
+%  (2)  Shinsaku Fujita, ``LaTeX for Chemists and Biochemists'' 
+%    Tokyo Kagaku Dozin, Tokyo (1993) [in Japanese].  
+%
+% Copying of this file is authorized only if either
+%  (1) you make absolutely no changes to your copy, including name and 
+%     directory name; or
+%  (2) if you do make changes, 
+%     (a) you name it something other than the names included in the 
+%         ``xymtex'' directory and 
+%     (b) you are requested to leave this notice intact.
+% This restriction ensures that all standard styles are identical.
+%
+% Please report any bugs, comments, suggestions, etc. to:
+%   Shinsaku Fujita, 
+%   Department of Chemistry and Materials Technology, 
+%   Kyoto Institute of Technology, \\
+%   Matsugasaki, Sakyoku, Kyoto, 606 Japan
+% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
+%
+% \fi
+%
+% \CheckSum{4211}
+%% \CharacterTable
+%%  {Upper-case    \A\B\C\D\E\F\G\H\I\J\K\L\M\N\O\P\Q\R\S\T\U\V\W\X\Y\Z
+%%   Lower-case    \a\b\c\d\e\f\g\h\i\j\k\l\m\n\o\p\q\r\s\t\u\v\w\x\y\z
+%%   Digits        \0\1\2\3\4\5\6\7\8\9
+%%   Exclamation   \!     Double quote  \"     Hash (number) \#
+%%   Dollar        \$     Percent       \%     Ampersand     \&
+%%   Acute accent  \'     Left paren    \(     Right paren   \)
+%%   Asterisk      \*     Plus          \+     Comma         \,
+%%   Minus         \-     Point         \.     Solidus       \/
+%%   Colon         \:     Semicolon     \;     Less than     \<
+%%   Equals        \=     Greater than  \>     Question mark \?
+%%   Commercial at \@     Left bracket  \[     Backslash     \\
+%%   Right bracket \]     Circumflex    \^     Underscore    \_
+%%   Grave accent  \`     Left brace    \{     Vertical bar  \|
+%%   Right brace   \}     Tilde         \~}
+%
+% \setcounter{StandardModuleDepth}{1}
+%
+% \StopEventually{}
+% \MakeShortVerb{\|}
+%
+% \iffalse
+% \changes{v2.00}{1998/12/25}{enhanced edition for LaTeX2e}
+% \fi
+%
+% \iffalse
+%<*driver>
+\NeedsTeXFormat{pLaTeX2e}
+% \fi
+\ProvidesFile{methylen.dtx}[1998/12/25 v2.00 XyMTeX{} package file]
+% \iffalse
+\documentclass{ltxdoc}
+\GetFileInfo{methylen.dtx}
+%
+% %%XyMTeX Logo: Definition 2%%%
+\def\UPSILON{\char'7}
+\def\XyM{X\kern-.30em\smash{%
+\raise.50ex\hbox{\UPSILON}}\kern-.30em{M}}
+\def\XyMTeX{\XyM\kern-.1em\TeX}
+% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
+\title{Fusing Ring Units by {\sffamily fusering.sty} 
+(\fileversion) of \XyMTeX{}}
+\author{Shinsaku Fujita \\ 
+Department of Chemistry and Materials Technology, \\
+Kyoto Institute of Technology, \\
+Matsugasaki, Sakyoku, Kyoto, 606 Japan
+}
+\date{\filedate}
+%
+\begin{document}
+   \maketitle
+   \DocInput{fusering.dtx}
+\end{document}
+%</driver>
+% \fi
+%
+% \section{Introduction}\label{methylen:intro}
+%
+% \subsection{Options for {\sffamily docstrip}}
+%
+% \DeleteShortVerb{\|}
+% \begin{center}
+% \begin{tabular}{|l|l|}
+% \hline
+% \emph{option} & \emph{function}\\ \hline
+% fusering & fusering.sty \\
+% driver & driver for this dtx file \\
+% \hline
+% \end{tabular}
+% \end{center}
+% \MakeShortVerb{\|}
+%
+% \subsection{Version Information}
+%
+%    \begin{macrocode}
+%<*fusering>
+\typeout{XyMTeX for Drawing Chemical Structural Formulas. Version 2.00}
+\typeout{       -- Released December 25, 1998 by Shinsaku Fujita}
+% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
+\def\j@urnalname{methylen}
+\def\versi@ndate{December 25, 1998}
+\def\versi@nno{ver2.00}
+\def\copyrighth@lder{SF} % Shinsaku Fujita
+% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
+\typeout{XyMTeX Macro File `\j@urnalname' (\versi@nno) <\versi@ndate>%
+\space[\copyrighth@lder]}
+%    \end{macrocode}
+%
+% \section{List of commands for fusering.sty}
+%
+% \begin{verbatim}
+% **********************************
+% * fusering.sty: list of commands * 
+% **********************************
+%
+%  <Six-membered fused ring units>
+%    \sixfusev       \@sixfusev        \sixfuseposv
+%    \sixfusevi      \@sixfusevi       \sixfuseposvi
+%    \sixfuseh       \@sixfuseh        \sixfuseposh
+%    \sixfusehi      \@sixfusehi       \sixfuseposhi
+%
+%  <Five-membered fused ring units>
+%    \fivefusev      \@fivefusev       \fivefuseposv
+%    \fivefusevi     \@fivefusevi      \fivefuseposvi
+%    \fivefuseh      \@fivefuseh       \fivefuseposh
+%    \fivefusehi     \@fivefusehi      \fivefuseposhi
+%
+%  <Four-membered fused ring units>
+%    \fourfuse       \@fourfuse        \fourfusepos
+%
+%  <Three-membered fused ring units>
+%    \threefusev     \@threefusev       \threefuseposv
+%    \threefusevi    \@threefusevi      \threefuseposvi
+%    \threefuseh     \@threefuseh       \threefuseposh
+%    \threefusehi    \@threefusehi      \threefuseposhi
+
+% \end{verbatim}
+%
+% \section{Input of basic macros}
+%
+% To assure the compatibility to \LaTeX{}2.09 (the native mode), 
+% the commands added by \LaTeXe{} have not been used in the resulting sty 
+% files ({\sf polymers.sty} for the present case).  Hence, the combination 
+% of |\input| and |\@ifundefined| is used to crossload sty 
+% files ({\sf chemstr.sty} etc. for the present case) in place of the 
+% |\RequirePackage| command of \LaTeXe{}. 
+%
+%    \begin{macrocode}
+% *************************
+% * input of basic macros *
+% *************************
+\@ifundefined{setsixringv}{\input chemstr.sty\relax}{}
+\@ifundefined{bzdrv}{\input carom.sty\relax}{}
+\@ifundefined{hbonde}{\input hetaromh.sty\relax}{}
+\@ifundefined{bonde}{\input hetarom.sty\relax}{}
+\unitlength=0.1pt
+%    \end{macrocode}
+%
+% \section{Six-Membered Fusing Units}
+% \subsection{Vertical Type}
+% 
+% The command |\sixfusev| produces a six-membered fusing unit 
+% of vertical type.  The structure produced lacks a given bond 
+% in order to realize ring fusion, which produces a new ring system. 
+% The following numbering is adopted in this macro. 
+% Note that the difference between |\sixfusev| and |\sixuniv|, 
+% the latter of which is designed as an inner command for giving 
+% a building block with no adjustment of attached sites, while 
+% the former has a function of such adjustment. 
+%
+% \begin{verbatim}
+% *****************************
+% * six-membered fusing unit  *
+% *  (vertical type)          *
+% *****************************
+%
+%          1
+%      f   *  a
+%     6  *   *  2
+%     d |     | b
+%       |     |
+%     5  *   *  3
+%       d  * c
+%          4 <===== the original point
+% \end{verbatim}
+%
+% The macro |\sixfusev| has three arguments |ATOMLIST|, |SUBSLIST| 
+% and |FUSE|  as well as an optional argument |BONDLIST|.  
+% Two optional arguments |SKBONDLIST| and |OMIT| are added to 
+% treat stereochemical information or other bond situations. 
+%
+% \begin{verbatim}
+%   \sixfusev(SKBONDLIST)[BONDLIST]{ATOMLIST}{SUBSLIST}{FUSE}[OMIT]
+% \end{verbatim}
+%
+% The |SKBONDLIST| argument contains pairs of two alphabets in 
+% parentheses, e.g. (\{bA\}\{fB\}).  Each pair contains a lowercase 
+% character selected from bond specifiers `a' to `f' and a uppercase
+% character `A' or `B'. 
+%
+% \begin{verbatim}
+%     SKBONDLIST =  
+%            A:      dotted bond for an alpha (down) bond
+%            B:      boldfaced bond for a beta (upper) bond
+%
+% \end{verbatim}
+%
+% The |BONDLIST| argument contains one 
+% character selected from a to f, each of which indicates the presence of 
+% an inner (endcyclic) double bond on the corresponding position. 
+% The option `$n+$' ($n=1$ to $6$) represents a plus charge on a hetero atom 
+% at the $n$-position. 
+%
+% \begin{verbatim}
+%     BONDLIST =
+%
+%           none       :  fully saturated
+%           a          :  1,2-double bond
+%           b          :  2,3-double bond
+%           c          :  4,3-double bond
+%           d          :  4,5-double bond
+%           e          :  5,6-double bond
+%           f          :  6,1-double bond
+%           {n+}       :  plus at the n-nitrogen atom (n = 1 to 6)
+% \end{verbatim}
+%
+% The |ATOMLIST| argument contains one or more heteroatom descriptors 
+% which are separated from each other by a semicolon.  Each heteroatom 
+% descriptor consists of a locant number and a heteroatom, 
+% where these are separated with a double equality symbol. 
+%
+% \begin{verbatim}
+%     ATOMLIST: list of heteroatoms (max 6 atoms)
+%
+%       for n = 1 to 6
+%
+%           n          : Hetero atom, e.g. N, O, etc. at n-position, 
+%                        e.g. 1==N for N at 1-position
+% \end{verbatim}
+%
+% The |SUBSLIST| argument contains one or more substitution descriptors 
+% which are separated from each other by a semicolon.  Each substitution 
+% descriptor has a locant number with a bond modifier and a substituent, 
+% where these are separated with a double equality symbol. 
+%
+% \begin{verbatim}
+%     SUBSLIST: list of substituents
+%
+%       for n = 1 to 6 
+%
+%           nD         :  exocyclic double bond at n-atom
+%           n or nS    :  exocyclic single bond at n-atom
+%           nA         :  alpha single bond at n-atom
+%           nB         :  beta single bond at n-atom
+%           nSA        :  alpha single bond at n-atom (boldface)
+%           nSB        :  beta single bond at n-atom (dotted line)
+%           nSa        :  alpha (not specified) single bond at n-atom
+%           nSb        :  beta (not specified) single bond at n-atom
+%
+%           nSd        :  alpha single bond at n-atom (dotted line) 
+%                           with an alternative direction to nSA 
+%           nSu        :  beta single bond at n-atom (boldface) 
+%                           with an alternative direction to nSB 
+%           nFA        :  alpha single bond at n-atom (dotted line) 
+%                           for ring fusion 
+%           nFB        :  beta single bond at n-atom (boldface) 
+%                           for ring fusion 
+%           nGA        :  alpha single bond at n-atom (dotted line) 
+%                           for the other ring fusion 
+%           nGB        :  beta single bond at n-atom (boldface) 
+%                           for the other ring fusion 
+% \end{verbatim}
+%
+% The argument |FUSE| represents one bond to be omitted. 
+% The omitted edge is regarded as a fused position. 
+%
+% \begin{verbatim}
+%     FUSE:  one bond omitted (a, b, c, d, e, or f)
+% \end{verbatim}
+%
+% The argument |OMIT| represents one or more bonds to be omitted. 
+% The omitted edges are regarded as non-fused positions. 
+%
+% \begin{verbatim}
+%     OMIT:  one or more bonds omitted (a, b, c, d, e, or f)
+% \end{verbatim}
+%
+% Several examples are shown as follows.
+% \begin{verbatim}
+%       e.g. 
+%        
+%        \sixfusev{1==N}{1==Cl;2==F}{e}
+% \end{verbatim}
+%
+% \changes{v2.00}{1998/12/25}{New command: \cs{sixfusev}} 
+%
+% \begin{macro}{\if@skbondlist}
+%    \begin{macrocode}
+%\newif\if@skbondlist
+%\@skbondlistfalse
+%    \end{macrocode}
+% \end{macro}% to hetarom.sty
+%
+% \begin{macro}{\sixfusev}
+% \begin{macro}{\@six@fusev}
+% \begin{macro}{\@six@@fusev}
+% \begin{macro}{\@sixfusev}
+%    \begin{macrocode}
+\def\sixfusev{\@ifnextchar({\@six@fusev(@}{\@six@fusev(@)}}
+\def\@six@fusev(#1){\@ifnextchar[{\@six@@fusev(#1)[@}%
+{\@six@@fusev(#1)[@]}}
+\def\@six@@fusev(#1)[#2]#3#4#5{\@ifnextchar[%
+{\@sixfusev(#1)[#2]{#3}{#4}{#5}[@}%
+{\@sixfusev(#1)[#2]{#3}{#4}{#5}[@]}}
+\def\@sixfusev(#1)[#2]#3#4#5[#6]{%
+% %%%%%%%%%%%%%%%%%%%%%%%%%%
+% % treatment of atom list %
+% %%%%%%%%%%%%%%%%%%%%%%%%%%
+\iniatom\iniflag%initialize%
+\test@vertix@sixv{#3}{a}{b}{c}{d}{e}{f}%
+% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
+% % adjustment of attached positions %
+% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
+\sixfuseposv{#5}%
+\if@sixfuseposv
+ \yl@shiftii=-\fuseAx
+ \yl@shifti=-\fuseAy
+ \advance\yl@shiftii\yl@xdiff
+ \advance\yl@shifti\yl@ydiff
+ \begin{picture}(0,0)(-\yl@shiftii,-\yl@shifti)
+ \reset@yl@xydiff%1999/1/6 by S. Fujita
+\else
+ \begin{picture}(800,880)(-\shiftii,-\shifti)%
+  \iforigpt \put(-\shiftii,-\shifti){\circle*{50}}%
+           \put(-\noshift,-\noshift){\circle{50}}% 
+   \typeout{command `sixfusev' origin: %
+    (\the\noshift,\the\noshift) ---> (\the\shiftii,\the\shifti)}\fi%
+\fi
+%    \end{macrocode}
+%
+%    \begin{macrocode}
+% %%%%%%%%%%%%%%%%%%
+% % outer skeleton %
+% %%%%%%%%%%%%%%%%%%
+% changed FUSE into a list 1993/11/21 by Shinsaku Fujita
+{%
+\resetbdsw%
+\@bond@fuse@omit{#5}{#6}%
+\set@skel@bond{#1}{a}{a}% bond between 1 and 2 \@aaa -> \skbonda etc
+\set@skel@bond{#1}{b}{b}% bond between 2 and 3 \@bbb -> \skbondb etc
+\set@skel@bond{#1}{c}{c}% bond between 3 and 4 \@ccc -> \skbondc etc
+\set@skel@bond{#1}{d}{d}% bond between 4 and 5 \@ddd -> \skbondd etc
+\set@skel@bond{#1}{e}{e}% bond between 5 and 6 \@eee -> \skbonde etc
+\set@skel@bond{#1}{f}{f}% bond between 6 and 1 \@fff -> \skbondf etc
+}%
+%    \end{macrocode}
+%
+%    \begin{macrocode}
+% %%%%%%%%%%%%%%%%%%%%%
+% % inner double bond %
+% %%%%%%%%%%%%%%%%%%%%%
+\@tfor\member:=#2\do{%
+\if\member r\relax%
+\else\if\member l\relax%
+\else\if\member a\relax% 
+  \bonda%
+\else\if\member b\relax% 
+   \bondb%
+\else\if\member c\relax%
+   \bondc%
+\else\if\member d\relax%
+   \bondd%
+\else\if\member e\relax%
+   \bonde%
+\else\if\member f\relax%
+   \bondf%
+\else\if\member A%left aromatic circle 
+  \put(0,203){\circle{240}}%               %circle
+% %%%%%%%%%%%%%%%%%%%%%%%%%
+% % inner bond attachment %
+% %%%%%%%%%%%%%%%%%%%%%%%%%
+\else \expandafter\twoCH@@R\member//%
+     \set@fusionadd@sixv
+\fi\fi\fi\fi\fi\fi\fi\fi\fi%
+}%
+%    \end{macrocode}
+%
+%    \begin{macrocode}
+% %%%%%%%%%%%%%%%%%%%%%%%%
+% % setting hetero atoms %
+% %%%%%%%%%%%%%%%%%%%%%%%%
+\set@hetatom@sixv{#3}{0}{0}{7}{0}%    %atom 1--6%
+% %%%%%%%%%%%%%%%%%%%%%%%%
+% % setting substituents %
+% %%%%%%%%%%%%%%%%%%%%%%%%
+\setsixringv{#4}{0}{0}{7}{0}%
+\end{picture}%
+\sixfuseposv{#5}%for FuseWaring when nested
+\iniatom\iniflag}%     %end of \sixfusev macro
+%    \end{macrocode}
+% \end{macro}
+% \end{macro}
+% \end{macro}
+% \end{macro}
+%
+% The macro |\sixfuseposv| is used in the definition of 
+% the |\sixfusev| macro to detect a fused edge, where 
+% the coordinates of a reference terminal (|\fuseAx| and |\fuseAy|) 
+% and of the other terminal of the edge (|\fuseBx| and |\fuseBy|) 
+% are given for the successive process of adjustment. 
+%
+% \begin{macro}{\if@sixfuseposv}
+% \begin{macro}{\sixfuseposv}
+%    \begin{macrocode}
+\newif\if@sixfuseposv \@sixfuseposvfalse
+\def\fuseAx{0}
+\def\fuseAy{0}
+\def\fuseBx{0}
+\def\fuseBy{0}
+\def\sixfuseposv#1{%
+\global\@sixfuseposvfalse
+{\resetbdsw%
+\@tfor\memBer:=#1\do{%
+\if\memBer a\relax
+ \if@sixfuseposv
+  \XyMTeXWarning{Double fused bond at bond `a'}%
+ \else
+  \gdef\fuseAx{0}\gdef\fuseAy{406}%
+  \gdef\fuseBx{171}\gdef\fuseBy{303}%
+  \global\@sixfuseposvtrue
+ \fi
+\fi%
+\if\memBer A\relax
+ \if@sixfuseposv
+  \XyMTeXWarning{Double fused bond at bond `A'}%
+ \else
+  \gdef\fuseBx{0}\gdef\fuseBy{406}%
+  \gdef\fuseAx{171}\gdef\fuseAy{303}%
+  \global\@sixfuseposvtrue
+ \fi
+\fi%
+\if\memBer b\relax
+ \if@sixfuseposv
+  \XyMTeXWarning{Double fused bond at bond `b'}%
+ \else
+  \gdef\fuseAx{171}\gdef\fuseAy{303}%
+  \gdef\fuseBx{171}\gdef\fuseBy{103}%
+  \global\@sixfuseposvtrue
+ \fi
+\fi%
+\if\memBer B\relax
+ \if@sixfuseposv
+  \XyMTeXWarning{Double fused bonds at bond `B'}%
+ \else
+  \gdef\fuseBx{171}\gdef\fuseBy{303}%
+  \gdef\fuseAx{171}\gdef\fuseAy{103}%
+  \global\@sixfuseposvtrue
+ \fi
+\fi%
+\if\memBer c\relax
+ \if@sixfuseposv
+  \XyMTeXWarning{Double fused bonds at bond `c'}%
+ \else
+  \gdef\fuseAx{171}\gdef\fuseAy{103}%
+  \gdef\fuseBx{0}\gdef\fuseBy{0}%
+  \global\@sixfuseposvtrue
+ \fi
+\fi%
+\if\memBer C\relax
+ \if@sixfuseposv
+  \XyMTeXWarning{Double fused bonds at bond `C'}%
+ \else
+  \gdef\fuseBx{171}\gdef\fuseBy{103}%
+  \gdef\fuseAx{0}\gdef\fuseAy{0}%
+  \global\@sixfuseposvtrue
+ \fi
+\fi%
+\if\memBer d\relax
+ \if@sixfuseposv
+  \XyMTeXWarning{Double fused bonds at bond `d'}%
+ \else
+  \gdef\fuseAx{0}\gdef\fuseAy{0}%
+  \gdef\fuseBx{-171}\gdef\fuseBy{103}%
+  \global\@sixfuseposvtrue
+ \fi
+\fi%
+\if\memBer D\relax
+ \if@sixfuseposv
+  \XyMTeXWarning{Double fused bonds at bond `D'}%
+ \else
+  \gdef\fuseBx{0}\gdef\fuseBy{0}%
+  \gdef\fuseAx{-171}\gdef\fuseAy{103}%
+  \global\@sixfuseposvtrue
+ \fi
+\fi%
+\if\memBer e\relax
+ \if@sixfuseposv
+  \XyMTeXWarning{Double fused bonds at bond `e'}%
+ \else
+  \gdef\fuseAx{-171}\gdef\fuseAy{103}%
+  \gdef\fuseBx{-171}\gdef\fuseBy{303}%
+  \global\@sixfuseposvtrue
+ \fi
+\fi%
+\if\memBer E\relax
+ \if@sixfuseposv
+  \XyMTeXWarning{Double fused bonds at bond `E'}%
+ \else
+  \gdef\fuseBx{-171}\gdef\fuseBy{103}%
+  \gdef\fuseAx{-171}\gdef\fuseAy{303}%
+  \global\@sixfuseposvtrue
+ \fi
+\fi%
+\if\memBer f\relax
+ \if@sixfuseposv
+  \XyMTeXWarning{Double fused bonds at bond `f'}%
+ \else
+  \gdef\fuseAx{-171}\gdef\fuseAy{303}%
+  \gdef\fuseBx{0}\gdef\fuseBy{406}%
+  \global\@sixfuseposvtrue
+ \fi
+\fi%
+\if\memBer F\relax
+ \if@sixfuseposv
+  \XyMTeXWarning{Double fused bonds at bond `F'}%
+ \else
+  \gdef\fuseBx{-171}\gdef\fuseBy{303}%
+  \gdef\fuseAx{0}\gdef\fuseAy{406}%
+  \global\@sixfuseposvtrue
+ \fi
+\fi}}}% end of the macro \sixfuseposv
+%    \end{macrocode}
+% \end{macro}
+% \end{macro}
+%
+% The macro |\@bond@fuse@omit| is used in |\sixfusev| etc. 
+% for detecting omitted bonds, where |\@aaa| etc. are empty if 
+% they are omitted. 
+%
+% \begin{macro}{\@bond@fuse@omit}
+%    \begin{macrocode}
+\def\@bond@fuse@omit#1#2{%
+\ifx#1a\relax\gdef\@aaa{}\fi
+\ifx#1b\relax\gdef\@bbb{}\fi
+\ifx#1c\relax\gdef\@ccc{}\fi
+\ifx#1d\relax\gdef\@ddd{}\fi
+\ifx#1e\relax\gdef\@eee{}\fi
+\ifx#1f\relax\gdef\@fff{}\fi
+\ifx#1A\relax\gdef\@aaa{}\fi
+\ifx#1B\relax\gdef\@bbb{}\fi
+\ifx#1C\relax\gdef\@ccc{}\fi
+\ifx#1D\relax\gdef\@ddd{}\fi
+\ifx#1E\relax\gdef\@eee{}\fi
+\ifx#1F\relax\gdef\@fff{}\fi
+%%%%
+\@tfor\memBer:=#2\do{%
+\if\memBer a\relax\gdef\@aaa{}%
+ \ifx#1a\relax
+  \XyMTeXWarning{Double spec. of bond `a' in FUSE and OMIT}\fi
+\fi%
+\if\memBer A\relax\gdef\@aaa{}%
+ \ifx#1a\relax
+  \XyMTeXWarning{Double spec. of bond `a' in FUSE and OMIT}\fi
+\fi%
+\if\memBer b\relax\gdef\@bbb{}%
+ \ifx#1b\relax
+  \XyMTeXWarning{Double spec. of bond `b' in FUSE and OMIT}\fi
+\fi%
+\if\memBer B\relax\gdef\@bbb{}%
+ \ifx#1b\relax
+  \XyMTeXWarning{Double spec. of bond `b' in FUSE and OMIT}\fi
+\fi%
+\if\memBer c\relax\gdef\@ccc{}%
+ \ifx#1c\relax
+  \XyMTeXWarning{Double spec. of bond `c' in FUSE and OMIT}\fi
+\fi%
+\if\memBer C\relax\gdef\@ccc{}%
+ \ifx#1c\relax
+  \XyMTeXWarning{Double spec. of bond `c' in FUSE and OMIT}\fi
+\fi%
+\if\memBer d\relax\gdef\@ddd{}%
+ \ifx#1d\relax
+  \XyMTeXWarning{Double spec. of bond `d' in FUSE and OMIT}\fi
+\fi%
+\if\memBer D\relax\gdef\@ddd{}%
+ \ifx#1d\relax
+  \XyMTeXWarning{Double spec. of bond `d' in FUSE and OMIT}\fi
+\fi%
+\if\memBer e\relax\gdef\@eee{}%
+ \ifx#1e\relax
+  \XyMTeXWarning{Double spec. of bond `e' in FUSE and OMIT}\fi
+\fi%
+\if\memBer E\relax\gdef\@eee{}%
+ \ifx#1e\relax
+  \XyMTeXWarning{Double spec. of bond `e' in FUSE and OMIT}\fi
+\fi%
+\if\memBer f\relax\gdef\@fff{}%
+ \ifx#1f\relax
+  \XyMTeXWarning{Double spec. of bond `f' in FUSE and OMIT}\fi
+\fi%
+\if\memBer F\relax\gdef\@fff{}%
+ \ifx#1f\relax
+  \XyMTeXWarning{Double spec. of bond `f' in FUSE and OMIT}\fi
+\fi%
+}}%
+%    \end{macrocode}
+% \end{macro}
+%
+% \subsection{Inverse Vertical Type}
+% 
+% The command |\sixfusevi| produces a six-membered fusing unit 
+% of vertical type.  The structure produced lacks a given bond 
+% in order to realize ring fusion, which produces a new ring system. 
+% The following numbering is adopted in this macro. 
+% Note that the difference between |\sixfusevi| and |\sixunivi|, 
+% the latter of which is designed as an inner command for giving 
+% a building block with no adjustment of attached sites, while 
+% the former has a function of such adjustment. 
+%
+% \begin{verbatim}
+% *****************************
+% * six-membered fusing unit  *
+% *  (inverse vertical type)  *
+% *****************************
+%
+%          4
+%       d  *  c
+%     5  *   *  3
+%     e |     | b
+%       |     |
+%     6  *   *  2
+%       f  * a
+%          1 <===== the original point
+% \end{verbatim}
+%
+% The macro |\sixfusevi| has three arguments |ATOMLIST|, |SUBSLIST| 
+% and |FUSE| as well as an optional argument |BONDLIST|.  
+% Two optional arguments |SKBONDLIST| and |OMIT| are added to 
+% treat stereochemical information or other bond situations. 
+%
+% \begin{verbatim}
+%   \sixfusevi(SKBONDLIST)[BONDLIST]{ATOMLIST}{SUBSLIST}{FUSE}[OMIT]
+% \end{verbatim}
+%
+% The |SKBONDLIST| argument contains pairs of two alphabets in 
+% parentheses, e.g. (\{bA\}\{fB\}).  Each pair contains a lowercase 
+% character selected from bond specifiers `a' to `f' and a uppercase
+% character `A' or `B'. 
+%
+% \begin{verbatim}
+%     SKBONDLIST =  
+%            A:      dotted bond for an alpha (down) bond
+%            B:      boldfaced bond for a beta (upper) bond
+% \end{verbatim}
+%
+% The |BONDLIST| argument contains one 
+% character selected from a to f, each of which indicates the presence of 
+% an inner (endcyclic) double bond on the corresponding position. 
+% The option `$n+$' ($n=1$ to $6$) represents a plus charge on a hetero atom 
+% at the $n$-position. 
+%
+% \begin{verbatim}
+%     BONDLIST =
+%
+%           none       :  fully saturated
+%           a          :  1,2-double bond
+%           b          :  2,3-double bond
+%           c          :  4,3-double bond
+%           d          :  4,5-double bond
+%           e          :  5,6-double bond
+%           f          :  6,1-double bond
+%           {n+}       :  plus at the n-nitrogen atom (n = 1 to 6)
+% \end{verbatim}
+%
+% The |ATOMLIST| argument contains one or more heteroatom descriptors 
+% which are separated from each other by a semicolon.  Each heteroatom 
+% descriptor consists of a locant number and a heteroatom, 
+% where these are separated with a double equality symbol. 
+%
+% \begin{verbatim}
+%     ATOMLIST: list of heteroatoms (max 6 atoms)
+%
+%       for n = 1 to 6
+%
+%           n          : Hetero atom, e.g. N, O, etc. at n-position, 
+%                        e.g. 1==N for N at 1-position
+% \end{verbatim}
+%
+% The |SUBSLIST| argument contains one or more substitution descriptors 
+% which are separated from each other by a semicolon.  Each substitution 
+% descriptor has a locant number with a bond modifier and a substituent, 
+% where these are separated with a double equality symbol. 
+%
+% \begin{verbatim}
+%     SUBSLIST: list of substituents
+%
+%       for n = 1 to 6 
+%
+%           nD         :  exocyclic double bond at n-atom
+%           n or nS    :  exocyclic single bond at n-atom
+%           nA         :  alpha single bond at n-atom
+%           nB         :  beta single bond at n-atom
+%           nSA        :  alpha single bond at n-atom (boldface)
+%           nSB        :  beta single bond at n-atom (dotted line)
+%           nSa        :  alpha (not specified) single bond at n-atom
+%           nSb        :  beta (not specified) single bond at n-atom
+%
+%           nSd        :  alpha single bond at n-atom (dotted line) 
+%                           with an alternative direction to nSA 
+%           nSu        :  beta single bond at n-atom (boldface) 
+%                           with an alternative direction to nSB 
+%           nFA        :  alpha single bond at n-atom (dotted line) 
+%                           for ring fusion 
+%           nFB        :  beta single bond at n-atom (boldface) 
+%                           for ring fusion 
+%           nGA        :  alpha single bond at n-atom (dotted line) 
+%                           for the other ring fusion 
+%           nGB        :  beta single bond at n-atom (boldface) 
+%                           for the other ring fusion 
+% \end{verbatim}
+%
+% The argument |FUSE| represents one bond to be omitted. 
+% The omitted edge is regarded as a fused position. 
+%
+% \begin{verbatim}
+%     FUSE:  one bond omitted (a, b, c, d, e, or f)
+% \end{verbatim}
+%
+% The argument |OMIT| represents one or more bonds to be omitted. 
+% The omitted edges are regarded as non-fused positions. 
+%
+% \begin{verbatim}
+%     OMIT:  one or more bonds omitted (a, b, c, d, e, or f)
+% \end{verbatim}
+%
+% Several examples are shown as follows.
+% \begin{verbatim}
+%       e.g. 
+%        
+%        \sixfusevi{1==N}{1==Cl;2==F}{e}
+% \end{verbatim}
+%
+% \changes{v2.00}{1998/12/25}{New command: \cs{sixfusevi}} 
+%
+% \begin{macro}{\sixfusevi}
+% \begin{macro}{\@six@fusevi}
+% \begin{macro}{\@six@@fusevi}
+% \begin{macro}{\@sixfusevi}
+%    \begin{macrocode}
+\def\sixfusevi{\@ifnextchar({\@six@fusevi(@}{\@six@fusevi(@)}}
+\def\@six@fusevi(#1){\@ifnextchar[{\@six@@fusevi(#1)[@}%
+{\@six@@fusevi(#1)[@]}}
+\def\@six@@fusevi(#1)[#2]#3#4#5{\@ifnextchar[%
+{\@sixfusevi(#1)[#2]{#3}{#4}{#5}[@}%
+{\@sixfusevi(#1)[#2]{#3}{#4}{#5}[@]}}
+\def\@sixfusevi(#1)[#2]#3#4#5[#6]{%
+% %%%%%%%%%%%%%%%%%%%%%%%%%%
+% % treatment of atom list %
+% %%%%%%%%%%%%%%%%%%%%%%%%%%
+\iniatom\iniflag%initialize%
+\test@vertix@sixv{#3}{d}{c}{b}{a}{f}{e}%
+% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
+% % adjustment of attached positions %
+% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
+\sixfuseposvi{#5}%
+\if@sixfuseposv
+ \yl@shiftii=-\fuseAx
+ \yl@shifti=-\fuseAy
+ \advance\yl@shiftii\yl@xdiff
+ \advance\yl@shifti\yl@ydiff
+ \begin{picture}(0,0)(-\yl@shiftii,-\yl@shifti)
+ \reset@yl@xydiff%1999/1/6 by S. Fujita
+\else
+ \begin{picture}(800,880)(-\shiftii,-\shifti)%
+  \iforigpt \put(-\shiftii,-\shifti){\circle*{50}}%
+           \put(-\noshift,-\noshift){\circle{50}}% 
+   \typeout{command `sixfusev' origin: %
+    (\the\noshift,\the\noshift) ---> (\the\shiftii,\the\shifti)}\fi%
+\fi
+%    \end{macrocode}
+%
+%    \begin{macrocode}
+% %%%%%%%%%%%%%%%%%%
+% % outer skeleton %
+% %%%%%%%%%%%%%%%%%%
+% changed FUSE into a list 1993/11/21 by Shinsaku Fujita
+{\resetbdsw%
+\@bond@fuse@omit{#5}{#6}%
+\set@skel@bond{#1}{a}{c}% bond between 1 and 2 \@aaa -> \skbondc etc
+\set@skel@bond{#1}{b}{b}% bond between 2 and 3 \@bbb -> \skbondb etc
+\set@skel@bond{#1}{c}{a}% bond between 3 and 4 \@ccc -> \skbonda etc
+\set@skel@bond{#1}{d}{f}% bond between 4 and 5 \@ddd -> \skbondf etc
+\set@skel@bond{#1}{e}{e}% bond between 5 and 6 \@eee -> \skbonde etc
+\set@skel@bond{#1}{f}{d}% bond between 6 and 1 \@fff -> \skbondd etc
+}%
+%    \end{macrocode}
+%
+%    \begin{macrocode}
+% %%%%%%%%%%%%%%%%%%%%%
+% % inner double bond %
+% %%%%%%%%%%%%%%%%%%%%%
+\@tfor\member:=#2\do{%
+\if\member r\relax%
+\else\if\member l\relax%
+\else\if\member a\relax% 
+  \bondc%
+\else\if\member b\relax% 
+   \bondb%
+\else\if\member c\relax%
+   \bonda%
+\else\if\member d\relax%
+   \bondf%
+\else\if\member e\relax%
+   \bonde%
+\else\if\member f\relax%
+   \bondd%
+\else\if\member A%left aromatic circle 
+  \put(0,203){\circle{240}}%               %circle
+% %%%%%%%%%%%%%%%%%%%%%%%%%
+% % inner bond attachment %
+% %%%%%%%%%%%%%%%%%%%%%%%%%
+\else \expandafter\twoCH@@R\member//%
+     \set@fusionadd@sixvi
+\fi\fi\fi\fi\fi\fi\fi\fi\fi%
+}%
+%    \end{macrocode}
+%
+%    \begin{macrocode}
+% %%%%%%%%%%%%%%%%%%%%%%%%
+% % setting hetero atoms %
+% %%%%%%%%%%%%%%%%%%%%%%%%
+\set@hetatom@sixv{#3}{5}{0}{5}{-1}%    %atom 1--4%
+\set@hetatom@sixv{#3}{11}{4}{7}{-1}%   %atom 5 and 6%
+% %%%%%%%%%%%%%%%%%%%%%%%%
+% % setting substituents %
+% %%%%%%%%%%%%%%%%%%%%%%%%
+\setsixringv{#4}{5}{0}{5}{-1}%    %subst 1--4
+\setsixringv{#4}{11}{4}{7}{-1}%   %subst 5 and 6
+\end{picture}%
+\sixfuseposvi{#5}%%for FuseWaring when nested
+\iniatom\iniflag}%     %end of \sixfusevi macro
+%    \end{macrocode}
+% \end{macro}
+% \end{macro}
+% \end{macro}
+% \end{macro}
+%
+% The macro |\sixfuseposvi| is used in the definition of 
+% the |\sixfusevi| macro to detect a fused edge, where 
+% the coordinates of a reference terminal (|\fuseAx| and |\fuseAy|) 
+% and of the other terminal of the edge (|\fuseBx| and |\fuseBy|) 
+% are given for the successive process of adjustment. 
+%
+% \begin{macro}{\sixfuseposvi}
+%    \begin{macrocode}
+\def\sixfuseposvi#1{%
+\global\@sixfuseposvfalse
+{\resetbdsw%
+\@tfor\memBer:=#1\do{%
+\if\memBer c\relax
+ \if@sixfuseposv
+  \XyMTeXWarning{Double fused bonds at bond `c'}%
+ \else
+  \gdef\fuseBx{0}\gdef\fuseBy{406}%
+  \gdef\fuseAx{171}\gdef\fuseAy{303}%
+  \global\@sixfuseposvtrue
+ \fi
+\fi%
+\if\memBer C\relax
+ \if@sixfuseposv
+  \XyMTeXWarning{Double fused bonds at bond `C'}%
+ \else
+  \gdef\fuseAx{0}\gdef\fuseAy{406}%
+  \gdef\fuseBx{171}\gdef\fuseBy{303}%
+  \global\@sixfuseposvtrue
+ \fi
+\fi%
+\if\memBer b\relax
+ \if@sixfuseposv
+  \XyMTeXWarning{Double fused bonds at bond `b'}%
+ \else
+  \gdef\fuseBx{171}\gdef\fuseBy{303}%
+  \gdef\fuseAx{171}\gdef\fuseAy{103}%
+  \global\@sixfuseposvtrue
+ \fi
+\fi%
+\if\memBer B\relax
+ \if@sixfuseposv
+  \XyMTeXWarning{Double fused bonds at bond `B'}%
+ \else
+  \gdef\fuseAx{171}\gdef\fuseAy{303}%
+  \gdef\fuseBx{171}\gdef\fuseBy{103}%
+  \global\@sixfuseposvtrue
+ \fi
+\fi%
+\if\memBer a\relax
+ \if@sixfuseposv
+  \XyMTeXWarning{Double fused bonds at bond `a'}%
+ \else
+  \gdef\fuseBx{171}\gdef\fuseBy{103}%
+  \gdef\fuseAx{0}\gdef\fuseAy{0}%
+  \global\@sixfuseposvtrue
+ \fi
+\fi%
+\if\memBer A\relax
+ \if@sixfuseposv
+  \XyMTeXWarning{Double fused bonds at bond `A'}%
+ \else
+  \gdef\fuseAx{171}\gdef\fuseAy{103}%
+  \gdef\fuseBx{0}\gdef\fuseBy{0}%
+  \global\@sixfuseposvtrue
+ \fi
+\fi%
+\if\memBer f\relax
+ \if@sixfuseposv
+  \XyMTeXWarning{Double fused bonds at bond `f'}%
+ \else
+  \gdef\fuseBx{0}\gdef\fuseBy{0}%
+  \gdef\fuseAx{-171}\gdef\fuseAy{103}%
+  \global\@sixfuseposvtrue
+ \fi
+\fi%
+\if\memBer F\relax
+ \if@sixfuseposv
+  \XyMTeXWarning{Double fused bonds at bond `F'}%
+ \else
+  \gdef\fuseAx{0}\gdef\fuseAy{0}%
+  \gdef\fuseBx{-171}\gdef\fuseBy{103}%
+  \global\@sixfuseposvtrue
+ \fi
+\fi%
+\if\memBer e\relax
+ \if@sixfuseposv
+  \XyMTeXWarning{Double fused bonds at bond `e'}%
+ \else
+  \gdef\fuseBx{-171}\gdef\fuseBy{103}%
+  \gdef\fuseAx{-171}\gdef\fuseAy{303}%
+  \global\@sixfuseposvtrue
+ \fi
+\fi%
+\if\memBer E\relax
+ \if@sixfuseposv
+  \XyMTeXWarning{Double fused bonds at bond `E'}%
+ \else
+  \gdef\fuseAx{-171}\gdef\fuseAy{103}%
+  \gdef\fuseBx{-171}\gdef\fuseBy{303}%
+  \global\@sixfuseposvtrue
+ \fi
+\fi%
+\if\memBer d\relax
+ \if@sixfuseposv
+  \XyMTeXWarning{Double fused bonds at bond `d'}%
+ \else
+  \gdef\fuseBx{-171}\gdef\fuseBy{303}%
+  \gdef\fuseAx{0}\gdef\fuseAy{406}%
+  \global\@sixfuseposvtrue
+ \fi
+\fi%
+\if\memBer D\relax
+ \if@sixfuseposv
+  \XyMTeXWarning{Double fused bonds at bond `D'}%
+ \else
+  \gdef\fuseAx{-171}\gdef\fuseAy{303}%
+  \gdef\fuseBx{0}\gdef\fuseBy{406}%
+  \global\@sixfuseposvtrue
+ \fi
+\fi%
+}}}% end of the macro \sixfuseposvi
+%    \end{macrocode}
+% \end{macro}
+%
+% \subsection{Normal Horizontal Type}
+% 
+% The command |\sixfuseh| produces a six-membered fusing unit 
+% of horizontal type.  The structure produced lacks a given bond 
+% in order to realize ring fusion, which produces a new ring system. 
+% The following numbering is adopted in this macro. 
+% Note that the difference between |\sixfuseh| and |\sixunih|, 
+% the latter of which is designed as an inner command for giving 
+% a building block with no adjustment of attached sites, while 
+% the former has a function of such adjustment. 
+%
+% \begin{verbatim}
+% *****************************
+% * six-membered fusing unit  *
+% *     (horizontal type)     *
+% *****************************
+%                                   b
+%                                2      3  
+%                            a    -----    c
+%                               *       *
+%   the original point ===> 1 *           * 4
+%          (0,0)                *       *  d
+%                            f    -----
+%                                6      5 
+%                                   e
+% \end{verbatim}
+%
+% The macro |\sixfuseh| has three arguments |ATOMLIST|, |SUBSLIST| 
+% and |FUSE| as well as an optional argument |BONDLIST|. 
+% Two optional arguments |SKBONDLIST| and |OMIT| are added to 
+% treat stereochemical information or other bond situations. 
+%
+% \begin{verbatim}
+%   \sixfuseh(SKBONDLIST)[BONDLIST]{ATOMLIST}{SUBSLIST}{FUSE}[OMIT]
+% \end{verbatim}
+%
+% The |SKBONDLIST| argument contains pairs of two alphabets in 
+% parentheses, e.g. (\{bA\}\{fB\}).  Each pair contains a lowercase 
+% character selected from bond specifiers `a' to `f' and a uppercase
+% character `A' or `B'. 
+%
+% The |BONDLIST| argument contains one 
+% character selected from a to f, each of which indicates the presence of 
+% an inner (endcyclic) double bond on the corresponding position. 
+% The option `$n+$' ($n=1$ to $6$) represents a plus charge on a hetero atom 
+% at the $n$-position. 
+%
+% \begin{verbatim}
+%     BONDLIST = 
+%
+%           none       :  fully saturated
+%           a          :  1,2-double bond
+%           b          :  2,3-double bond
+%           c          :  4,3-double bond
+%           d          :  4,5-double bond
+%           e          :  5,6-double bond
+%           f          :  6,1-double bond
+%           {n+}       :  plus at the n-nitrogen atom (n = 1 to 6)
+% \end{verbatim}
+%
+% The |ATOMLIST| argument contains one or more heteroatom descriptors 
+% which are separated from each other by a semicolon.  Each heteroatom 
+% descriptor consists of a locant number and a heteroatom, 
+% where these are separated with a double equality symbol. 
+%
+% \begin{verbatim}
+%     ATOMLIST: list of heteroatoms (max 6 atoms)
+%
+%       for n = 1 to 6
+%
+%           n          : Hetero atom, e.g. N, O, etc. at n-position, 
+%                        e.g. 1==N for N at 1-position
+% \end{verbatim}
+%
+% The |SUBSLIST| argument contains one or more substitution descriptors 
+% which are separated from each other by a semicolon.  Each substitution 
+% descriptor has a locant number with a bond modifier and a substituent, 
+% where these are separated with a double equality symbol. 
+%
+% \begin{verbatim}
+%     SUBSLIST: list of substituents
+%
+%       for n = 1 to 6 
+%
+%           nD         :  exocyclic double bond at n-atom
+%           n or nS    :  exocyclic single bond at n-atom
+%           nA         :  alpha single bond at n-atom
+%           nB         :  beta single bond at n-atom
+%           nSA        :  alpha single bond at n-atom (boldface)
+%           nSB        :  beta single bond at n-atom (dotted line)
+%           nSa        :  alpha (not specified) single bond at n-atom
+%           nSb        :  beta (not specified) single bond at n-atom
+%
+%           nSd        :  alpha single bond at n-atom (dotted line) 
+%                           with an alternative direction to nSA 
+%           nSu        :  beta single bond at n-atom (boldface) 
+%                           with an alternative direction to nSB 
+%           nFA        :  alpha single bond at n-atom (dotted line) 
+%                           for ring fusion 
+%           nFB        :  beta single bond at n-atom (boldface) 
+%                           for ring fusion 
+%           nGA        :  alpha single bond at n-atom (dotted line) 
+%                           for the other ring fusion 
+%           nGB        :  beta single bond at n-atom (boldface) 
+%                           for the other ring fusion 
+% \end{verbatim}
+%
+% The argument |FUSE| represents one bond to be omitted. 
+% The omitted edge is regarded as a fused position. 
+%
+% \begin{verbatim}
+%     FUSE:  one bond omitted (a, b, c, d, e, or f)
+% \end{verbatim}
+%
+% The argument |OMIT| represents one or more bonds to be omitted. 
+% The omitted edges are regarded as non-fused positions. 
+%
+% \begin{verbatim}
+%     OMIT:  one or more bonds omitted (a, b, c, d, e, or f)
+% \end{verbatim}
+%
+% Several examples are shown as follows.
+% \begin{verbatim}
+%       e.g. 
+%        
+%        \sixfuseh{1==N}{1==Cl;2==F}{e}
+% \end{verbatim}
+%
+% The definition of |\sixfuseh| uses a picture environment and 
+% consists of the same unit processes as shown in |\sixheteroh|: 
+% \begin{enumerate}
+% \item treatment of atom list, 
+% \item placing outer skeletons, 
+% \item placing inner double bonds, 
+% \item setting hetero atoms, and 
+% \item placing substituents by using |\setsixringh|. 
+% \end{enumerate}
+% \changes{v2.00}{1998/12/29}{New command: \cs{sixfuseh}} 
+%
+% \begin{macro}{\sixfuseh}
+% \begin{macro}{\@six@fuseh}
+% \begin{macro}{\@six@@fuseh}
+% \begin{macro}{\@sixfuseh}
+%    \begin{macrocode}
+\def\sixfuseh{\@ifnextchar({\@six@fuseh(@}{\@six@fuseh(@)}}
+\def\@six@fuseh(#1){\@ifnextchar[{\@six@@fuseh(#1)[@}%
+{\@six@@fuseh(#1)[@]}}
+\def\@six@@fuseh(#1)[#2]#3#4#5{\@ifnextchar[%
+{\@sixfuseh(#1)[#2]{#3}{#4}{#5}[@}%
+{\@sixfuseh(#1)[#2]{#3}{#4}{#5}[@]}}
+\def\@sixfuseh(#1)[#2]#3#4#5[#6]{%
+%    \end{macrocode}
+%
+%    \begin{macrocode}
+% %%%%%%%%%%%%%%%%%%%%%%%%%%
+% % treatment of atom list %
+% %%%%%%%%%%%%%%%%%%%%%%%%%%
+\iniatom\iniflag%initialize%
+\test@vrtx@sixh{#3}%
+% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
+% % adjustment of attached positions %
+% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
+\sixfuseposh{#5}%
+\if@sixfuseposv
+ \yl@shiftii=-\fuseAx
+ \yl@shifti=-\fuseAy
+ \advance\yl@shiftii\yl@xdiff
+ \advance\yl@shifti\yl@ydiff
+ \begin{picture}(0,0)(-\yl@shiftii,-\yl@shifti)
+ \reset@yl@xydiff%1999/1/6 by S. Fujita
+\else
+ \begin{picture}(800,880)(-240,-400)%
+  \iforigpt \put(-\shifti,-\shiftii){\circle*{50}}%
+           \put(-\noshift,-\noshift){\circle{50}}% 
+   \typeout{command `sixunith' origin: %
+    (\the\noshift,\the\noshift) ---> (\the\shifti,\the\shiftii)}\fi%
+\fi
+%    \end{macrocode}
+%
+%    \begin{macrocode}
+% %%%%%%%%%%%%%%%%%%
+% % outer skeleton %
+% %%%%%%%%%%%%%%%%%%
+% changed FUSE into a list 1993/11/21 by Shinsaku Fujita
+{\resetbdsw%
+\@bond@fuse@omit{#5}{#6}%
+\set@skel@bondh{#1}{a}{a}% bond between 1 and 2 \@aaa -> \hskbonda etc
+\set@skel@bondh{#1}{b}{b}% bond between 2 and 3 \@bbb -> \hskbondb etc
+\set@skel@bondh{#1}{c}{c}% bond between 3 and 4 \@ccc -> \hskbondc etc
+\set@skel@bondh{#1}{d}{d}% bond between 4 and 5 \@ddd -> \hskbondd etc
+\set@skel@bondh{#1}{e}{e}% bond between 5 and 6 \@eee -> \hskbonde etc
+\set@skel@bondh{#1}{f}{f}% bond between 6 and 1 \@fff -> \hskbondf etc
+}%
+%    \end{macrocode}
+%
+%    \begin{macrocode}
+% %%%%%%%%%%%%%%%%%%%%%
+% % inner double bond %
+% %%%%%%%%%%%%%%%%%%%%%
+\@tfor\member:=#2\do{%
+\if\member r\relax%
+\else \if\member l\relax%
+\else \if\member a\relax%
+  \hbonda%
+\else \if\member b\relax%
+   \hbondb%
+\else \if\member c\relax%
+   \hbondc%
+\else \if\member d\relax%
+   \hbondd%
+\else \if\member e\relax%
+   \hbonde%
+\else \if\member f\relax%
+   \hbondf%
+\else \if\member A%left aromatic circle 
+  \put(203,0){\circle{240}}%                %circle
+% %%%%%%%%%%%%%%%%%%%%%%%%%
+% % inner bond attachment %
+% %%%%%%%%%%%%%%%%%%%%%%%%%
+\else \expandafter\twoCH@@R\member//%
+     \set@fusionadd@sixh
+\fi\fi\fi\fi\fi\fi\fi\fi\fi}%
+%    \end{macrocode}
+%
+%    \begin{macrocode}
+% %%%%%%%%%%%%%%%%%%%%%%%%
+% % setting hetero atoms %
+% %%%%%%%%%%%%%%%%%%%%%%%%
+\set@hetatom@sixh{#3}{0}{0}{7}{0}%    %atom 1--6%
+% %%%%%%%%%%%%%%%%%%%%%%%%
+% % setting substituents %
+% %%%%%%%%%%%%%%%%%%%%%%%%
+\setsixringh{#4}{0}{0}{7}{0}%
+\end{picture}%
+\sixfuseposh{#5}%%for FuseWaring when nested
+\iniatom\iniflag}%     %end of \sixfuseh macro
+%    \end{macrocode}
+% \end{macro}
+% \end{macro}
+% \end{macro}
+% \end{macro}
+%
+% The macro |\sixfuseposh| is used in the definition of 
+% the |\sixfuseh| macro to detect a fused edge, where 
+% the coordinates of a reference terminal (|\fuseAx| and |\fuseAy|) 
+% and of the other terminal of the edge (|\fuseBx| and |\fuseBy|) 
+% are given for the successive process of adjustment. 
+%
+% \begin{macro}{\sixfuseposh}
+%    \begin{macrocode}
+\def\sixfuseposh#1{%
+\global\@sixfuseposvfalse
+{\resetbdsw%
+\@tfor\memBer:=#1\do{%
+\if\memBer a\relax
+ \if@sixfuseposv
+  \XyMTeXWarning{Double fused bond at bond `a'}%
+ \else
+  \gdef\fuseAx{0}\gdef\fuseAy{0}%
+  \gdef\fuseBx{103}\gdef\fuseBy{171}%
+  \global\@sixfuseposvtrue
+ \fi
+\fi%
+\if\memBer A\relax
+ \if@sixfuseposv
+  \XyMTeXWarning{Double fused bond at bond `A'}%
+ \else
+  \gdef\fuseBx{0}\gdef\fuseBy{0}%
+  \gdef\fuseAx{103}\gdef\fuseAy{171}%
+  \global\@sixfuseposvtrue
+ \fi
+\fi%
+\if\memBer b\relax
+ \if@sixfuseposv
+  \XyMTeXWarning{Double fused bond at bond `b'}%
+ \else
+  \gdef\fuseAx{103}\gdef\fuseAy{171}%
+  \gdef\fuseBx{303}\gdef\fuseBy{171}%
+  \global\@sixfuseposvtrue
+ \fi
+\fi%
+\if\memBer B\relax
+ \if@sixfuseposv
+  \XyMTeXWarning{Double fused bonds at bond `B'}%
+ \else
+  \gdef\fuseBx{103}\gdef\fuseBy{171}%
+  \gdef\fuseAx{303}\gdef\fuseAy{171}%
+  \global\@sixfuseposvtrue
+ \fi
+\fi%
+\if\memBer c\relax
+ \if@sixfuseposv
+  \XyMTeXWarning{Double fused bonds at bond `c'}%
+ \else
+  \gdef\fuseAx{303}\gdef\fuseAy{171}%
+  \gdef\fuseBx{406}\gdef\fuseBy{0}%
+  \global\@sixfuseposvtrue
+ \fi
+\fi%
+\if\memBer C\relax
+ \if@sixfuseposv
+  \XyMTeXWarning{Double fused bonds at bond `C'}%
+ \else
+  \gdef\fuseBx{303}\gdef\fuseBy{171}%
+  \gdef\fuseAx{406}\gdef\fuseAy{0}%
+  \global\@sixfuseposvtrue
+ \fi
+\fi%
+\if\memBer d\relax
+ \if@sixfuseposv
+  \XyMTeXWarning{Double fused bonds at bond `d'}%
+ \else
+  \gdef\fuseAx{406}\gdef\fuseAy{0}%
+  \gdef\fuseBx{303}\gdef\fuseBy{-171}%
+  \global\@sixfuseposvtrue
+ \fi
+\fi%
+\if\memBer D\relax
+ \if@sixfuseposv
+  \XyMTeXWarning{Double fused bonds at bond `D'}%
+ \else
+  \gdef\fuseBx{406}\gdef\fuseBy{0}%
+  \gdef\fuseAx{303}\gdef\fuseAy{-171}%
+  \global\@sixfuseposvtrue
+ \fi
+\fi%
+\if\memBer e\relax
+ \if@sixfuseposv
+  \XyMTeXWarning{Double fused bonds at bond `e'}%
+ \else
+  \gdef\fuseAx{303}\gdef\fuseAy{-171}%
+  \gdef\fuseBx{103}\gdef\fuseBy{-171}%
+  \global\@sixfuseposvtrue
+ \fi
+\fi%
+\if\memBer E\relax
+ \if@sixfuseposv
+  \XyMTeXWarning{Double fused bonds at bond `E'}%
+ \else
+  \gdef\fuseBx{303}\gdef\fuseBy{-171}%
+  \gdef\fuseAx{103}\gdef\fuseAy{-171}%
+  \global\@sixfuseposvtrue
+ \fi
+\fi%
+\if\memBer f\relax
+ \if@sixfuseposv
+  \XyMTeXWarning{Double fused bonds at bond `f'}%
+ \else
+  \gdef\fuseAx{103}\gdef\fuseAy{-171}%
+  \gdef\fuseBx{0}\gdef\fuseBy{0}%
+  \global\@sixfuseposvtrue
+ \fi
+\fi%
+\if\memBer F\relax
+ \if@sixfuseposv
+  \XyMTeXWarning{Double fused bonds at bond `F'}%
+ \else
+  \gdef\fuseBx{103}\gdef\fuseBy{-171}%
+  \gdef\fuseAx{0}\gdef\fuseAy{0}%
+  \global\@sixfuseposvtrue
+ \fi
+\fi}}}% end of the macro \sixfuseposh
+%    \end{macrocode}
+% \end{macro}
+%
+% \subsection{Inverse Horizontal Type}
+% 
+% The command |\sixfusehi| produces a six-membered fusing unit 
+% of inverse horizontal type.  The structure produced lacks a given bond 
+% in order to realize ring fusion, which produces a new ring system. 
+% The following numbering is adopted in this macro. 
+%
+% \begin{verbatim}
+% *****************************
+% * six-membered fusing unit  *
+% * (inverse horizontal type) *
+% *****************************
+%           b
+%        3      2 
+%    c    -----    a
+%       *        *
+%    4 *           * 1 <== the original point (0,0)
+%        *       * f
+%    d    -----
+%        5      6 
+%           e
+% \end{verbatim}
+%
+% The macro |\sixfusehi| has three arguments |ATOMLIST|, |SUBSLIST| 
+% and |FUSE| as well as an optional argument |BONDLIST|. 
+% Two optional arguments |SKBONDLIST| and |OMIT| are added to 
+% treat stereochemical information or other bond situations. 
+%
+% \begin{verbatim}
+%   \sixfusehi(SKBONDLIST)[BONDLIST]{ATOMLIST}{SUBSLIST}{FUSE}[OMIT]
+% \end{verbatim}
+%
+% The |SKBONDLIST| argument contains pairs of two alphabets in 
+% parentheses, e.g. (\{bA\}\{fB\}).  Each pair contains a lowercase 
+% character selected from bond specifiers `a' to `f' and a uppercase
+% character `A' or `B'. 
+%
+% The |BONDLIST| argument contains one 
+% character selected from a to f, each of which indicates the presence of 
+% an inner (endcyclic) double bond on the corresponding position. 
+% The option `$n+$' ($n=1$ to $6$) represents a plus charge on a hetero atom 
+% at the $n$-position. 
+%
+% \begin{verbatim}
+%     BONDLIST = 
+%
+%           none       :  fully saturated
+%           a          :  1,2-double bond
+%           b          :  2,3-double bond
+%           c          :  4,3-double bond
+%           d          :  4,5-double bond
+%           e          :  5,6-double bond
+%           f          :  6,1-double bond
+%           {n+}       :  plus at the n-nitrogen atom (n = 1 to 6)
+% \end{verbatim}
+%
+% The |ATOMLIST| argument contains one or more heteroatom descriptors 
+% which are separated from each other by a semicolon.  Each heteroatom 
+% descriptor consists of a locant number and a heteroatom, 
+% where these are separated with a double equality symbol. 
+%
+% \begin{verbatim}
+%     ATOMLIST: list of heteroatoms (max 6 atoms)
+%
+%       for n = 1 to 6
+%
+%           n          : Hetero atom, e.g. N, O, etc. at n-position, 
+%                        e.g. 1==N for N at 1-position
+% \end{verbatim}
+%
+% The |SUBSLIST| argument contains one or more substitution descriptors 
+% which are separated from each other by a semicolon.  Each substitution 
+% descriptor has a locant number with a bond modifier and a substituent, 
+% where these are separated with a double equality symbol. 
+%
+% \begin{verbatim}
+%     SUBSLIST: list of substituents
+%
+%       for n = 1 to 6 
+%
+%           nD         :  exocyclic double bond at n-atom
+%           n or nS    :  exocyclic single bond at n-atom
+%           nA         :  alpha single bond at n-atom
+%           nB         :  beta single bond at n-atom
+%           nSA        :  alpha single bond at n-atom (boldface)
+%           nSB        :  beta single bond at n-atom (dotted line)
+%           nSa        :  alpha (not specified) single bond at n-atom
+%           nSb        :  beta (not specified) single bond at n-atom
+%
+%           nSd        :  alpha single bond at n-atom (dotted line) 
+%                           with an alternative direction to nSA 
+%           nSu        :  beta single bond at n-atom (boldface) 
+%                           with an alternative direction to nSB 
+%           nFA        :  alpha single bond at n-atom (dotted line) 
+%                           for ring fusion 
+%           nFB        :  beta single bond at n-atom (boldface) 
+%                           for ring fusion 
+%           nGA        :  alpha single bond at n-atom (dotted line) 
+%                           for the other ring fusion 
+%           nGB        :  beta single bond at n-atom (boldface) 
+%                           for the other ring fusion 
+% \end{verbatim}
+%
+% The argument |FUSE| represents one bond to be omitted. 
+% The omitted edge is regarded as a fused position. 
+%
+% \begin{verbatim}
+%     FUSE:  one bond omitted (a, b, c, d, e, or f)
+% \end{verbatim}
+%
+% The argument |OMIT| represents one or more bonds to be omitted. 
+% The omitted edges are regarded as non-fused positions. 
+%
+% \begin{verbatim}
+%     OMIT:  one or more bonds omitted (a, b, c, d, e, or f)
+% \end{verbatim}
+%
+% Several examples are shown as follows.
+% \begin{verbatim}
+%       e.g. 
+%        
+%        \sixfusehi{1==N}{1==Cl;2==F}{e}
+% \end{verbatim}
+%
+% \changes{v2.00}{1998/12/29}{New command: \cs{sixfusehi}} 
+%
+% \begin{macro}{\sixfusehi}
+% \begin{macro}{\@six@fusehi}
+% \begin{macro}{\@six@@fusehi}
+% \begin{macro}{\@sixfusehi}
+%    \begin{macrocode}
+\def\sixfusehi{\@ifnextchar({\@six@fusehi(@}{\@six@fusehi(@)}}
+\def\@six@fusehi(#1){\@ifnextchar[{\@six@@fusehi(#1)[@}%
+{\@six@@fusehi(#1)[@]}}
+\def\@six@@fusehi(#1)[#2]#3#4#5{\@ifnextchar[%
+{\@sixfusehi(#1)[#2]{#3}{#4}{#5}[@}%
+{\@sixfusehi(#1)[#2]{#3}{#4}{#5}[@]}}
+\def\@sixfusehi(#1)[#2]#3#4#5[#6]{%
+%    \end{macrocode}
+%
+%    \begin{macrocode}
+% %%%%%%%%%%%%%%%%%%%%%%%%%%
+% % treatment of atom list %
+% %%%%%%%%%%%%%%%%%%%%%%%%%%
+\iniatom\iniflag%initialize%
+\test@vrtx@sixhi{#3}%
+% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
+% % adjustment of attached positions %
+% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
+\sixfuseposhi{#5}%
+\if@sixfuseposv
+ \yl@shiftii=-\fuseAx
+ \yl@shifti=-\fuseAy
+ \advance\yl@shiftii\yl@xdiff
+ \advance\yl@shifti\yl@ydiff
+ \begin{picture}(0,0)(-\yl@shiftii,-\yl@shifti)
+ \reset@yl@xydiff%1999/1/6 by S. Fujita
+\else
+ \begin{picture}(800,880)(-240,-400)%
+  \iforigpt \put(-\shifti,-\shiftii){\circle*{50}}%
+           \put(-\noshift,-\noshift){\circle{50}}% 
+   \typeout{command `sixunith' origin: %
+    (\the\noshift,\the\noshift) ---> (\the\shifti,\the\shiftii)}\fi%
+\fi
+%    \end{macrocode}
+%
+%    \begin{macrocode}
+% %%%%%%%%%%%%%%%%%%
+% % outer skeleton %
+% %%%%%%%%%%%%%%%%%%
+% changed FUSE into a list 1993/11/21 by Shinsaku Fujita
+{\resetbdsw%
+\@bond@fuse@omit{#5}{#6}%
+\set@skel@bondh{#1}{a}{c}% bond between 1 and 2 \@aaa -> \hskbondc etc
+\set@skel@bondh{#1}{b}{b}% bond between 2 and 3 \@bbb -> \hskbondb etc
+\set@skel@bondh{#1}{c}{a}% bond between 3 and 4 \@ccc -> \hskbonda etc
+\set@skel@bondh{#1}{d}{f}% bond between 4 and 5 \@ddd -> \hskbondf etc
+\set@skel@bondh{#1}{e}{e}% bond between 5 and 6 \@eee -> \hskbonde etc
+\set@skel@bondh{#1}{f}{d}% bond between 6 and 1 \@fff -> \hskbondd etc
+}%
+%    \end{macrocode}
+%
+%    \begin{macrocode}
+% %%%%%%%%%%%%%%%%%%%%%
+% % inner double bond %
+% %%%%%%%%%%%%%%%%%%%%%
+\@tfor\member:=#2\do{%
+\if\member r\relax%
+\else \if\member l\relax%
+\else \if\member a\relax%
+  \hbondc%
+\else \if\member b\relax%
+   \hbondb%
+\else \if\member c\relax%
+   \hbonda%
+\else \if\member d\relax%
+   \hbondf%
+\else \if\member e\relax%
+   \hbonde%
+\else \if\member f\relax%
+   \hbondd%
+\else \if\member A%left aromatic circle 
+  \put(203,0){\circle{240}}%                %circle
+% %%%%%%%%%%%%%%%%%%%%%%%%%
+% % inner bond attachment %
+% %%%%%%%%%%%%%%%%%%%%%%%%%
+\else \expandafter\twoCH@@R\member//%
+     \set@fusionadd@sixhi
+\fi\fi\fi\fi\fi\fi\fi\fi\fi}%
+%    \end{macrocode}
+%
+%    \begin{macrocode}
+% %%%%%%%%%%%%%%%%%%%%%%%%
+% % setting hetero atoms %
+% %%%%%%%%%%%%%%%%%%%%%%%%
+\set@hetatom@sixh{#3}{5}{0}{5}{-1}%               %subst 1--4
+\set@hetatom@sixh{#3}{11}{4}{7}{-1}%              %subst 5 and 6
+% %%%%%%%%%%%%%%%%%%%%%%%%
+% % setting substituents %
+% %%%%%%%%%%%%%%%%%%%%%%%%
+\setsixringh{#4}{5}{0}{5}{-1}%               %subst 1--4
+\setsixringh{#4}{11}{4}{7}{-1}%              %subst 5 and 6
+\end{picture}%
+\sixfuseposhi{#5}%%for FuseWaring when nested
+\iniatom\iniflag}%     %end of \sixfusehi macro
+%    \end{macrocode}
+% \end{macro}
+% \end{macro}
+% \end{macro}
+% \end{macro}
+%
+% The macro |\sixfuseposhi| is used in the definition of 
+% the |\sixfusehi| macro to detect a fused edge, where 
+% the coordinates of a reference terminal (|\fuseAx| and |\fuseAy|) 
+% and of the other terminal of the edge (|\fuseBx| and |\fuseBy|) 
+% are given for the successive process of adjustment. 
+%
+% \begin{macro}{\sixfuseposhi}
+%    \begin{macrocode}
+\def\sixfuseposhi#1{%
+\global\@sixfuseposvfalse
+{\resetbdsw%
+\@tfor\memBer:=#1\do{%
+\if\memBer C\relax
+ \if@sixfuseposv
+  \XyMTeXWarning{Double fused bond at bond `C'}%
+ \else
+  \gdef\fuseAx{0}\gdef\fuseAy{0}%
+  \gdef\fuseBx{103}\gdef\fuseBy{171}%
+  \global\@sixfuseposvtrue
+ \fi
+\fi%
+\if\memBer c\relax
+ \if@sixfuseposv
+  \XyMTeXWarning{Double fused bond at bond `c'}%
+ \else
+  \gdef\fuseBx{0}\gdef\fuseBy{0}%
+  \gdef\fuseAx{103}\gdef\fuseAy{171}%
+  \global\@sixfuseposvtrue
+ \fi
+\fi%
+\if\memBer B\relax
+ \if@sixfuseposv
+  \XyMTeXWarning{Double fused bond at bond `B'}%
+ \else
+  \gdef\fuseAx{103}\gdef\fuseAy{171}%
+  \gdef\fuseBx{303}\gdef\fuseBy{171}%
+  \global\@sixfuseposvtrue
+ \fi
+\fi%
+\if\memBer b\relax
+ \if@sixfuseposv
+  \XyMTeXWarning{Double fused bonds at bond `b'}%
+ \else
+  \gdef\fuseBx{103}\gdef\fuseBy{171}%
+  \gdef\fuseAx{303}\gdef\fuseAy{171}%
+  \global\@sixfuseposvtrue
+ \fi
+\fi%
+\if\memBer A\relax
+ \if@sixfuseposv
+  \XyMTeXWarning{Double fused bonds at bond `A'}%
+ \else
+  \gdef\fuseAx{303}\gdef\fuseAy{171}%
+  \gdef\fuseBx{406}\gdef\fuseBy{0}%
+  \global\@sixfuseposvtrue
+ \fi
+\fi%
+\if\memBer a\relax
+ \if@sixfuseposv
+  \XyMTeXWarning{Double fused bonds at bond `a'}%
+ \else
+  \gdef\fuseBx{303}\gdef\fuseBy{171}%
+  \gdef\fuseAx{406}\gdef\fuseAy{0}%
+  \global\@sixfuseposvtrue
+ \fi
+\fi%
+\if\memBer F\relax
+ \if@sixfuseposv
+  \XyMTeXWarning{Double fused bonds at bond `F'}%
+ \else
+  \gdef\fuseAx{406}\gdef\fuseAy{0}%
+  \gdef\fuseBx{303}\gdef\fuseBy{-171}%
+  \global\@sixfuseposvtrue
+ \fi
+\fi%
+\if\memBer f\relax
+ \if@sixfuseposv
+  \XyMTeXWarning{Double fused bonds at bond `f'}%
+ \else
+  \gdef\fuseBx{406}\gdef\fuseBy{0}%
+  \gdef\fuseAx{303}\gdef\fuseAy{-171}%
+  \global\@sixfuseposvtrue
+ \fi
+\fi%
+\if\memBer E\relax
+ \if@sixfuseposv
+  \XyMTeXWarning{Double fused bonds at bond `E'}%
+ \else
+  \gdef\fuseAx{303}\gdef\fuseAy{-171}%
+  \gdef\fuseBx{103}\gdef\fuseBy{-171}%
+  \global\@sixfuseposvtrue
+ \fi
+\fi%
+\if\memBer e\relax
+ \if@sixfuseposv
+  \XyMTeXWarning{Double fused bonds at bond `e'}%
+ \else
+  \gdef\fuseBx{303}\gdef\fuseBy{-171}%
+  \gdef\fuseAx{103}\gdef\fuseAy{-171}%
+  \global\@sixfuseposvtrue
+ \fi
+\fi%
+\if\memBer D\relax
+ \if@sixfuseposv
+  \XyMTeXWarning{Double fused bonds at bond `D'}%
+ \else
+  \gdef\fuseAx{103}\gdef\fuseAy{-171}%
+  \gdef\fuseBx{0}\gdef\fuseBy{0}%
+  \global\@sixfuseposvtrue
+ \fi
+\fi%
+\if\memBer d\relax
+ \if@sixfuseposv
+  \XyMTeXWarning{Double fused bonds at bond `d'}%
+ \else
+  \gdef\fuseBx{103}\gdef\fuseBy{-171}%
+  \gdef\fuseAx{0}\gdef\fuseAy{0}%
+  \global\@sixfuseposvtrue
+ \fi
+\fi}}}% end of the macro \sixfuseposhi
+%    \end{macrocode}
+% \end{macro}
+%
+% \section{Five-membered fused ring unit}
+% \subsection{Vertical type}
+%
+% The macro |\fivefusev| is a five-membered fragment that can be 
+% fused to another 
+% ring structure to produce a new ring system. The following 
+% numbering is adopted in this macro. 
+%
+% \begin{verbatim}
+% **********************
+% * five-membered fused*
+% *  (vertical type)   *
+% **********************
+%
+%     4 _______ 3
+%       |     |
+%       |     |
+%     5  *   *  2
+%          *
+%          1 <===== the original point
+% \end{verbatim}
+%
+% The macro |\fivefusev| has three arguments |ATOMLIST|, |SUBSLIST| 
+% and |FUSE| as well as an optional argument |BONDLIST|.  
+% Two optional arguments |SKBONDLIST| and |OMIT| are added to 
+% treat stereochemical information or other bond situations. 
+%
+% \begin{verbatim}
+%   \fivefusev(SKBONDLIST)[BONDLIST]{ATOMLIST}{SUBSLIST}{FUSE}[OMIT]
+% \end{verbatim}
+%
+% The |SKBONDLIST| argument contains pairs of two alphabets in 
+% parentheses, e.g. (\{bA\}\{fB\}).  Each pair contains a lowercase 
+% character selected from bond specifiers `a' to `f' and a uppercase
+% character `A' or `B'. 
+%
+% The |BONDLIST| argument contains one 
+% character selected from a to e, each of 
+% which indicates the presence of 
+% an inner (endcyclic) double bond on the corresponding position. 
+% The option `$n+$' ($n=1$ to $5$) represents a plus charge on a hetero atom 
+% at the $n$-position. 
+%
+% \begin{verbatim}
+%     BONDLIST: list of inner double bonds 
+%
+%           a          :  1,2-double bond
+%           b          :  2,3-double bond
+%           c          :  4,3-double bond
+%           d          :  4,5-double bond
+%           e          :  5,1-double bond
+%           {n+}       :  plus at the n-nitrogen atom (n = 1 to 5)
+% \end{verbatim}
+%
+% The |ATOMLIST| argument contains one or more heteroatom descriptors 
+% which are separated from each other by a semicolon.  Each heteroatom 
+% descriptor consists of a locant number and a heteroatom, 
+% where these are separated with a double equality symbol. 
+%
+% \begin{verbatim}
+%     ATOMLIST: list of heteroatoms (max 5 atoms)
+%
+%       for n = 1 to 5
+%
+%           n          : Hetero atom, e.g. N, O, etc. at n-position
+%                        e.g. 1==N for N at 1-position
+% \end{verbatim}
+%
+% The |SUBSLIST| argument contains one or more substitution descriptors 
+% which are separated from each other by a semicolon.  Each substitution 
+% descriptor has a locant number with a bond modifier and a substituent, 
+% where these are separated with a double equality symbol. 
+%
+% \begin{verbatim}
+%     SUBSLIST: list of substituents
+%
+%       for n = 1 to 5 
+%
+%           nD         :  exocyclic double bond at n-atom
+%           n or nS    :  exocyclic single bond at n-atom
+%           nA         :  alpha single bond at n-atom
+%           nB         :  beta single bond at n-atom
+%           nSA        :  alpha single bond at n-atom (boldface)
+%           nSB        :  beta single bond at n-atom (dotted line)
+%           nSa        :  alpha (not specified) single bond at n-atom
+%           nSb        :  beta (not specified) single bond at n-atom
+%
+%           nSd        :  alpha single bond at n-atom (dotted line) 
+%                           with an alternative direction to nSA 
+%           nSu        :  beta single bond at n-atom (boldface) 
+%                           with an alternative direction to nSB 
+%           nFA        :  alpha single bond at n-atom (dotted line) 
+%                           for ring fusion 
+%           nFB        :  beta single bond at n-atom (boldface) 
+%                           for ring fusion 
+%           nGA        :  alpha single bond at n-atom (dotted line) 
+%                           for the other ring fusion 
+%           nGB        :  beta single bond at n-atom (boldface) 
+%                           for the other ring fusion 
+% \end{verbatim}
+%
+% The argument |FUSE| represents one bond to be omitted for fusion. 
+% The omitted edge is regarded as a fused position. 
+%
+% \begin{verbatim}
+%     FUSE:  one bond omitted (a, b, c, d, or e)
+% \end{verbatim}
+%
+% The argument |OMIT| represents one or more bonds to be omitted. 
+% The omitted edges are regarded as non-fused positions. 
+%
+% \begin{verbatim}
+%     OMIT:  one or more bonds omitted (a, b, c, d, or e)
+% \end{verbatim}
+%
+% Several examples are shown as follows.
+% \begin{verbatim}
+%       e.g. 
+%        
+%        \fivefusev{1==N}{1==H;2==F}{a}
+% \end{verbatim}
+%
+% \begin{macro}{\fivefusev}
+% \begin{macro}{\@five@fusev}
+% \begin{macro}{\@five@@fusev}
+% \begin{macro}{\@fivefusev}
+%    \begin{macrocode}
+\def\fivefusev{\@ifnextchar({\@five@fusev(@}{\@five@fusev(@)}}
+\def\@five@fusev(#1){\@ifnextchar[{\@five@@fusev(#1)[@}%
+{\@five@@fusev(#1)[@]}}
+\def\@five@@fusev(#1)[#2]#3#4#5{\@ifnextchar[%
+{\@fivefusev(#1)[#2]{#3}{#4}{#5}[@}%
+{\@fivefusev(#1)[#2]{#3}{#4}{#5}[@]}}
+\def\@fivefusev(#1)[#2]#3#4#5[#6]{%
+\iniatom\iniflag%initialize
+%    \end{macrocode}
+%
+%    \begin{macrocode}
+% %%%%%%%%%%%%%%%%%%%%%%%%%%
+% % treatment of atom list %
+% %%%%%%%%%%%%%%%%%%%%%%%%%%
+\test@vertix@sixv{#3}{d}{c}{b}{f}{e}{@}%
+% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
+% % adjustment of attached positions %
+% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
+\fivefuseposv{#5}%
+\if@sixfuseposv
+ \yl@shiftii=-\fuseAx
+ \yl@shifti=-\fuseAy
+ \advance\yl@shiftii\yl@xdiff
+ \advance\yl@shifti\yl@ydiff
+ \begin{picture}(0,0)(-\yl@shiftii,-\yl@shifti)
+ \reset@yl@xydiff%1999/1/6 by S. Fujita
+\else
+ \begin{picture}(800,880)(-\shiftii,-\shifti)%
+  \iforigpt \put(-\shiftii,-\shifti){\circle*{50}}%
+           \put(-\noshift,-\noshift){\circle{50}}% 
+   \typeout{command `fivefusev' origin: %
+    (\the\noshift,\the\noshift) ---> (\the\shiftii,\the\shifti)}\fi%
+\fi
+%    \end{macrocode}
+%
+%    \begin{macrocode}
+% %%%%%%%%%%%%%%%%%%%
+% %% outer skeleton %
+% %%%%%%%%%%%%%%%%%%%
+% changed FUSE to a list 1993/11/21 by Shinsaku Fujita
+{\resetbdsw%
+\@bond@fuse@omit{#5}{#6}%
+\set@skel@bond{#1}{a}{c}% bond between 1 and 2 \@aaa -> \skbondc etc
+\set@skel@bond{#1}{b}{b}% bond between 2 and 3 \@bbb -> \skbondb etc
+\set@skel@longbond{#1}{c}{skbondhoriz}%
+      % bond between 3 and 4 \@ccc -> \skbondhoriz etc
+\set@skel@bond{#1}{d}{e}% bond between 4 and 5 \@ddd -> \skbonde etc
+\set@skel@bond{#1}{e}{d}% bond between 5 and 1 \@eee -> \skbondd etc
+}%
+%    \end{macrocode}
+%
+%    \begin{macrocode}
+% %%%%%%%%%%%%%%%%%%%%%%
+% %% inner double bond %
+% %%%%%%%%%%%%%%%%%%%%%%
+\@tfor\member:=#2\do{%
+\if\member r%
+\else\if\member a\relax%
+   \bondc%
+\else\if\member b\relax%
+  \bondb%
+\else\if\member c\relax%
+   \bondhoriz%
+\else\if\member d\relax%
+  \bonde%
+\else\if\member e\relax%
+  \bondd%
+\else
+% %%%%%%%%%%%%%%%%%%%%%%%%%
+% % inner bond attachment %
+% %%%%%%%%%%%%%%%%%%%%%%%%%
+    \expandafter\twoCH@@R\member//%
+    \set@fusionadd@fivev
+\fi\fi\fi\fi\fi\fi}%
+%    \end{macrocode}
+%
+%    \begin{macrocode}
+% %%%%%%%%%%%%%%%%%%%%%%%
+% % setting heteroatoms %
+% %%%%%%%%%%%%%%%%%%%%%%%
+\set@hetatom@sixv{#3}{5}{1}{5}{-1}%   % for 1 to 3
+\set@hetatom@sixv{#3}{10}{4}{7}{-1}%  % for 4 to 5
+%    \end{macrocode}
+%
+%    \begin{macrocode}
+% %%%%%%%%%%%%%%%%%%%%%%%%
+% % setting substituents %
+% %%%%%%%%%%%%%%%%%%%%%%%%
+\setsixringv{#4}{5}{1}{5}{-1}%   % for 1 to 3
+\setsixringv{#4}{10}{4}{7}{-1}%  % for 4 to 5
+\end{picture}%
+{\let\XyMTeXWarning\@gobble
+\fivefuseposv{#5}}%%for FuseWaring when nested
+\iniatom\iniflag}%end of \fivefusev macro
+%    \end{macrocode}
+% \end{macro}
+% \end{macro}
+% \end{macro}
+% \end{macro}
+%
+% The macro |\fivefuseposv| is used in the definition of 
+% the |\fivefusev| macro to detect a fused edge, where 
+% the coordinates of a reference terminal (|\fuseAx| and |\fuseAy|) 
+% and of the other terminal of the edge (|\fuseBx| and |\fuseBy|) 
+% are given for the successive process of adjustment. 
+%
+% \begin{macro}{\fivefuseposv}
+%    \begin{macrocode}
+\def\fivefuseposv#1{%
+\global\@sixfuseposvfalse
+{\resetbdsw%
+\@tfor\memBer:=#1\do{%
+\if\memBer c\relax
+        \XyMTeXWarning{Not-used fusion at bond `c'}%
+\fi
+\if\memBer C\relax
+        \XyMTeXWarning{Not-used fusion at bond `C'}%
+\fi
+\if\memBer b\relax
+ \if@sixfuseposv
+  \XyMTeXWarning{Double fused bonds at bond `b'}%
+ \else
+  \gdef\fuseBx{171}\gdef\fuseBy{303}%
+  \gdef\fuseAx{171}\gdef\fuseAy{103}%
+  \global\@sixfuseposvtrue
+ \fi
+\fi%
+\if\memBer B\relax
+ \if@sixfuseposv
+  \XyMTeXWarning{Double fused bonds at bond `B'}%
+ \else
+  \gdef\fuseAx{171}\gdef\fuseAy{303}%
+  \gdef\fuseBx{171}\gdef\fuseBy{103}%
+  \global\@sixfuseposvtrue
+ \fi
+\fi%
+\if\memBer a\relax
+ \if@sixfuseposv
+  \XyMTeXWarning{Double fused bonds at bond `a'}%
+ \else
+  \gdef\fuseBx{171}\gdef\fuseBy{103}%
+  \gdef\fuseAx{0}\gdef\fuseAy{0}%
+  \global\@sixfuseposvtrue
+ \fi
+\fi%
+\if\memBer A\relax
+ \if@sixfuseposv
+  \XyMTeXWarning{Double fused bonds at bond `A'}%
+ \else
+  \gdef\fuseAx{171}\gdef\fuseAy{103}%
+  \gdef\fuseBx{0}\gdef\fuseBy{0}%
+  \global\@sixfuseposvtrue
+ \fi
+\fi%
+\if\memBer e\relax
+ \if@sixfuseposv
+  \XyMTeXWarning{Double fused bonds at bond `f'}%
+ \else
+  \gdef\fuseBx{0}\gdef\fuseBy{0}%
+  \gdef\fuseAx{-171}\gdef\fuseAy{103}%
+  \global\@sixfuseposvtrue
+ \fi
+\fi%
+\if\memBer E\relax
+ \if@sixfuseposv
+  \XyMTeXWarning{Double fused bonds at bond `F'}%
+ \else
+  \gdef\fuseAx{0}\gdef\fuseAy{0}%
+  \gdef\fuseBx{-171}\gdef\fuseBy{103}%
+  \global\@sixfuseposvtrue
+ \fi
+\fi%
+\if\memBer d\relax
+ \if@sixfuseposv
+  \XyMTeXWarning{Double fused bonds at bond `e'}%
+ \else
+  \gdef\fuseBx{-171}\gdef\fuseBy{103}%
+  \gdef\fuseAx{-171}\gdef\fuseAy{303}%
+  \global\@sixfuseposvtrue
+ \fi
+\fi%
+\if\memBer D\relax
+ \if@sixfuseposv
+  \XyMTeXWarning{Double fused bonds at bond `E'}%
+ \else
+  \gdef\fuseAx{-171}\gdef\fuseAy{103}%
+  \gdef\fuseBx{-171}\gdef\fuseBy{303}%
+  \global\@sixfuseposvtrue
+ \fi
+\fi%
+}}}% end of the macro \fivefuseposv
+%    \end{macrocode}
+% \end{macro}
+%
+% \subsection{Inverse vertical type}
+%
+% The macro |\fivefusevi| typesets a five-membered fragment that can be 
+% fused to another 
+% ring structure to produce a new ring system. The following 
+% numbering is adopted in this macro. 
+%
+% \begin{verbatim}
+% ************************************
+% * five-membered fusing unit        *
+% *  (vertical type, inverse type)   *
+% ************************************
+%
+%          1
+%          * 
+%     6  *   *  2
+%       |     |
+%       |_____|
+%     4         3
+%          *
+%        (0,0) <===== the original point
+% \end{verbatim}
+%
+% The macro |\fivefusevi| has three arguments |ATOMLIST|, |SUBSLIST| 
+% and |FUSE| as well as an optional argument |BONDLIST|.  
+% Two optional arguments |SKBONDLIST| and |OMIT| are added to 
+% treat stereochemical information or other bond situations. 
+%
+% \begin{verbatim}
+%   \fivefusevi(SKBONDLIST)[BONDLIST]{ATOMLIST}{SUBSLIST}{FUSE}[OMIT]
+% \end{verbatim}
+%
+% The |SKBONDLIST| argument contains pairs of two alphabets in 
+% parentheses, e.g. (\{bA\}\{fB\}).  Each pair contains a lowercase 
+% character selected from bond specifiers `a' to `f' and a uppercase
+% character `A' or `B'. 
+%
+% The |BONDLIST| argument contains one 
+% character selected from a to e, each of which indicates the presence of 
+% an inner (endcyclic) double bond on the corresponding position. 
+% The option `$n+$' ($n=1$ to $5$) represents a plus charge on a hetero atom 
+% at the $n$-position. 
+%
+% \begin{verbatim}
+%     BONDLIST: list of inner double bonds 
+%
+%           a          :  1,2-double bond
+%           b          :  2,3-double bond
+%           c          :  4,3-double bond
+%           d          :  4,5-double bond
+%           e          :  5,1-double bond
+%           {n+}       :  plus at the n-nitrogen atom (n = 1 to 5)
+% \end{verbatim}
+%
+% The |ATOMLIST| argument contains one or more heteroatom descriptors 
+% which are separated from each other by a semicolon.  Each heteroatom 
+% descriptor consists of a locant number and a heteroatom, 
+% where these are separated with a double equality symbol. 
+%
+% \begin{verbatim}
+%     ATOMLIST: list of heteroatoms (max 5 atoms)
+%
+%       for n = 1 to 5
+%
+%           n          : Hetero atom, e.g. N, O, etc. at n-position
+%                        e.g. 1==N for N at 1-position
+% \end{verbatim}
+%
+% The |SUBSLIST| argument contains one or more substitution descriptors 
+% which are separated from each other by a semicolon.  Each substitution 
+% descriptor has a locant number with a bond modifier and a substituent, 
+% where these are separated with a double equality symbol. 
+%
+% \begin{verbatim}
+%     SUBSLIST: list of substituents
+%
+%       for n = 1 to 5 
+%
+%           nD         :  exocyclic double bond at n-atom
+%           n or nS    :  exocyclic single bond at n-atom
+%           nA         :  alpha single bond at n-atom
+%           nB         :  beta single bond at n-atom
+%           nSA        :  alpha single bond at n-atom (boldface)
+%           nSB        :  beta single bond at n-atom (dotted line)
+%           nSa        :  alpha (not specified) single bond at n-atom
+%           nSb        :  beta (not specified) single bond at n-atom
+%
+%           nSd        :  alpha single bond at n-atom (dotted line) 
+%                           with an alternative direction to nSA 
+%           nSu        :  beta single bond at n-atom (boldface) 
+%                           with an alternative direction to nSB 
+%           nFA        :  alpha single bond at n-atom (dotted line) 
+%                           for ring fusion 
+%           nFB        :  beta single bond at n-atom (boldface) 
+%                           for ring fusion 
+%           nGA        :  alpha single bond at n-atom (dotted line) 
+%                           for the other ring fusion 
+%           nGB        :  beta single bond at n-atom (boldface) 
+%                           for the other ring fusion 
+% \end{verbatim}
+%
+% The argument |FUSE| represents one bond to be omitted. 
+% The omitted edge is regarded as a fused position. 
+%
+% \begin{verbatim}
+%     FUSE:  one bond omitted (a, b, c, d, or e)
+% \end{verbatim}
+%
+% The argument |OMIT| represents one or more bonds to be omitted. 
+% The omitted edges are regarded as non-fused positions. 
+%
+% \begin{verbatim}
+%     OMIT:  one or more bonds omitted (a, b, c, d, or e)
+% \end{verbatim}
+%
+% Several examples are shown as follows.
+% \begin{verbatim}
+%       e.g. 
+%        
+%        \fivefusevi{1==N}{1==H;2==F}{a}
+% \end{verbatim}
+%
+% \begin{macro}{\fivefusevi}
+% \begin{macro}{\@five@fusevi}
+% \begin{macro}{\@five@@fusevi}
+% \begin{macro}{\@fivefusevi}
+%    \begin{macrocode}
+\def\fivefusevi{\@ifnextchar({\@five@fusevi(@}{\@five@fusevi(@)}}
+\def\@five@fusevi(#1){\@ifnextchar[{\@five@@fusevi(#1)[@}%
+{\@five@@fusevi(#1)[@]}}
+\def\@five@@fusevi(#1)[#2]#3#4#5{\@ifnextchar[%
+{\@fivefusevi(#1)[#2]{#3}{#4}{#5}[@}%
+{\@fivefusevi(#1)[#2]{#3}{#4}{#5}[@]}}
+\def\@fivefusevi(#1)[#2]#3#4#5[#6]{%
+\iniatom\iniflag%initialize
+%    \end{macrocode}
+%
+%    \begin{macrocode}
+% %%%%%%%%%%%%%%%%%%%%%%%%%%
+% % treatment of atom list %
+% %%%%%%%%%%%%%%%%%%%%%%%%%%
+\test@vertix@sixv{#3}{a}{b}{c}{e}{f}{@}%
+% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
+% % adjustment of attached positions %
+% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
+\fivefuseposvi{#5}%
+\if@sixfuseposv
+ \yl@shiftii=-\fuseAx
+ \yl@shifti=-\fuseAy
+ \advance\yl@shiftii\yl@xdiff
+ \advance\yl@shifti\yl@ydiff
+ \begin{picture}(0,0)(-\yl@shiftii,-\yl@shifti)
+ \reset@yl@xydiff%1999/1/6 by S. Fujita
+\else
+ \begin{picture}(800,880)(-\shiftii,-\shifti)%
+  \iforigpt \put(-\shiftii,-\shifti){\circle*{50}}%
+           \put(-\noshift,-\noshift){\circle{50}}% 
+   \typeout{command `fivefusevi' origin: %
+    (\the\noshift,\the\noshift) ---> (\the\shiftii,\the\shifti)}\fi%
+\fi
+%    \end{macrocode}
+%
+%    \begin{macrocode}
+% %%%%%%%%%%%%%%%%%%
+% % outer skeleton %
+% %%%%%%%%%%%%%%%%%%
+% changed FUSE to a list 1993/11/21 by Shinsaku Fujita
+{\resetbdsw%
+\@bond@fuse@omit{#5}{#6}%
+\set@skel@bond{#1}{a}{a}% bond between 1 and 2 \@aaa -> \skbonda etc
+\set@skel@bond{#1}{b}{b}% bond between 2 and 3 \@bbb -> \skbondb etc
+\set@skel@longbond{#1}{c}{skbondhorizi}%
+      % bond between 3 and 4 \@ccc -> \skbondhorizi etc
+\set@skel@bond{#1}{d}{e}% bond between 4 and 5 \@ddd -> \skbonde etc
+\set@skel@bond{#1}{e}{f}% bond between 5 and 6 \@eee -> \skbondf etc
+}%
+%    \end{macrocode}
+%
+%    \begin{macrocode}
+% %%%%%%%%%%%%%%%%%%%%%
+% % inner double bond %
+% %%%%%%%%%%%%%%%%%%%%%
+\@tfor\member:=#2\do{%
+\if\member r%
+\else\if\member a\relax%
+   \bonda%
+\else\if\member b\relax%
+  \bondb%
+\else\if\member c\relax%
+   \bondhorizi%
+\else\if\member d\relax%
+  \bonde%
+\else\if\member e\relax%
+  \bondf%
+\else 
+% %%%%%%%%%%%%%%%%%%%%%%%%%
+% % inner bond attachment %
+% %%%%%%%%%%%%%%%%%%%%%%%%%
+    \expandafter\twoCH@@R\member//%
+    \set@fusionadd@fivevi
+\fi\fi\fi\fi\fi\fi}%
+%    \end{macrocode}
+%
+%    \begin{macrocode}
+% %%%%%%%%%%%%%%%%%%%%%%%
+% % setting heteroatoms %
+% %%%%%%%%%%%%%%%%%%%%%%%
+\set@hetatom@sixv{#3}{0}{0}{4}{0}%  % for 1 to 3
+\set@hetatom@sixv{#3}{1}{4}{7}{0}%  % for 4 to 5
+%    \end{macrocode}
+%
+%    \begin{macrocode}
+% %%%%%%%%%%%%%%%%%%%%%%%%
+% % setting substituents %
+% %%%%%%%%%%%%%%%%%%%%%%%%
+\setsixringv{#4}{0}{0}{4}{0}%  % for 1 to 3
+\setsixringv{#4}{1}{4}{7}{0}%  % for 4 to 5
+\end{picture}%
+{\let\XyMTeXWarning\@gobble
+\fivefuseposvi{#5}}%%for FuseWaring when nested
+\iniatom\iniflag}%               %end of \fivefusevi macro
+%    \end{macrocode}
+% \end{macro}
+% \end{macro}
+% \end{macro}
+% \end{macro}
+%
+% The macro |\fivefuseposvi| is used in the definition of 
+% the |\fivefusev| macro to detect a fused edge, where 
+% the coordinates of a reference terminal (|\fuseAx| and |\fuseAy|) 
+% and of the other terminal of the edge (|\fuseBx| and |\fuseBy|) 
+% are given for the successive process of adjustment. 
+%
+% \begin{macro}{\fivefuseposvi}
+%    \begin{macrocode}
+\def\fivefuseposvi#1{%
+\global\@sixfuseposvfalse
+{\resetbdsw%
+\@tfor\memBer:=#1\do{%
+\if\memBer a\relax
+ \if@sixfuseposv
+  \XyMTeXWarning{Double fused bond at bond `a'}%
+ \else
+  \gdef\fuseAx{0}\gdef\fuseAy{406}%
+  \gdef\fuseBx{171}\gdef\fuseBy{303}%
+  \global\@sixfuseposvtrue
+ \fi
+\fi%
+\if\memBer A\relax
+ \if@sixfuseposv
+  \XyMTeXWarning{Double fused bond at bond `A'}%
+ \else
+  \gdef\fuseBx{0}\gdef\fuseBy{406}%
+  \gdef\fuseAx{171}\gdef\fuseAy{303}%
+  \global\@sixfuseposvtrue
+ \fi
+\fi%
+\if\memBer b\relax
+ \if@sixfuseposv
+  \XyMTeXWarning{Double fused bond at bond `b'}%
+ \else
+  \gdef\fuseAx{171}\gdef\fuseAy{303}%
+  \gdef\fuseBx{171}\gdef\fuseBy{103}%
+  \global\@sixfuseposvtrue
+ \fi
+\fi%
+\if\memBer B\relax
+ \if@sixfuseposv
+  \XyMTeXWarning{Double fused bonds at bond `B'}%
+ \else
+  \gdef\fuseBx{171}\gdef\fuseBy{303}%
+  \gdef\fuseAx{171}\gdef\fuseAy{103}%
+  \global\@sixfuseposvtrue
+ \fi
+\fi%
+\if\memBer c\relax
+        \XyMTeXWarning{Not-used fusion at bond `c'}%
+\fi
+\if\memBer C\relax
+        \XyMTeXWarning{Not-used fusion at bond `C'}%
+\fi
+\if\memBer d\relax
+ \if@sixfuseposv
+  \XyMTeXWarning{Double fused bonds at bond `d'}%
+ \else
+  \gdef\fuseAx{-171}\gdef\fuseAy{103}%
+  \gdef\fuseBx{-171}\gdef\fuseBy{303}%
+  \global\@sixfuseposvtrue
+ \fi
+\fi%
+\if\memBer D\relax
+ \if@sixfuseposv
+  \XyMTeXWarning{Double fused bonds at bond `D'}%
+ \else
+  \gdef\fuseBx{-171}\gdef\fuseBy{103}%
+  \gdef\fuseAx{-171}\gdef\fuseAy{303}%
+  \global\@sixfuseposvtrue
+ \fi
+\fi%
+\if\memBer e\relax
+ \if@sixfuseposv
+  \XyMTeXWarning{Double fused bonds at bond `e'}%
+ \else
+  \gdef\fuseAx{-171}\gdef\fuseAy{303}%
+  \gdef\fuseBx{0}\gdef\fuseBy{406}%
+  \global\@sixfuseposvtrue
+ \fi
+\fi%
+\if\memBer E\relax
+ \if@sixfuseposv
+  \XyMTeXWarning{Double fused bonds at bond `e'}%
+ \else
+  \gdef\fuseBx{-171}\gdef\fuseBy{303}%
+  \gdef\fuseAx{0}\gdef\fuseAy{406}%
+  \global\@sixfuseposvtrue
+ \fi
+\fi}}}% end of the macro \fivefuseposvi
+%    \end{macrocode}
+% \end{macro}
+%
+% \subsection{Horizonatl type}
+%
+% The macro |\fivefuseh| is a five-membered fragment that can be 
+% fused to another 
+% ring structure to produce a new ring system. The following 
+% numbering is adopted in this macro. 
+%
+% \begin{verbatim}
+% **********************
+% * five-membered unit *
+% *  (horizontal type) *
+% **********************
+%
+%     3  _____  2
+%       |       *
+%       |         * 1 <===== the original point
+%       |       *
+%     4  -----  5
+% \end{verbatim}
+%
+% The macro |\fivefuseh| has three arguments |ATOMLIST|, |SUBSLIST| 
+% and |FUSE| as well as an optional argument |BONDLIST|.  
+% Two optional arguments |SKBONDLIST| and |OMIT| are added to 
+% treat stereochemical information or other bond situations. 
+%
+% \begin{verbatim}
+%   \fivefuseh(SKBONDLIST)[BONDLIST]{ATOMLIST}{SUBSLIST}{FUSE}[OMIT]
+% \end{verbatim}
+%
+% The |SKBONDLIST| argument contains pairs of two alphabets in 
+% parentheses, e.g. (\{bA\}\{fB\}).  Each pair contains a lowercase 
+% character selected from bond specifiers `a' to `f' and a uppercase
+% character `A' or `B'. 
+%
+% The |BONDLIST| argument contains one 
+% character selected from a to e, each of which indicates the presence of 
+% an inner (endcyclic) double bond on the corresponding position. 
+% The option `$n+$' ($n=1$ to $5$) represents a plus charge on a hetero atom 
+% at the $n$-position. 
+%
+% \begin{verbatim}
+%     BONDLIST: list of inner double bonds 
+%
+%           a          :  1,2-double bond
+%           b          :  2,3-double bond
+%           c          :  4,3-double bond
+%           d          :  4,5-double bond
+%           e          :  5,1-double bond
+%           A          :  aromatic circle
+%           {n+}       :  plus at the n-nitrogen atom (n = 1 to 5)
+%           {0+}       :  plus (or others) at the center
+% \end{verbatim}
+%
+% The |ATOMLIST| argument contains one or more heteroatom descriptors 
+% which are separated from each other by a semicolon.  Each heteroatom 
+% descriptor consists of a locant number and a heteroatom, 
+% where these are separated with a double equality symbol. 
+%
+% \begin{verbatim}
+%     ATOMLIST: list of heteroatoms (max 5 atoms)
+%
+%       for n = 1 to 5
+%
+%           n          : Hetero atom, e.g. N, O, etc. at n-position
+%                        e.g. 1==N for N at 1-position
+% \end{verbatim}
+%
+% The |SUBSLIST| argument contains one or more substitution descriptors 
+% which are separated from each other by a semicolon.  Each substitution 
+% descriptor has a locant number with a bond modifier and a substituent, 
+% where these are separated with a double equality symbol. 
+%
+% \begin{verbatim}
+%     SUBSLIST: list of substituents
+%
+%       for n = 1 to 5 
+%
+%           nD         :  exocyclic double bond at n-atom
+%           n or nS    :  exocyclic single bond at n-atom
+%           nA         :  alpha single bond at n-atom
+%           nB         :  beta single bond at n-atom
+%           nSA        :  alpha single bond at n-atom (boldface)
+%           nSB        :  beta single bond at n-atom (dotted line)
+%           nSa        :  alpha (not specified) single bond at n-atom
+%           nSb        :  beta (not specified) single bond at n-atom
+%
+%           nSd        :  alpha single bond at n-atom (dotted line) 
+%                           with an alternative direction to nSA 
+%           nSu        :  beta single bond at n-atom (boldface) 
+%                           with an alternative direction to nSB 
+%           nFA        :  alpha single bond at n-atom (dotted line) 
+%                           for ring fusion 
+%           nFB        :  beta single bond at n-atom (boldface) 
+%                           for ring fusion 
+%           nGA        :  alpha single bond at n-atom (dotted line) 
+%                           for the other ring fusion 
+%           nGB        :  beta single bond at n-atom (boldface) 
+%                           for the other ring fusion 
+% \end{verbatim}
+%
+% The argument |FUSE| represents one bond to be omitted. 
+% The omitted edge is regarded as a fused position. 
+%
+% \begin{verbatim}
+%     FUSE:  one bond omitted (a, b, c, d, or e)
+% \end{verbatim}
+%
+% The argument |OMIT| represents one or more bonds to be omitted. 
+% The omitted edges are regarded as non-fused positions. 
+%
+% \begin{verbatim}
+%     OMIT:  one or more bonds omitted (a, b, c, d, or e)
+% \end{verbatim}
+%
+% Several examples are shown as follows.
+% \begin{verbatim}
+%       e.g. 
+%        
+%        \fivefuseh{1==N}{1==H;2==F}{a}
+% \end{verbatim}
+%
+% \begin{macro}{\fivefuseh}
+% \begin{macro}{\@five@fuseh}
+% \begin{macro}{\@five@@fuseh}
+% \begin{macro}{\@fivefuseh}
+%    \begin{macrocode}
+\def\fivefuseh{\@ifnextchar({\@five@fuseh(@}{\@five@fuseh(@)}}
+\def\@five@fuseh(#1){\@ifnextchar[{\@five@@fuseh(#1)[@}%
+{\@five@@fuseh(#1)[@]}}
+\def\@five@@fuseh(#1)[#2]#3#4#5{\@ifnextchar[%
+{\@fivefuseh(#1)[#2]{#3}{#4}{#5}[@}%
+{\@fivefuseh(#1)[#2]{#3}{#4}{#5}[@]}}
+\def\@fivefuseh(#1)[#2]#3#4#5[#6]{%
+\iniatom\iniflag%initialize
+%    \end{macrocode}
+%
+%    \begin{macrocode}
+% %%%%%%%%%%%%%%%%%%%%%%%%%%
+% % treatment of atom list %
+% %%%%%%%%%%%%%%%%%%%%%%%%%%
+\test@vertix@sixv{#3}{d}{c}{b}{f}{e}{@}%
+% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
+% % adjustment of attached positions %
+% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
+\fivefuseposh{#5}%
+\if@sixfuseposv
+ \yl@shiftii=-\fuseAx
+ \yl@shifti=-\fuseAy
+ \advance\yl@shiftii\yl@xdiff
+ \advance\yl@shifti\yl@ydiff
+ \begin{picture}(0,0)(-\yl@shiftii,-\yl@shifti)
+ \reset@yl@xydiff%1999/1/6 by S. Fujita
+\else
+ \begin{picture}(800,880)(-240,-400)%
+  \iforigpt \put(-\shifti,-\shiftii){\circle*{50}}%
+           \put(-\noshift,-\noshift){\circle{50}}% 
+   \typeout{command `fivefuseh' origin: %
+    (\the\noshift,\the\noshift) ---> (\the\shifti,\the\shiftii)}\fi%
+\fi
+%    \end{macrocode}
+%
+%    \begin{macrocode}
+% %%%%%%%%%%%%%%%%%%
+% % outer skeleton %
+% %%%%%%%%%%%%%%%%%%
+% changed FUSE to a list 1993/11/21 by Shinsaku Fujita
+{\resetbdsw%
+\@bond@fuse@omit{#5}{#6}%
+\set@skel@bondh{#1}{a}{c}% bond between 1 and 2 \@aaa -> \skbondc etc
+\set@skel@bondh{#1}{b}{b}% bond between 2 and 3 \@bbb -> \skbondb etc
+\set@skel@longbond{#1}{c}{hskbondvert}%
+      % bond between 3 and 4 \@ccc -> \hskbondvert etc
+\set@skel@bondh{#1}{d}{e}% bond between 4 and 5 \@ddd -> \skbonde etc
+\set@skel@bondh{#1}{e}{d}% bond between 5 and 6 \@eee -> \skbondd etc
+}%
+%    \end{macrocode}
+%
+%    \begin{macrocode}
+% %%%%%%%%%%%%%%%%%%%%%
+% % inner double bond %
+% %%%%%%%%%%%%%%%%%%%%%
+\@tfor\member:=#2\do{%
+\if\member r%
+\else \if\member a\relax%
+   \hbondc%
+\else \if\member b\relax%
+  \hbondb%
+\else \if\member c\relax%
+   \hbondvert%
+\else \if\member d\relax%
+  \hbonde%
+\else \if\member e\relax%
+  \hbondd%
+\else \if\member A%left aromatic circle 
+  \put(233,0){\circle{180}}%               %circle
+\else 
+% %%%%%%%%%%%%%%%%%%%%%%%%%
+% % inner bond attachment %
+% %%%%%%%%%%%%%%%%%%%%%%%%%
+    \expandafter\twoCH@@R\member//%
+    \set@fusionadd@fiveh
+\fi\fi\fi\fi\fi\fi\fi}%
+%    \end{macrocode}
+%
+%    \begin{macrocode}
+% %%%%%%%%%%%%%%%%%%%%%%%
+% % setting heteroatoms %
+% %%%%%%%%%%%%%%%%%%%%%%%
+\set@hetatom@sixh{#3}{5}{1}{5}{-1}%   % for 1 to 3
+\set@hetatom@sixh{#3}{10}{4}{7}{-1}%  % for 4 to 5
+%    \end{macrocode}
+%
+%    \begin{macrocode}
+% %%%%%%%%%%%%%%%%%%%%%%%%
+% % setting substituents %
+% %%%%%%%%%%%%%%%%%%%%%%%%
+\setsixringh{#4}{5}{1}{5}{-1}%   % for 1 to 3
+\setsixringh{#4}{10}{4}{7}{-1}%  % for 4 to 5
+\end{picture}%
+{\let\XyMTeXWarning\@gobble
+\fivefuseposh{#5}}%for FuseWaring when nested%
+\iniatom\iniflag}%  %end of \fivefuseh macro
+%    \end{macrocode}
+% \end{macro}
+% \end{macro}
+% \end{macro}
+% \end{macro}
+%
+% The macro |\fivefuseposh| is used in the definition of 
+% the |\sixfusehi| macro to detect a fused edge, where 
+% the coordinates of a reference terminal (|\fuseAx| and |\fuseAy|) 
+% and of the other terminal of the edge (|\fuseBx| and |\fuseBy|) 
+% are given for the successive process of adjustment. 
+%
+% \begin{macro}{\fivefuseposh}
+%    \begin{macrocode}
+\def\fivefuseposh#1{%
+\global\@sixfuseposvfalse
+{\resetbdsw%
+\@tfor\memBer:=#1\do{%
+\if\memBer c\relax
+        \XyMTeXWarning{Not-used fusion at bond `c'}%
+\fi
+\if\memBer C\relax
+        \XyMTeXWarning{Not-used fusion at bond `C'}%
+\fi
+\if\memBer B\relax
+ \if@sixfuseposv
+  \XyMTeXWarning{Double fused bond at bond `B'}%
+ \else
+  \gdef\fuseAx{103}\gdef\fuseAy{171}%
+  \gdef\fuseBx{303}\gdef\fuseBy{171}%
+  \global\@sixfuseposvtrue
+ \fi
+\fi%
+\if\memBer b\relax
+ \if@sixfuseposv
+  \XyMTeXWarning{Double fused bonds at bond `b'}%
+ \else
+  \gdef\fuseBx{103}\gdef\fuseBy{171}%
+  \gdef\fuseAx{303}\gdef\fuseAy{171}%
+  \global\@sixfuseposvtrue
+ \fi
+\fi%
+\if\memBer A\relax
+ \if@sixfuseposv
+  \XyMTeXWarning{Double fused bonds at bond `A'}%
+ \else
+  \gdef\fuseAx{303}\gdef\fuseAy{171}%
+  \gdef\fuseBx{406}\gdef\fuseBy{0}%
+  \global\@sixfuseposvtrue
+ \fi
+\fi%
+\if\memBer a\relax
+ \if@sixfuseposv
+  \XyMTeXWarning{Double fused bonds at bond `a'}%
+ \else
+  \gdef\fuseBx{303}\gdef\fuseBy{171}%
+  \gdef\fuseAx{406}\gdef\fuseAy{0}%
+  \global\@sixfuseposvtrue
+ \fi
+\fi%
+\if\memBer E\relax
+ \if@sixfuseposv
+  \XyMTeXWarning{Double fused bonds at bond `E'}%
+ \else
+  \gdef\fuseAx{406}\gdef\fuseAy{0}%
+  \gdef\fuseBx{303}\gdef\fuseBy{-171}%
+  \global\@sixfuseposvtrue
+ \fi
+\fi%
+\if\memBer e\relax
+ \if@sixfuseposv
+  \XyMTeXWarning{Double fused bonds at bond `e'}%
+ \else
+  \gdef\fuseBx{406}\gdef\fuseBy{0}%
+  \gdef\fuseAx{303}\gdef\fuseAy{-171}%
+  \global\@sixfuseposvtrue
+ \fi
+\fi%
+\if\memBer D\relax
+ \if@sixfuseposv
+  \XyMTeXWarning{Double fused bonds at bond `D'}%
+ \else
+  \gdef\fuseAx{303}\gdef\fuseAy{-171}%
+  \gdef\fuseBx{103}\gdef\fuseBy{-171}%
+  \global\@sixfuseposvtrue
+ \fi
+\fi%
+\if\memBer d\relax
+ \if@sixfuseposv
+  \XyMTeXWarning{Double fused bonds at bond `d'}%
+ \else
+  \gdef\fuseBx{303}\gdef\fuseBy{-171}%
+  \gdef\fuseAx{103}\gdef\fuseAy{-171}%
+  \global\@sixfuseposvtrue
+ \fi
+\fi%
+}}}% end of the macro \fivefuseposh
+%    \end{macrocode}
+% \end{macro}
+%
+% \subsection{Inverse horizontal type}
+%
+% The macro |\fivefusehi| typesets a five-membered fragment that can be 
+% fused to another 
+% ring structure to produce a new ring system. The following 
+% numbering is adopted in this macro. 
+%
+% \begin{verbatim}
+% ************************************
+% * five-membered fusing unit        *
+% *  (horizontal type, inverse type) *
+% ************************************
+%
+%                       2  -----  3
+%                        *       |
+% the original point 1 *         |
+%                        *       |
+%                           _____|
+%                        5        4
+% \end{verbatim}
+%
+% The macro |\fivefusehi| has three arguments |ATOMLIST|, |SUBSLIST| 
+% and |FUSE| 
+% as well as an optional argument |BONDLIST|.  
+% Two optional arguments |SKBONDLIST| and |OMIT| are added to 
+% treat stereochemical information or other bond situations. 
+%
+% \begin{verbatim}
+%   \fivefusehi(SKBONDLIST)[BONDLIST]{ATOMLIST}{SUBSLIST}{FUSE}[OMIT]
+% \end{verbatim}
+%
+% The |SKBONDLIST| argument contains pairs of two alphabets in 
+% parentheses, e.g. (\{bA\}\{fB\}).  Each pair contains a lowercase 
+% character selected from bond specifiers `a' to `f' and a uppercase
+% character `A' or `B'. 
+%
+% The |BONDLIST| argument contains one 
+% character selected from a to e, each of which indicates the presence of 
+% an inner (endcyclic) double bond on the corresponding position. 
+% The option `$n+$' ($n=1$ to $5$) represents a plus charge on a hetero atom 
+% at the $n$-position. 
+%
+% \begin{verbatim}
+%     BONDLIST: list of inner double bonds 
+%
+%           a          :  1,2-double bond
+%           b          :  2,3-double bond
+%           c          :  4,3-double bond
+%           d          :  4,5-double bond
+%           e          :  5,1-double bond
+%           A          :  aromatic circle
+%           {n+}       :  plus at the n-nitrogen atom (n = 1 to 5)
+%           {0+}       :  plus (or others) at the center
+% \end{verbatim}
+%
+% The |ATOMLIST| argument contains one or more heteroatom descriptors 
+% which are separated from each other by a semicolon.  Each heteroatom 
+% descriptor consists of a locant number and a heteroatom, 
+% where these are separated with a double equality symbol. 
+%
+% \begin{verbatim}
+%     ATOMLIST: list of heteroatoms (max 5 atoms)
+%
+%       for n = 1 to 5
+%
+%           n          : Hetero atom, e.g. N, O, etc. at n-position
+%                        e.g. 1==N for N at 1-position
+% \end{verbatim}
+%
+% The |SUBSLIST| argument contains one or more substitution descriptors 
+% which are separated from each other by a semicolon.  Each substitution 
+% descriptor has a locant number with a bond modifier and a substituent, 
+% where these are separated with a double equality symbol. 
+%
+% \begin{verbatim}
+%     SUBSLIST: list of substituents
+%
+%       for n = 1 to 5 
+%
+%           nD         :  exocyclic double bond at n-atom
+%           n or nS    :  exocyclic single bond at n-atom
+%           nA         :  alpha single bond at n-atom
+%           nB         :  beta single bond at n-atom
+%           nSA        :  alpha single bond at n-atom (boldface)
+%           nSB        :  beta single bond at n-atom (dotted line)
+%           nSa        :  alpha (not specified) single bond at n-atom
+%           nSb        :  beta (not specified) single bond at n-atom
+%
+%           nSd        :  alpha single bond at n-atom (dotted line) 
+%                           with an alternative direction to nSA 
+%           nSu        :  beta single bond at n-atom (boldface) 
+%                           with an alternative direction to nSB 
+%           nFA        :  alpha single bond at n-atom (dotted line) 
+%                           for ring fusion 
+%           nFB        :  beta single bond at n-atom (boldface) 
+%                           for ring fusion 
+%           nGA        :  alpha single bond at n-atom (dotted line) 
+%                           for the other ring fusion 
+%           nGB        :  beta single bond at n-atom (boldface) 
+%                           for the other ring fusion 
+% \end{verbatim}
+%
+% The argument |FUSE| represents one bond to be omitted. 
+% The omitted edge is regarded as a fused position. 
+%
+% \begin{verbatim}
+%     FUSE:  one bond omitted (a, b, c, d, or e)
+% \end{verbatim}
+%
+% The argument |OMIT| represents one or more bonds to be omitted. 
+% The omitted edges are regarded as non-fused positions. 
+%
+% \begin{verbatim}
+%     OMIT:  one or more bonds omitted (a, b, c, d, e, or f)
+% \end{verbatim}
+%
+% Several examples are shown as follows.
+% \begin{verbatim}
+%       e.g. 
+%        
+%        \fivefusehi{1==N}{1==H;2==F}{a}
+% \end{verbatim}
+%
+% \begin{macro}{\fivefusehi}
+% \begin{macro}{\@five@fusehi}
+% \begin{macro}{\@five@@fusehi}
+% \begin{macro}{\@fivefusehi}
+%    \begin{macrocode}
+\def\fivefusehi{\@ifnextchar({\@five@fusehi(@}{\@five@fusehi(@)}}
+\def\@five@fusehi(#1){\@ifnextchar[{\@five@@fusehi(#1)[@}%
+{\@five@@fusehi(#1)[@]}}
+\def\@five@@fusehi(#1)[#2]#3#4#5{\@ifnextchar[%
+{\@fivefusehi(#1)[#2]{#3}{#4}{#5}[@}%
+{\@fivefusehi(#1)[#2]{#3}{#4}{#5}[@]}}
+\def\@fivefusehi(#1)[#2]#3#4#5[#6]{%
+\iniatom\iniflag%initialize
+%    \end{macrocode}
+%
+%    \begin{macrocode}
+% %%%%%%%%%%%%%%%%%%%%%%%%%%
+% % treatment of atom list %
+% %%%%%%%%%%%%%%%%%%%%%%%%%%
+\test@vertix@sixv{#3}{a}{b}{c}{e}{f}{@}%
+% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
+% % adjustment of attached positions %
+% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
+\fivefuseposhi{#5}%
+\if@sixfuseposv
+ \yl@shiftii=-\fuseAx
+ \yl@shifti=-\fuseAy
+ \advance\yl@shiftii\yl@xdiff
+ \advance\yl@shifti\yl@ydiff
+ \begin{picture}(0,0)(-\yl@shiftii,-\yl@shifti)
+ \reset@yl@xydiff%1999/1/6 by S. Fujita
+\else
+ \begin{picture}(800,880)(-240,-400)%
+  \iforigpt \put(-\shifti,-\shiftii){\circle*{50}}%
+           \put(-\noshift,-\noshift){\circle{50}}% 
+   \typeout{command `fivefusehi' origin: %
+    (\the\noshift,\the\noshift) ---> (\the\shifti,\the\shiftii)}\fi%
+\fi
+%    \end{macrocode}
+%
+%    \begin{macrocode}
+% %%%%%%%%%%%%%%%%%%
+% % outer skeleton %
+% %%%%%%%%%%%%%%%%%%
+% changed FUSE to a list 1993/11/21 by Shinsaku Fujita
+{\resetbdsw%
+\@bond@fuse@omit{#5}{#6}%
+\set@skel@bondh{#1}{a}{a}% bond between 1 and 2 \@aaa -> \hskbonda etc
+\set@skel@bondh{#1}{b}{b}% bond between 2 and 3 \@bbb -> \hskbondb etc
+\set@skel@longbond{#1}{c}{hskbondverti}%
+      % bond between 3 and 4 \@ccc -> \hskbondverti etc
+\set@skel@bondh{#1}{d}{e}% bond between 4 and 5 \@ddd -> \hskbonde etc
+\set@skel@bondh{#1}{e}{f}% bond between 5 and 6 \@eee -> \hskbondf etc
+}%
+%    \end{macrocode}
+%
+%    \begin{macrocode}
+% %%%%%%%%%%%%%%%%%%%%%
+% % inner double bond %
+% %%%%%%%%%%%%%%%%%%%%%
+\@tfor\member:=#2\do{%
+\if\member r%
+\else \if\member a\relax%
+   \hbonda%
+\else \if\member b\relax%
+  \hbondb%
+\else \if\member c\relax%
+   \hbondverti%
+\else \if\member d\relax%
+  \hbonde%
+\else \if\member e\relax%
+  \hbondf%
+\else \if\member A%left aromatic circle 
+  \put(173,0){\circle{180}}%                %circle
+\else 
+% %%%%%%%%%%%%%%%%%%%%%%%%%
+% % inner bond attachment %
+% %%%%%%%%%%%%%%%%%%%%%%%%%
+    \expandafter\twoCH@@R\member//%
+    \set@fusionadd@fivehi
+\fi\fi\fi\fi\fi\fi\fi}%
+%    \end{macrocode}
+%
+%    \begin{macrocode}
+% %%%%%%%%%%%%%%%%%%%%%%%
+% % setting heteroatoms %
+% %%%%%%%%%%%%%%%%%%%%%%%
+\set@hetatom@sixh{#3}{0}{0}{4}{0}%  % for 1 to 3
+\set@hetatom@sixh{#3}{1}{4}{7}{0}%  % for 4 to 5
+%    \end{macrocode}
+%
+%    \begin{macrocode}
+% %%%%%%%%%%%%%%%%%%%%%%%%
+% % setting substituents %
+% %%%%%%%%%%%%%%%%%%%%%%%%
+\setsixringh{#4}{0}{0}{4}{0}%  % for 1 to 3
+\setsixringh{#4}{1}{4}{7}{0}%  % for 4 to 5
+\end{picture}%
+{\let\XyMTeXWarning\@gobble
+\fivefuseposhi{#5}}%for FuseWaring when nested
+\iniatom\iniflag}%      %end of \fivefusehi macro
+%    \end{macrocode}
+% \end{macro}
+% \end{macro}
+% \end{macro}
+% \end{macro}
+%
+% The macro |\fivefuseposhi| is used in the definition of 
+% the |\sixfuseh| macro to detect a fused edge, where 
+% the coordinates of a reference terminal (|\fuseAx| and |\fuseAy|) 
+% and of the other terminal of the edge (|\fuseBx| and |\fuseBy|) 
+% are given for the successive process of adjustment. 
+%
+% \begin{macro}{\fivefuseposhi}
+%    \begin{macrocode}
+\def\fivefuseposhi#1{%
+\global\@sixfuseposvfalse
+{\resetbdsw%
+\@tfor\memBer:=#1\do{%
+\if\memBer a\relax
+ \if@sixfuseposv
+  \XyMTeXWarning{Double fused bond at bond `a'}%
+ \else
+  \gdef\fuseAx{0}\gdef\fuseAy{0}%
+  \gdef\fuseBx{103}\gdef\fuseBy{171}%
+  \global\@sixfuseposvtrue
+ \fi
+\fi%
+\if\memBer A\relax
+ \if@sixfuseposv
+  \XyMTeXWarning{Double fused bond at bond `A'}%
+ \else
+  \gdef\fuseBx{0}\gdef\fuseBy{0}%
+  \gdef\fuseAx{103}\gdef\fuseAy{171}%
+  \global\@sixfuseposvtrue
+ \fi
+\fi%
+\if\memBer b\relax
+ \if@sixfuseposv
+  \XyMTeXWarning{Double fused bond at bond `b'}%
+ \else
+  \gdef\fuseAx{103}\gdef\fuseAy{171}%
+  \gdef\fuseBx{303}\gdef\fuseBy{171}%
+  \global\@sixfuseposvtrue
+ \fi
+\fi%
+\if\memBer B\relax
+ \if@sixfuseposv
+  \XyMTeXWarning{Double fused bonds at bond `B'}%
+ \else
+  \gdef\fuseBx{103}\gdef\fuseBy{171}%
+  \gdef\fuseAx{303}\gdef\fuseAy{171}%
+  \global\@sixfuseposvtrue
+ \fi
+\fi%
+\if\memBer c\relax
+        \XyMTeXWarning{Not-used fusion at bond `c'}%
+\fi
+\if\memBer C\relax
+        \XyMTeXWarning{Not-used fusion at bond `C'}%
+\fi
+\if\memBer d\relax
+ \if@sixfuseposv
+  \XyMTeXWarning{Double fused bonds at bond `d'}%
+ \else
+  \gdef\fuseAx{303}\gdef\fuseAy{-171}%
+  \gdef\fuseBx{103}\gdef\fuseBy{-171}%
+  \global\@sixfuseposvtrue
+ \fi
+\fi%
+\if\memBer D\relax
+ \if@sixfuseposv
+  \XyMTeXWarning{Double fused bonds at bond `D'}%
+ \else
+  \gdef\fuseBx{303}\gdef\fuseBy{-171}%
+  \gdef\fuseAx{103}\gdef\fuseAy{-171}%
+  \global\@sixfuseposvtrue
+ \fi
+\fi%
+\if\memBer e\relax
+ \if@sixfuseposv
+  \XyMTeXWarning{Double fused bonds at bond `e'}%
+ \else
+  \gdef\fuseAx{103}\gdef\fuseAy{-171}%
+  \gdef\fuseBx{0}\gdef\fuseBy{0}%
+  \global\@sixfuseposvtrue
+ \fi
+\fi%
+\if\memBer E\relax
+ \if@sixfuseposv
+  \XyMTeXWarning{Double fused bonds at bond `E'}%
+ \else
+  \gdef\fuseBx{103}\gdef\fuseBy{-171}%
+  \gdef\fuseAx{0}\gdef\fuseAy{0}%
+  \global\@sixfuseposvtrue
+ \fi
+\fi}}}% end of the macro \fivefuseposhi
+%    \end{macrocode}
+% \end{macro}
+%
+% \section{Four-membered fused ring unit}
+%
+% The macro |\fourfuse| typesets a four-membered ring unit for ring fusion.  
+% The following numbering is adopted in this macro. 
+%
+% \begin{verbatim}
+% **************************
+% * fourfuse derivatives   *
+% *  (vertical type)       *
+% **************************
+% The following numbering is adopted in this macro. 
+%
+%          c
+%     4  _____  3
+%    d  |     |  b
+%       |     |
+%     1  -----  2<===== the original point
+%          a
+% \end{verbatim}
+%
+% The macro |\fourfuse| has two arguments |ATOMLIST|, |SUBSLIST| and |FUSE| 
+% as well as an optional argument |BONDLIST|.  
+% Two optional arguments |SKBONDLIST| and |OMIT| are added to 
+% treat stereochemical information or other bond situations. 
+%
+% \begin{verbatim}
+%   \fourfuse(SKBONDLIST)[BONDLIST]{ATOMLIST}{SUBSLIST}{FUSE}[OMIT]
+% \end{verbatim}
+%
+% The |SKBONDLIST| argument contains pairs of two alphabets in 
+% parentheses, e.g. (\{bA\}\{fB\}).  Each pair contains a lowercase 
+% character selected from bond specifiers `a' to `f' and a uppercase
+% character `A' or `B'. 
+%
+% The |BONDLIST| argument contains one 
+% character selected from a to e, each of which indicates the presence of 
+% an inner (endcyclic) double bond on the corresponding position. 
+% The option `$n+$' ($n=1$ to $4$) represents a plus charge on a hetero atom 
+% at the $n$-position. 
+%
+% \begin{verbatim}
+%     BONDLIST: list of inner double bonds 
+%
+%           a          :  1,2-double bond
+%           b          :  2,3-double bond
+%           c          :  4,3-double bond
+%           e          :  4,1-double bond
+%
+%           {n+}       :  plus at the n-nitrogen atom (n = 1 to 4)
+% \end{verbatim}
+%
+% The |ATOMLIST| argument contains one or more heteroatom descriptors 
+% which are separated from each other by a semicolon.  Each heteroatom 
+% descriptor consists of a locant number and a heteroatom, 
+% where these are separated with a double equality symbol. 
+%
+% \begin{verbatim}
+%     ATOMLIST: list of heteroatoms (max 4 atoms)
+%
+%       for n = 1 to 4
+%
+%           n          : Hetero atom, e.g. N, O, etc. at n-position
+%                        e.g. 1==N for N at 1-position
+% \end{verbatim}
+%
+% The |SUBSLIST| argument contains one or more substitution descriptors 
+% which are separated from each other by a semicolon.  Each substitution 
+% descriptor has a locant number with a bond modifier and a substituent, 
+% where these are separated with a double equality symbol. 
+%
+% \begin{verbatim}
+%     SUBSLIST: list of substituents
+%
+%       for n = 1 to 4 
+%
+%           nD         :  exocyclic double bond at n-atom
+%           n or nS    :  exocyclic single bond at n-atom
+%           nA         :  alpha single bond at n-atom
+%           nB         :  beta single bond at n-atom
+%           nSA        :  alpha single bond at n-atom (boldface)
+%           nSB        :  beta single bond at n-atom (dotted line)
+%           nSa        :  alpha (not specified) single bond at n-atom
+%           nSb        :  beta (not specified) single bond at n-atom
+%
+%           nSd        :  alpha single bond at n-atom (dotted line) 
+%                           with an alternative direction to nSA 
+%           nSu        :  beta single bond at n-atom (boldface) 
+%                           with an alternative direction to nSB 
+%           nFA        :  alpha single bond at n-atom (dotted line) 
+%                           for ring fusion 
+%           nFB        :  beta single bond at n-atom (boldface) 
+%                           for ring fusion 
+%           nGA        :  alpha single bond at n-atom (dotted line) 
+%                           for the other ring fusion 
+%           nGB        :  beta single bond at n-atom (boldface) 
+%                           for the other ring fusion 
+% \end{verbatim}
+%
+% The argument |FUSE| represents one bond to be omitted. 
+% The omitted edge is regarded as a fused position. 
+%
+% \begin{verbatim}
+%     FUSE:  one bond omitted (a, b, c, or d)
+% \end{verbatim}
+%
+% The argument |OMIT| represents one or more bonds to be omitted. 
+% The omitted edges are regarded as non-fused positions. 
+%
+% \begin{verbatim}
+%     OMIT:  one or more bonds omitted (a, b, c, or d)
+% \end{verbatim}
+%
+% Several examples are shown as follows.
+% \begin{verbatim}
+%       e.g. 
+%        
+%        \fourfuse{1==N}{1==H;2==F}{c}
+%        \fourfuse[c]{1==N}{1==Cl;4==F;2==CH$_{3}$}{a}
+% \end{verbatim}
+%
+% \changes{v1.02}{1998/10/31}{Adding \cs{ylposition}, \cs{if@ylsw},
+% \cs{yl@shifti}, \cs{@ylii}, \cs{yl@shiftii}, \cs{@ylii}, 
+% \cs{yl@xdiff} and \cs{yl@ydiff}}
+% \changes{v2.00}{1998/12/5}{Add: spiro and fused rings}
+%
+% \begin{macro}{\fourfuse}
+% \begin{macro}{\@four@fuse}
+% \begin{macro}{\@four@@fuse}
+% \begin{macro}{\@fourfuse}
+%    \begin{macrocode}
+\def\fourfuse{\@ifnextchar({\@four@fuse(@}{\@four@fuse(@)}}
+\def\@four@fuse(#1){\@ifnextchar[{\@four@@fuse(#1)[@}%
+{\@four@@fuse(#1)[@]}}
+\def\@four@@fuse(#1)[#2]#3#4#5{\@ifnextchar[%
+{\@fourfuse(#1)[#2]{#3}{#4}{#5}[@}%
+{\@fourfuse(#1)[#2]{#3}{#4}{#5}[@]}}
+\def\@fourfuse(#1)[#2]#3#4#5[#6]{%
+%    \end{macrocode}
+%
+%    \begin{macrocode}
+% %%%%%%%%%%%%%%%%%%%%%%%%%%
+% % treatment of atom list %
+% %%%%%%%%%%%%%%%%%%%%%%%%%%
+\iniatom\iniflag%initialize
+\test@vertix@sixv{#3}{e}{c}{b}{f}{@}{@}%
+% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
+% % adustment of subs positions %
+% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
+\fourfusepos{#5}%
+\if@sixfuseposv
+ \yl@shiftii=-\fuseAx
+ \yl@shifti=-\fuseAy
+ \advance\yl@shiftii\yl@xdiff
+ \advance\yl@shifti\yl@ydiff
+ \begin{picture}(0,0)(-\yl@shiftii,-\yl@shifti)
+ \reset@yl@xydiff%1999/1/6 by S. Fujita
+\else
+\begin{picture}(800,880)(-571,-137)%
+  \iforigpt\put(-571,-137){\circle*{50}}%
+           \put(-171,103){\circle{50}}% 
+   \typeout{command `fourfuse' origin: %
+    (\the\noshift,\the\noshift) ---> (\the\shiftii,\the\shifti)}\fi%
+\fi
+%    \end{macrocode}
+%
+%    \begin{macrocode}
+% %%%%%%%%%%%%%%%%%%
+% % outer skeleton %
+% %%%%%%%%%%%%%%%%%%
+{\resetbdsw%
+\@bond@fuse@omit{#5}{#6}%
+\put(0,0){\set@skel@longbond{#1}{a}{skbondshorizi}}%
+       % bond between 1 and 2 \@aaa -> \skbondshorizi etc
+\put(-142,0){\set@skel@bond{#1}{b}{b}}%
+       % bond between 2 and 3 \@bbb -> \skbondb etc
+\put(0,0){\set@skel@longbond{#1}{c}{skbondshoriz}}%
+      % bond between 3 and 4 \@ccc -> \skbondshoriz etc
+\put(0,0){\set@skel@bond{#1}{d}{e}}%
+     % bond between 4 and 1 \@ddd -> \skbonde etc
+}%
+%    \end{macrocode}
+%
+%    \begin{macrocode}
+% %%%%%%%%%%%%%%%%%%%%%
+% % inner double bond %
+% %%%%%%%%%%%%%%%%%%%%%
+\@tfor\member:=#2\do{%
+\if\member r%
+\else\if\member a\relax \put(0,0){\bondshorizi}%
+\else\if\member b\relax \put(-142,0){\bondb}%
+\else\if\member c\relax \put(0,0){\bondshoriz}%
+\else\if\member d\relax \put(0,0){\bonde}%
+\else 
+% %%%%%%%%%%%%%%%%%%%%%%%%%
+% % inner bond attachment %
+% %%%%%%%%%%%%%%%%%%%%%%%%%
+   \expandafter\twoCH@@R\member//%
+    \set@fusionadd@fourv
+\fi\fi\fi\fi\fi}%
+%    \end{macrocode}
+%
+%    \begin{macrocode}
+% %%%%%%%%%%%%%%%%%%%%%%%
+% % setting heteroatoms %
+% %%%%%%%%%%%%%%%%%%%%%%%
+\put(-142,0){\set@hetatom@sixv{#3}{5}{1}{4}{-1}}% for 2 to 3
+\put(0,0){\set@hetatom@sixv{#3}{4}{4}{6}{0}}% for 1
+\put(0,0){\set@hetatom@sixv{#3}{2}{5}{7}{0}}% for 4
+%    \end{macrocode}
+%
+%    \begin{macrocode}
+% %%%%%%%%%%%%%%%%%%%%%%%%
+% % setting substituents %
+% %%%%%%%%%%%%%%%%%%%%%%%%
+\put(-142,0){\setsixringv{#4}{5}{1}{4}{-1}}% for 2 to 3
+\put(0,0){\setsixringv{#4}{4}{4}{6}{0}}% for 1
+\put(0,0){\setsixringv{#4}{2}{5}{7}{0}}% for 4
+\end{picture}%
+\fourfusepos{#5}%%for FuseWaring when nested
+\iniatom\iniflag
+\global\@smallringswtrue%for permition at a center bond
+}%     %end of \fourfuse macro
+%    \end{macrocode}
+% \end{macro}
+% \end{macro}
+% \end{macro}
+% \end{macro}
+%
+% The macro |\fourfusepos| is used in the definition of 
+% the |\sixfuseh| macro to detect a fused edge, where 
+% the coordinates of a reference terminal (|\fuseAx| and |\fuseAy|) 
+% and of the other terminal of the edge (|\fuseBx| and |\fuseBy|) 
+% are given for the successive process of adjustment. 
+%
+% \begin{macro}{\fourfusepos}
+%    \begin{macrocode}
+\def\fourfusepos#1{%
+\global\@sixfuseposvfalse
+{\resetbdsw%
+\@tfor\memBer:=#1\do{%
+\if\memBer a\relax
+ \if@sixfuseposv
+  \XyMTeXWarning{Double fused bond at bond `a'}%
+ \else
+  \gdef\fuseAx{-171}\gdef\fuseAy{103}%
+  \gdef\fuseBx{29}\gdef\fuseBy{103}%
+  \global\@sixfuseposvtrue
+ \fi
+\fi%
+\if\memBer A\relax
+ \if@sixfuseposv
+  \XyMTeXWarning{Double fused bond at bond `A'}%
+ \else
+  \gdef\fuseBx{-171}\gdef\fuseBy{103}%
+  \gdef\fuseAx{29}\gdef\fuseAy{103}%
+  \global\@sixfuseposvtrue
+ \fi
+\fi%
+\if\memBer b\relax
+ \if@sixfuseposv
+  \XyMTeXWarning{Double fused bond at bond `b'}%
+ \else
+  \gdef\fuseAx{29}\gdef\fuseAy{103}%
+  \gdef\fuseBx{29}\gdef\fuseBy{303}%
+  \global\@sixfuseposvtrue
+ \fi
+\fi%
+\if\memBer B\relax
+ \if@sixfuseposv
+  \XyMTeXWarning{Double fused bonds at bond `B'}%
+ \else
+  \gdef\fuseBx{29}\gdef\fuseBy{103}%
+  \gdef\fuseAx{29}\gdef\fuseAy{303}%
+  \global\@sixfuseposvtrue
+ \fi
+\fi%
+\if\memBer c\relax
+ \if@sixfuseposv
+  \XyMTeXWarning{Double fused bonds at bond `c'}%
+ \else
+  \gdef\fuseAx{29}\gdef\fuseAy{303}%
+  \gdef\fuseBx{-171}\gdef\fuseBy{303}%
+  \global\@sixfuseposvtrue
+ \fi
+\fi%
+\if\memBer C\relax
+ \if@sixfuseposv
+  \XyMTeXWarning{Double fused bonds at bond `C'}%
+ \else
+  \gdef\fuseBx{29}\gdef\fuseBy{303}%
+  \gdef\fuseAx{-171}\gdef\fuseAy{303}%
+  \global\@sixfuseposvtrue
+ \fi
+\fi%
+\if\memBer d\relax
+ \if@sixfuseposv
+  \XyMTeXWarning{Double fused bonds at bond `d'}%
+ \else
+  \gdef\fuseAx{-171}\gdef\fuseAy{303}%
+  \gdef\fuseBx{-171}\gdef\fuseBy{103}%
+  \global\@sixfuseposvtrue
+ \fi
+\fi%
+\if\memBer D\relax
+ \if@sixfuseposv
+  \XyMTeXWarning{Double fused bonds at bond `D'}%
+ \else
+  \gdef\fuseBx{-171}\gdef\fuseBy{303}%
+  \gdef\fuseAx{-171}\gdef\fuseAy{103}%
+  \global\@sixfuseposvtrue
+ \fi
+\fi%
+}}}% end of the macro \fourfusepos
+%    \end{macrocode}
+% \end{macro}
+%
+% \section{Three-membered fusing unit}
+% \subsection{Vertical type}
+%
+% The macro |\threefusev| typesets a three-membered ring to be fused.  
+% The following numbering is adopted in this macro. 
+%
+% \begin{verbatim}
+% **********************
+% * theree fusing unit *
+% *  (vertical type)   *
+% **********************
+%
+%         b
+%     3--------2
+%    c `     / a
+%        `1/ <===== the original point
+% \end{verbatim}
+%
+% The macro |\threefusev| has two arguments |ATOMLIST|, |SUBSLIST| and 
+% |FUSE| as well as an optional argument |BONDLIST|.  
+% Two optional arguments |SKBONDLIST| and |OMIT| are added to 
+% treat stereochemical information or other bond situations. 
+%
+% \begin{verbatim}
+%   \threefusev(SKBONDLIST)[BONDLIST]{ATOMLIST}{SUBSLIST}{FUSE}[OMIT]
+% \end{verbatim}
+%
+% The |SKBONDLIST| argument contains pairs of two alphabets in 
+% parentheses, e.g. (\{bA\}\{fB\}).  Each pair contains a lowercase 
+% character selected from bond specifiers `a' to `f' and a uppercase
+% character `A' or `B'. 
+%
+% The |BONDLIST| argument contains one 
+% character selected from a to c, each of which indicates the presence of 
+% an inner (endcyclic) double bond on the corresponding position. 
+% The option `$n+$' ($n=1$ to $3$) represents a plus charge on a hetero atom 
+% at the $n$-position. 
+% The option `$n+$' ($n=4$ to $6$) represents a plus charge outside the ring. 
+% The option `$0+$' typesets a plus charge at the center of the ring. 
+%
+% \begin{verbatim}
+%     BONDLIST = 
+%
+%           none       :  saturated 
+%           a          :  1,2-double bond
+%           b          :  2,3-double bond
+%           c          :  3,1-double bond
+%           A          :  aromatic circle 
+%           {n+}       :  plus at the n-hetero atom (n = 1 to 3)
+%                      :  n=4 -- outer plus at 1 position
+%                      :  n=5 -- outer plus at 2 position
+%                      :  n=6 -- outer plus at 3 position
+%           {0+}       :  plus at the center of a cyclopropane ring
+% \end{verbatim}
+%
+% The |ATOMLIST| argument contains one or more heteroatom descriptors 
+% which are separated from each other by a semicolon.  Each heteroatom 
+% descriptor consists of a locant number and a heteroatom, 
+% where these are separated with a double equality symbol. 
+%
+% \begin{verbatim}
+%     ATOMLIST: list of heteroatoms (max 3 atoms)
+%
+%       for n = 1 to 3
+%
+%           n          : Hetero atom, e.g. N, O, etc. at n-position, 
+%                        e.g. 1==N for N at 1-position
+% \end{verbatim}
+%
+% The |SUBSLIST| argument contains one or more substitution descriptors 
+% which are separated from each other by a semicolon.  Each substitution 
+% descriptor has a locant number with a bond modifier and a substituent, 
+% where these are separated with a double equality symbol. 
+%
+% \begin{verbatim}
+%     SUBSLIST: list of substituents
+%
+%       for n = 1 to 3 
+%
+%           nD         :  exocyclic double bond at n-atom
+%           n or nS    :  exocyclic single bond at n-atom
+%           nA         :  alpha single bond at n-atom
+%           nB         :  beta single bond at n-atom
+%           nSA        :  alpha single bond at n-atom (boldface)
+%           nSB        :  beta single bond at n-atom (dotted line)
+%           nSa        :  alpha (not specified) single bond at n-atom
+%           nSb        :  beta (not specified) single bond at n-atom
+%
+%           nSd        :  alpha single bond at n-atom (dotted line) 
+%                           with an alternative direction to nSA 
+%           nSu        :  beta single bond at n-atom (boldface) 
+%                           with an alternative direction to nSB 
+%           nFA        :  alpha single bond at n-atom (dotted line) 
+%                           for ring fusion 
+%           nFB        :  beta single bond at n-atom (boldface) 
+%                           for ring fusion 
+%           nGA        :  alpha single bond at n-atom (dotted line) 
+%                           for the other ring fusion 
+%           nGB        :  beta single bond at n-atom (boldface) 
+%                           for the other ring fusion 
+% \end{verbatim}
+%
+% The argument |FUSE| represents one bond to be omitted. 
+% The omitted edge is regarded as a fused position. 
+%
+% \begin{verbatim}
+%     FUSE:  one bond omitted (a, b, or c)
+% \end{verbatim}
+%
+% The argument |OMIT| represents one or more bonds to be omitted. 
+% The omitted edges are regarded as non-fused positions. 
+%
+% \begin{verbatim}
+%     OMIT:  one or more bonds omitted (a, b, or c)
+% \end{verbatim}
+%
+% Several examples are shown as follows.
+% \begin{verbatim}
+%       e.g. 
+%        
+%        \threefusev{1==N}{1==Cl;2==F}{b}
+% \end{verbatim}
+%
+% \changes{v1.02}{1998/10/31}{Adding \cs{ylposition}, \cs{if@ylsw},
+% \cs{yl@shifti}, \cs{@ylii}, \cs{yl@shiftii}, \cs{@ylii}, 
+% \cs{yl@xdiff} and \cs{yl@ydiff}}
+% \changes{v2.00}{1998/12/5}{Add: spiro and fused rings}
+%
+% \begin{macro}{\threefusev}
+% \begin{macro}{\@three@fusev}
+% \begin{macro}{\@three@@fusev}
+% \begin{macro}{\@threefusev}
+%    \begin{macrocode}
+\def\threefusev{\@ifnextchar({\@three@fusev(@}{\@three@fusev(@)}}
+\def\@three@fusev(#1){\@ifnextchar[{\@three@@fusev(#1)[@}%
+{\@three@@fusev(#1)[@]}}
+\def\@three@@fusev(#1)[#2]#3#4#5{\@ifnextchar[%
+{\@threefusev(#1)[#2]{#3}{#4}{#5}[@}%
+{\@threefusev(#1)[#2]{#3}{#4}{#5}[@]}}
+\def\@threefusev(#1)[#2]#3#4#5[#6]{%
+%    \end{macrocode}
+%
+%    \begin{macrocode}
+% %%%%%%%%%%%%%%%%%%%%%%%%%%
+% % treatment of atom list %
+% %%%%%%%%%%%%%%%%%%%%%%%%%%
+\iniatom\iniflag%initialize
+\test@vertix@sixv{#3}{d}{b}{f}{@}{@}{@}%
+% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
+% % adustment of subs positions %
+% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
+\threefuseposv{#5}%
+\if@sixfuseposv
+ \yl@shiftii=-\fuseAx
+ \yl@shifti=-\fuseAy
+ \advance\yl@shiftii\yl@xdiff
+ \advance\yl@shifti\yl@ydiff
+ \begin{picture}(0,0)(-\yl@shiftii,-\yl@shifti)
+ \reset@yl@xydiff%1999/1/6 by S. Fujita
+\else
+\begin{picture}(800,580)(-468,-240)%
+  \iforigpt \put(-468,-240){\circle*{50}}%
+           \put(-68,0){\circle{50}}% 
+   \typeout{command `threefusevv' origin: %
+    (68,0) ---> (468,240)}\fi%
+\fi
+%    \end{macrocode}
+%
+%    \begin{macrocode}
+% %%%%%%%%%%%%%%%%%%
+% % outer skeleton %
+% %%%%%%%%%%%%%%%%%%
+{\resetbdsw%
+\@bond@fuse@omit{#5}{#6}%
+\put(-68,0){\set@skel@longbond{#1}{a}{skbondtria}}%
+       % bond between 1 and 2 \@aaa -> \skbondtria etc
+\put(0,-132){\set@skel@longbond{#1}{b}{skbondshoriz}}%
+       % bond between 2 and 3 \@bbb -> \skbondb etc
+\put(-68,0){\set@skel@longbond{#1}{c}{skbondtrib}}%
+       % bond between 3 and 1 \@ccc -> \skbondtria etc
+}%
+%    \end{macrocode}
+%
+%    \begin{macrocode}
+% %%%%%%%%%%%%%%%%%%%%%
+% % inner double bond %
+% %%%%%%%%%%%%%%%%%%%%%
+\@tfor\member:=#2\do{%
+\if\member r\relax%
+\else\if\member a\relax\put(-68,0){\bondtria}%
+\else\if\member b\relax\put(0,-126){\bondshoriz}%
+\else\if\member c\relax\put(-68,0){\bondtrib}%
+\else\if\member A\relax% aromatic circle 
+  \put(-70,108){\circle{100}}%               %circle
+\else
+% %%%%%%%%%%%%%%%%%%%%%%%%%
+% % inner bond attachment %
+% %%%%%%%%%%%%%%%%%%%%%%%%%
+   \expandafter\twoCH@@R\member//%
+    \set@fusionadd@threev
+\fi\fi\fi\fi\fi%
+}%
+%    \end{macrocode}
+%
+%    \begin{macrocode}
+% %%%%%%%%%%%%%%%%%%%%%%%%
+% % setting hetero atoms %
+% %%%%%%%%%%%%%%%%%%%%%%%%
+\put(-68,0){\set@hetatom@sixv{#3}{3}{3}{5}{0}%
+\if@clip\global\@cliptrue\fi
+}%subst 1
+\put(-142,-132){\set@hetatom@sixv{#3}{0}{1}{3}{0}%
+\if@bclip\global\@bcliptrue\fi
+}%subst 2
+\put(0,-132){\set@hetatom@sixv{#3}{3}{5}{7}{0}%
+\if@fclip\global\@fcliptrue\fi
+}%subst 3
+%    \end{macrocode}
+%
+%    \begin{macrocode}
+% %%%%%%%%%%%%%%%%%%%%%%%%
+% % setting substituents %
+% %%%%%%%%%%%%%%%%%%%%%%%%
+\put(-68,0){\setsixringv{#4}{3}{3}{5}{0}}%subst 1
+\put(-142,-132){\setsixringv{#4}{0}{1}{3}{0}}%subst 2
+\put(0,-132){\setsixringv{#4}{3}{5}{7}{0}}%subst 3
+\end{picture}%
+\threefuseposv{#5}%%for FuseWaring when nested
+\iniatom\iniflag
+\global\@smallringswtrue%for permition at a center bond
+}%     %end of \threefusev macro
+%    \end{macrocode}
+% \end{macro}
+% \end{macro}
+% \end{macro}
+% \end{macro}
+%
+% The macro |\threefuseposv| is used in the definition of 
+% the |\threefusev| macro to detect a fused edge, where 
+% the coordinates of a reference terminal (|\fuseAx| and |\fuseAy|) 
+% and of the other terminal of the edge (|\fuseBx| and |\fuseBy|) 
+% are given for the successive process of adjustment. 
+%
+% \begin{macro}{\threefuseposv}
+%    \begin{macrocode}
+\def\threefuseposv#1{%
+\global\@sixfuseposvfalse
+{\resetbdsw%
+\@tfor\memBer:=#1\do{%
+\if\memBer a\relax
+ \if@sixfuseposv
+  \XyMTeXWarning{Double fused bond at bond `a'}%
+ \else
+  \gdef\fuseAx{-68}\gdef\fuseAy{0}%
+%  \gdef\fuseBx{29}\gdef\fuseBy{171}%
+  \gdef\fuseBx{35}\gdef\fuseBy{171}%corrected
+  \global\@sixfuseposvtrue
+ \fi
+\fi%
+\if\memBer A\relax
+ \if@sixfuseposv
+  \XyMTeXWarning{Double fused bond at bond `A'}%
+ \else
+%  \gdef\fuseBx{-68}\gdef\fuseBy{0}%
+  \gdef\fuseBx{-74}\gdef\fuseBy{0}%corrected
+  \gdef\fuseAx{29}\gdef\fuseAy{171}%
+  \global\@sixfuseposvtrue
+ \fi
+\fi%
+\if\memBer b\relax
+ \if@sixfuseposv
+  \XyMTeXWarning{Double fused bond at bond `b'}%
+ \else
+  \gdef\fuseAx{29}\gdef\fuseAy{171}%
+  \gdef\fuseBx{-171}\gdef\fuseBy{171}%
+  \global\@sixfuseposvtrue
+ \fi
+\fi%
+\if\memBer B\relax
+ \if@sixfuseposv
+  \XyMTeXWarning{Double fused bonds at bond `B'}%
+ \else
+  \gdef\fuseBx{29}\gdef\fuseBy{171}%
+  \gdef\fuseAx{-171}\gdef\fuseAy{171}%
+  \global\@sixfuseposvtrue
+ \fi
+\fi%
+\if\memBer c\relax
+ \if@sixfuseposv
+  \XyMTeXWarning{Double fused bonds at bond `c'}%
+ \else
+  \gdef\fuseAx{-171}\gdef\fuseAy{171}%
+  \gdef\fuseBx{-68}\gdef\fuseBy{0}%
+  \global\@sixfuseposvtrue
+ \fi
+\fi%
+\if\memBer C\relax
+ \if@sixfuseposv
+  \XyMTeXWarning{Double fused bonds at bond `C'}%
+ \else
+  \gdef\fuseBx{-171}\gdef\fuseBy{171}%
+  \gdef\fuseAx{-68}\gdef\fuseAy{0}%
+  \global\@sixfuseposvtrue
+ \fi
+\fi%
+}}}% end of the macro \threefuseposv
+%    \end{macrocode}
+% \end{macro}
+%
+% \subsection{Inverse vertical type}
+%
+% The macro |\threefusevi| typesets a three-membered ring of 
+% inverse vertical type.  The following numbering is adopted 
+% in this macro. 
+% \changes{v1.02}{1998/10/20}{Newly added commands: 
+% \cs{threefusevi}}
+%
+% \begin{verbatim}
+% ****************************
+% * thereehetero derivatives *
+% *  (inverse vertical type) *
+% ****************************
+%
+%        /1` <===== the original point
+%    c /     ` a
+%     3--------2
+%         b
+% \end{verbatim}
+%
+% The macro |\threefusevi| has two arguments |ATOMLIST|, |SUBSLIST| and |FUSE|
+% as well as an optional argument |BONDLIST|.  
+% Two optional arguments |SKBONDLIST| and |OMIT| are added to 
+% treat stereochemical information or other bond situations. 
+%
+% \begin{verbatim}
+%   \threefusevi(SKBONDLIST)[BONDLIST]{ATOMLIST}{SUBSLIST}{FUSE}[OMIT]
+% \end{verbatim}
+%
+% The |SKBONDLIST| argument contains pairs of two alphabets in 
+% parentheses, e.g. (\{bA\}\{fB\}).  Each pair contains a lowercase 
+% character selected from bond specifiers `a' to `f' and a uppercase
+% character `A' or `B'. 
+%
+% The |BONDLIST| argument contains one 
+% character selected from a to c, each of which indicates the presence of 
+% an inner (endcyclic) double bond on the corresponding position. 
+% The option `$n+$' ($n=1$ to $3$) represents a plus charge on a hetero atom 
+% at the $n$-position. 
+% The option `$n+$' ($n=4$ to $6$) represents a plus charge outside the ring. 
+% The option `$0+$' typesets a plus charge at the center of the ring. 
+%
+% \begin{verbatim}
+%     BONDLIST = 
+%
+%           none       :  saturated 
+%           a          :  1,2-double bond
+%           b          :  2,3-double bond
+%           c          :  3,1-double bond
+%           A          :  aromatic circle 
+%           {n+}       :  plus at the n-hetero atom (n = 1 to 3)
+%                      :  n=4 -- outer plus at 1 position
+%                      :  n=5 -- outer plus at 2 position
+%                      :  n=6 -- outer plus at 3 position
+%           {0+}       :  plus at the center of a cyclopropane ring
+% \end{verbatim}
+%
+% The |ATOMLIST| argument contains one or more heteroatom descriptors 
+% which are separated from each other by a semicolon.  Each heteroatom 
+% descriptor consists of a locant number and a heteroatom, 
+% where these are separated with a double equality symbol. 
+%
+% \begin{verbatim}
+%     ATOMLIST: list of heteroatoms (max 3 atoms)
+%
+%       for n = 1 to 3
+%
+%           n          : Hetero atom, e.g. N, O, etc. at n-position, 
+%                        e.g. 1==N for N at 1-position
+% \end{verbatim}
+%
+% The |SUBSLIST| argument contains one or more substitution descriptors 
+% which are separated from each other by a semicolon.  Each substitution 
+% descriptor has a locant number with a bond modifier and a substituent, 
+% where these are separated with a double equality symbol. 
+%
+% \begin{verbatim}
+%     SUBSLIST: list of substituents
+%
+%       for n = 1 to 3 
+%
+%           nD         :  exocyclic double bond at n-atom
+%           n or nS    :  exocyclic single bond at n-atom
+%           nA         :  alpha single bond at n-atom
+%           nB         :  beta single bond at n-atom
+%           nSA        :  alpha single bond at n-atom (boldface)
+%           nSB        :  beta single bond at n-atom (dotted line)
+%           nSa        :  alpha (not specified) single bond at n-atom
+%           nSb        :  beta (not specified) single bond at n-atom
+%
+%           nSd        :  alpha single bond at n-atom (dotted line) 
+%                           with an alternative direction to nSA 
+%           nSu        :  beta single bond at n-atom (boldface) 
+%                           with an alternative direction to nSB 
+%           nFA        :  alpha single bond at n-atom (dotted line) 
+%                           for ring fusion 
+%           nFB        :  beta single bond at n-atom (boldface) 
+%                           for ring fusion 
+%           nGA        :  alpha single bond at n-atom (dotted line) 
+%                           for the other ring fusion 
+%           nGB        :  beta single bond at n-atom (boldface) 
+%                           for the other ring fusion 
+% \end{verbatim}
+%
+% The argument |FUSE| represents one bond to be omitted. 
+% The omitted edge is regarded as a fused position. 
+%
+% \begin{verbatim}
+%     FUSE:  one bond omitted (a, b, or c)
+% \end{verbatim}
+%
+% The argument |OMIT| represents one or more bonds to be omitted. 
+% The omitted edges are regarded as non-fused positions. 
+%
+% \begin{verbatim}
+%     OMIT:  one or more bonds omitted (a, b, or c)
+% \end{verbatim}
+%
+% Several examples are shown as follows.
+% \begin{verbatim}
+%       e.g. 
+%        
+%        \threefusevi{1==N}{1==Cl;2==F}{c}
+%        \threefusevi[c]{1==N}{1==Cl;3==F;2==CH$_{3}$}{a}
+%        \threefusevi{1==N}{1D==O}{b}
+% \end{verbatim}
+%
+% \changes{v1.02}{1998/10/31}{Adding \cs{ylposition}, \cs{if@ylsw},
+% \cs{yl@shifti}, \cs{@ylii}, \cs{yl@shiftii}, \cs{@ylii}, 
+% \cs{yl@xdiff} and \cs{yl@ydiff}}
+% \changes{v2.00}{1998/12/5}{Add: spiro and fused rings}
+%
+% \begin{macro}{\threefusevi}
+% \begin{macro}{\@three@fusevi}
+% \begin{macro}{\@three@@fusevi}
+% \begin{macro}{\@threefusevi}
+%    \begin{macrocode}
+\def\threefusevi{\@ifnextchar({\@three@fusevi(@}{\@three@fusevi(@)}}
+\def\@three@fusevi(#1){\@ifnextchar[{\@three@@fusevi(#1)[@}%
+{\@three@@fusevi(#1)[@]}}
+\def\@three@@fusevi(#1)[#2]#3#4#5{\@ifnextchar[%
+{\@threefusevi(#1)[#2]{#3}{#4}{#5}[@}%
+{\@threefusevi(#1)[#2]{#3}{#4}{#5}[@]}}
+\def\@threefusevi(#1)[#2]#3#4#5[#6]{%
+%    \end{macrocode}
+%
+%    \begin{macrocode}
+% %%%%%%%%%%%%%%%%%%%%%%%%%%
+% % treatment of atom list %
+% %%%%%%%%%%%%%%%%%%%%%%%%%%
+\iniatom\iniflag%initialize
+\test@vertix@sixv{#3}{a}{c}{e}{@}{@}{@}%
+% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
+% % adustment of subs positions %
+% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
+\threefuseposvi{#5}%
+\if@sixfuseposv
+ \yl@shiftii=-\fuseAx
+ \yl@shifti=-\fuseAy
+ \advance\yl@shiftii\yl@xdiff
+ \advance\yl@shifti\yl@ydiff
+ \begin{picture}(0,0)(-\yl@shiftii,-\yl@shifti)
+ \reset@yl@xydiff%1999/1/6 by S. Fujita
+\else
+\begin{picture}(800,580)(-468,-340)%
+  \iforigpt \put(-468,-340){\circle*{50}}%
+           \put(-68,0){\circle{50}}% 
+   \typeout{command `threefusevi' origin: %
+    (0,0) ---> (-468,-340)}\fi%
+\fi
+%    \end{macrocode}
+%
+%    \begin{macrocode}
+% %%%%%%%%%%%%%%%%%%
+% % outer skeleton %
+% %%%%%%%%%%%%%%%%%%
+{\resetbdsw%
+\@bond@fuse@omit{#5}{#6}%
+\put(-68,0){\set@skel@longbond{#1}{a}{skBondtria}}%
+       % bond between 1 and 2 \@aaa -> \skBondtria etc
+\put(0,-275){\set@skel@longbond{#1}{b}{skbondshorizi}}%
+       % bond between 2 and 3 \@bbb -> \skbondb etc
+\put(-68,0){\set@skel@longbond{#1}{c}{skBondtrib}}%
+       % bond between 3 and 1 \@ccc -> \skBondtrib etc
+}%
+%    \end{macrocode}
+%
+%    \begin{macrocode}
+% %%%%%%%%%%%%%%%%%%%%%
+% % inner double bond %
+% %%%%%%%%%%%%%%%%%%%%%
+\@tfor\member:=#2\do{%
+\if\member r\relax%
+\else\if\member a\relax\put(-68,0){\Bondtria}%
+\else\if\member b\relax\put(0,-274){\bondshorizi}%
+\else\if\member c\relax\put(-68,0){\Bondtrib}%
+\else\if\member A\relax% aromatic circle 
+  \put(-70,-108){\circle{100}}%               %circle
+\else
+% %%%%%%%%%%%%%%%%%%%%%%%%%
+% % inner bond attachment %
+% %%%%%%%%%%%%%%%%%%%%%%%%%
+   \expandafter\twoCH@@R\member//%
+    \set@fusionadd@threevi
+\fi\fi\fi\fi\fi%
+}%
+%    \end{macrocode}
+%
+%    \begin{macrocode}
+% %%%%%%%%%%%%%%%%%%%%%%%%
+% % setting hetero atoms %
+% %%%%%%%%%%%%%%%%%%%%%%%%
+\put(-68,-406){\set@hetatom@sixv{#3}{0}{0}{2}{0}%
+\if@aclip\global\@acliptrue\fi
+}%subst 1
+\put(0,-275){\set@hetatom@sixv{#3}{2}{4}{6}{0}%
+\if@cclip\global\@ccliptrue\fi
+}%subst 3
+\put(-142,-275){\set@hetatom@sixv{#3}{1}{2}{4}{0}%
+\if@eclip\global\@ecliptrue\fi
+}%subst 2
+%    \end{macrocode}
+%
+%    \begin{macrocode}
+% %%%%%%%%%%%%%%%%%%%%%%%%
+% % setting substituents %
+% %%%%%%%%%%%%%%%%%%%%%%%%
+\put(-68,-406){\setsixringv{#4}{0}{0}{2}{0}}%subst 1
+\put(0,-275){\setsixringv{#4}{2}{4}{6}{0}}%subst 3
+\put(-142,-275){\setsixringv{#4}{1}{2}{4}{0}}%subst 2
+\end{picture}%
+\threefuseposvi{#5}%%for FuseWaring when nested
+\iniatom\iniflag
+\global\@smallringswtrue%for permition at a center bond
+}%     %end of \threefusevi macro
+%    \end{macrocode}
+% \end{macro}
+% \end{macro}
+% \end{macro}
+% \end{macro}
+%
+% The macro |\threefuseposvi| is used in the definition of 
+% the |\threefusev| macro to detect a fused edge, where 
+% the coordinates of a reference terminal (|\fuseAx| and |\fuseAy|) 
+% and of the other terminal of the edge (|\fuseBx| and |\fuseBy|) 
+% are given for the successive process of adjustment. 
+%
+% \begin{macro}{\threefuseposvi}
+%    \begin{macrocode}
+\def\threefuseposvi#1{%
+\global\@sixfuseposvfalse
+{\resetbdsw%
+\@tfor\memBer:=#1\do{%
+\if\memBer a\relax
+ \if@sixfuseposv
+  \XyMTeXWarning{Double fused bond at bond `a'}%
+ \else
+  \gdef\fuseAx{-68}\gdef\fuseAy{0}%
+%  \gdef\fuseBx{29}\gdef\fuseBy{-171}%
+  \gdef\fuseBx{35}\gdef\fuseBy{-171}%corrected
+  \global\@sixfuseposvtrue
+ \fi
+\fi%
+\if\memBer A\relax
+ \if@sixfuseposv
+  \XyMTeXWarning{Double fused bond at bond `A'}%
+ \else
+%  \gdef\fuseBx{-68}\gdef\fuseBy{0}%
+  \gdef\fuseBx{-74}\gdef\fuseBy{0}%corrected
+  \gdef\fuseAx{29}\gdef\fuseAy{-171}%
+  \global\@sixfuseposvtrue
+ \fi
+\fi%
+\if\memBer b\relax
+ \if@sixfuseposv
+  \XyMTeXWarning{Double fused bond at bond `b'}%
+ \else
+  \gdef\fuseAx{29}\gdef\fuseAy{-171}%
+  \gdef\fuseBx{-171}\gdef\fuseBy{-171}%
+  \global\@sixfuseposvtrue
+ \fi
+\fi%
+\if\memBer B\relax
+ \if@sixfuseposv
+  \XyMTeXWarning{Double fused bonds at bond `B'}%
+ \else
+  \gdef\fuseBx{29}\gdef\fuseBy{-171}%
+  \gdef\fuseAx{-171}\gdef\fuseAy{-171}%
+  \global\@sixfuseposvtrue
+ \fi
+\fi%
+\if\memBer c\relax
+ \if@sixfuseposv
+  \XyMTeXWarning{Double fused bonds at bond `c'}%
+ \else
+  \gdef\fuseAx{-171}\gdef\fuseAy{-171}%
+  \gdef\fuseBx{-68}\gdef\fuseBy{0}%
+  \global\@sixfuseposvtrue
+ \fi
+\fi%
+\if\memBer C\relax
+ \if@sixfuseposv
+  \XyMTeXWarning{Double fused bonds at bond `C'}%
+ \else
+  \gdef\fuseBx{-171}\gdef\fuseBy{-171}%
+  \gdef\fuseAx{-68}\gdef\fuseAy{0}%
+  \global\@sixfuseposvtrue
+ \fi
+\fi%
+}}}% end of the macro \threefuseposvi
+%    \end{macrocode}
+% \end{macro}
+%
+% \subsection{Horizontal type}
+%
+% The macro |\threefuseh| typesets a three-membered ring to be fused.  
+% The following numbering is adopted in this macro. 
+%
+% \begin{verbatim}
+% ****************************
+% * thereehetero fusing unit *
+% *  (horizontal type)       *
+% ****************************
+
+%   aaa fff
+%    3
+%    | ` c
+%  b |    1 bbb ccc
+%    |  / a
+%    2/
+%    ddd eee
+%
+% \end{verbatim}
+%
+% The macro |\threefuseh| has two arguments |ATOMLIST|, |SUBSLIST| and |FUSE| 
+% as well as an optional argument |BONDLIST|.  
+% Two optional arguments |SKBONDLIST| and |OMIT| are added to 
+% treat stereochemical information or other bond situations. 
+%
+% \begin{verbatim}
+%   \threefuseh(SKBONDLIST)[BONDLIST]{ATOMLIST}{SUBSLIST}{FUSE}[OMIT]
+% \end{verbatim}
+%
+% The |SKBONDLIST| argument contains pairs of two alphabets in 
+% parentheses, e.g. (\{bA\}\{fB\}).  Each pair contains a lowercase 
+% character selected from bond specifiers `a' to `f' and a uppercase
+% character `A' or `B'. 
+%
+% The |BONDLIST| argument contains one 
+% character selected from a to c, each of which indicates the presence of 
+% an inner (endcyclic) double bond on the corresponding position. 
+% The option `$n+$' ($n=1$ to $3$) represents a plus charge on a hetero atom 
+% at the $n$-position. 
+% The option `$n+$' ($n=4$ to $6$) represents a plus charge outside the ring. 
+% The option `$0+$' typesets a plus charge at the center of the ring. 
+%
+% \begin{verbatim}
+%     BONDLIST = 
+%
+%           none       :  saturated 
+%           a          :  1,2-double bond
+%           b          :  2,3-double bond
+%           c          :  3,1-double bond
+%           A          :  aromatic circle 
+%           {n+}       :  plus at the n-hetero atom (n = 1 to 3)
+%                      :  n=4 -- outer plus at 1 position
+%                      :  n=5 -- outer plus at 2 position
+%                      :  n=6 -- outer plus at 3 position
+%           {0+}       :  plus at the center of a cyclopropane ring
+% \end{verbatim}
+%
+% The |ATOMLIST| argument contains one or more heteroatom descriptors 
+% which are separated from each other by a semicolon.  Each heteroatom 
+% descriptor consists of a locant number and a heteroatom, 
+% where these are separated with a double equality symbol. 
+%
+% \begin{verbatim}
+%     ATOMLIST: list of heteroatoms (max 3 atoms)
+%
+%       for n = 1 to 3
+%
+%           n          : Hetero atom, e.g. N, O, etc. at n-position, 
+%                        e.g. 1==N for N at 1-position
+% \end{verbatim}
+%
+% The |SUBSLIST| argument contains one or more substitution descriptors 
+% which are separated from each other by a semicolon.  Each substitution 
+% descriptor has a locant number with a bond modifier and a substituent, 
+% where these are separated with a double equality symbol. 
+%
+% \begin{verbatim}
+%     SUBSLIST: list of substituents
+%
+%       for n = 1 to 3 
+%
+%           nD         :  exocyclic double bond at n-atom
+%           n or nS    :  exocyclic single bond at n-atom
+%           nA         :  alpha single bond at n-atom
+%           nB         :  beta single bond at n-atom
+%           nSA        :  alpha single bond at n-atom (boldface)
+%           nSB        :  beta single bond at n-atom (dotted line)
+%           nSa        :  alpha (not specified) single bond at n-atom
+%           nSb        :  beta (not specified) single bond at n-atom
+%
+%           nSd        :  alpha single bond at n-atom (dotted line) 
+%                           with an alternative direction to nSA 
+%           nSu        :  beta single bond at n-atom (boldface) 
+%                           with an alternative direction to nSB 
+%           nFA        :  alpha single bond at n-atom (dotted line) 
+%                           for ring fusion 
+%           nFB        :  beta single bond at n-atom (boldface) 
+%                           for ring fusion 
+%           nGA        :  alpha single bond at n-atom (dotted line) 
+%                           for the other ring fusion 
+%           nGB        :  beta single bond at n-atom (boldface) 
+%                           for the other ring fusion 
+% \end{verbatim}
+%
+% The argument |FUSE| represents one bond to be omitted. 
+% The omitted edge is regarded as a fused position. 
+%
+% \begin{verbatim}
+%     FUSE:  one bond omitted (a, b, or c)
+% \end{verbatim}
+%
+% The argument |OMIT| represents one or more bonds to be omitted. 
+% The omitted edges are regarded as non-fused positions. 
+%
+% \begin{verbatim}
+%     OMIT:  one or more bonds omitted (a, b, or c)
+% \end{verbatim}
+%
+% Several examples are shown as follows.
+% \begin{verbatim}
+%       e.g. 
+%        
+%        \threefuseh{1==N}{1==Cl;2==F}{c}
+% \end{verbatim}
+%
+% \changes{v1.02}{1998/10/31}{Adding \cs{ylposition}, \cs{if@ylsw},
+% \cs{yl@shifti}, \cs{@ylii}, \cs{yl@shiftii}, \cs{@ylii}, 
+% \cs{yl@xdiff} and \cs{yl@ydiff}}
+% \changes{v2.00}{1998/12/5}{Add: spiro and fused rings}
+%
+% \begin{macro}{\threefuseh}
+% \begin{macro}{\@three@fuseh}
+% \begin{macro}{\@three@@fuseh}
+% \begin{macro}{\@threefuseh}
+%    \begin{macrocode}
+\def\threefuseh{\@ifnextchar({\@three@fuseh(@}{\@three@fuseh(@)}}
+\def\@three@fuseh(#1){\@ifnextchar[{\@three@@fuseh(#1)[@}%
+{\@three@@fuseh(#1)[@]}}
+\def\@three@@fuseh(#1)[#2]#3#4#5{\@ifnextchar[%
+{\@threefuseh(#1)[#2]{#3}{#4}{#5}[@}%
+{\@threefuseh(#1)[#2]{#3}{#4}{#5}[@]}}
+\def\@threefuseh(#1)[#2]#3#4#5[#6]{%
+%    \end{macrocode}
+%
+%    \begin{macrocode}
+% %%%%%%%%%%%%%%%%%%%%%%%%%%
+% % treatment of atom list %
+% %%%%%%%%%%%%%%%%%%%%%%%%%%
+\iniatom\iniflag%initialize
+\test@vertix@sixv{#3}{d}{f}{b}{@}{@}{@}%tentative use for six-h
+% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
+% % adustment of subs positions %
+% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
+\threefuseposh{#5}%
+\if@sixfuseposv
+ \yl@shiftii=-\fuseAx
+ \yl@shifti=-\fuseAy
+ \advance\yl@shiftii\yl@xdiff
+ \advance\yl@shifti\yl@ydiff
+ \begin{picture}(0,0)(-\yl@shiftii,-\yl@shifti)
+ \reset@yl@xydiff%1999/1/6 by S. Fujita
+\else
+\begin{picture}(580,700)(-200,-240)%
+  \iforigpt \put(-200,-200){\circle*{50}}%
+           \put(0,0){\circle{50}}% 
+   \typeout{command `threefuseh' origin: %
+    (0,0) ---> (200,200)}\fi%
+\fi
+%    \end{macrocode}
+%
+%    \begin{macrocode}
+% %%%%%%%%%%%%%%%%%%%%%%%%%%%%
+% % retreatment of atom list %
+% %%%%%%%%%%%%%%%%%%%%%%%%%%%%
+\iniatom\iniflag%initialize
+\test@vertix@sixv{#3}{c}{e}{a}{@}{@}{@}%
+\test@vertix@sixv{#3}{b}{d}{f}{@}{@}{@}%
+% %%%%%%%%%%%%%%%%%%
+% % outer skeleton %
+% %%%%%%%%%%%%%%%%%%
+{\resetbdsw%
+\@bond@fuse@omit{#5}{#6}%
+\put(0,0){\set@skel@bond{#1}{a}{c}}%
+       % bond between 1 and 2 \@aaa -> \skbondc etc
+\put(171,-103){\set@skel@bond{#1}{b}{e}}%
+       % bond between 2 and 3 \@bbb -> \skbonde etc
+\put(0,-200){\set@skel@bond{#1}{c}{a}}%
+       % bond between 3 and 1 \@ccc -> \skbonda etc
+}%
+%    \end{macrocode}
+%
+%    \begin{macrocode}
+% %%%%%%%%%%%%%%%%%%%%%
+% % inner double bond %
+% %%%%%%%%%%%%%%%%%%%%%
+\@tfor\member:=#2\do{%
+\if\member r\relax%
+\else\if\member a\relax\put(0,0){\bondc}%
+\else\if\member b\relax\put(171,-103){\bonde}%
+\else\if\member c\relax\put(0,-200){\bonda}%
+\else\if\member A\relax% aromatic circle 
+  \put(70,103){\circle{100}}%               %circle
+\else
+% %%%%%%%%%%%%%%%%%%%%%%%%%
+% % inner bond attachment %
+% %%%%%%%%%%%%%%%%%%%%%%%%%
+   \expandafter\twoCH@@R\member//%
+    \set@fusionadd@threeh
+\fi\fi\fi\fi\fi%
+}%
+%    \end{macrocode}
+%
+%    \begin{macrocode}
+% %%%%%%%%%%%%%%%%%%%%%%%%
+% % setting hetero atoms %
+% %%%%%%%%%%%%%%%%%%%%%%%%
+\iniflag
+%\put(-235,103){\set@hetatom@sixh{#3}{3}{3}{5}{0}%
+\put(-215,103){\set@hetatom@sixh{#3}{3}{3}{5}{0}%
+\if@clip \global\@cliptrue\fi}%subst 1 <--six h 4
+\put(-103,29){\set@hetatom@sixh{#3}{-1}{1}{3}{0}%
+\if@bclip \global\@bcliptrue\fi}%subst 3 <--six h 2
+\put(-103,171){\set@hetatom@sixh{#3}{4}{5}{7}{0}%
+\if@fclip \global\@fcliptrue\fi}%subst 2 <--six h 6
+%    \end{macrocode}
+%
+%    \begin{macrocode}
+% %%%%%%%%%%%%%%%%%%%%%%%%
+% % setting substituents %
+% %%%%%%%%%%%%%%%%%%%%%%%%
+\put(-235,103){\setsixringh{#4}{3}{3}{5}{0}}%subst 1
+\put(-103,29){\setsixringh{#4}{-1}{1}{3}{0}}%subst 3
+\put(-103,171){\setsixringh{#4}{4}{5}{7}{0}}%subst 2
+\end{picture}%
+\threefuseposh{#5}%%for FuseWaring when nested
+\iniatom\iniflag
+\global\@smallringswtrue%for permition at a center bond
+}%     %end of \threefuseh macro
+%    \end{macrocode}
+% \end{macro}
+% \end{macro}
+% \end{macro}
+% \end{macro}
+%
+% The macro |\threefuseposh| is used in the definition of 
+% the |\threefusev| macro to detect a fused edge, where 
+% the coordinates of a reference terminal (|\fuseAx| and |\fuseAy|) 
+% and of the other terminal of the edge (|\fuseBx| and |\fuseBy|) 
+% are given for the successive process of adjustment. 
+%
+% \begin{macro}{\threefuseposh}
+%    \begin{macrocode}
+\def\threefuseposh#1{%
+\global\@sixfuseposvfalse
+{\resetbdsw%
+\@tfor\memBer:=#1\do{%
+\if\memBer a\relax
+ \if@sixfuseposv
+  \XyMTeXWarning{Double fused bond at bond `a'}%
+ \else
+  \gdef\fuseAx{171}\gdef\fuseAy{103}%corrected
+  \gdef\fuseBx{0}\gdef\fuseBy{0}%
+  \global\@sixfuseposvtrue
+ \fi
+\fi%
+\if\memBer A\relax
+ \if@sixfuseposv
+  \XyMTeXWarning{Double fused bond at bond `A'}%
+ \else
+  \gdef\fuseBx{171}\gdef\fuseBy{103}%
+  \gdef\fuseAx{0}\gdef\fuseAy{0}%
+  \global\@sixfuseposvtrue
+ \fi
+\fi%
+\if\memBer b\relax
+ \if@sixfuseposv
+  \XyMTeXWarning{Double fused bond at bond `b'}%
+ \else
+  \gdef\fuseAx{0}\gdef\fuseAy{0}%
+  \gdef\fuseBx{0}\gdef\fuseBy{200}%
+  \global\@sixfuseposvtrue
+ \fi
+\fi%
+\if\memBer B\relax
+ \if@sixfuseposv
+  \XyMTeXWarning{Double fused bonds at bond `B'}%
+ \else
+  \gdef\fuseBx{0}\gdef\fuseBy{0}%
+  \gdef\fuseAx{0}\gdef\fuseAy{200}%
+  \global\@sixfuseposvtrue
+ \fi
+\fi%
+\if\memBer c\relax
+ \if@sixfuseposv
+  \XyMTeXWarning{Double fused bonds at bond `c'}%
+ \else
+  \gdef\fuseAx{0}\gdef\fuseAy{200}%
+%  \gdef\fuseBx{171}\gdef\fuseBy{103}%
+  \gdef\fuseBx{171}\gdef\fuseBy{97}%corrected
+  \global\@sixfuseposvtrue
+ \fi
+\fi%
+\if\memBer C\relax
+ \if@sixfuseposv
+  \XyMTeXWarning{Double fused bonds at bond `C'}%
+ \else
+%  \gdef\fuseBx{0}\gdef\fuseBy{200}%
+  \gdef\fuseBx{0}\gdef\fuseBy{206}%corrected
+  \gdef\fuseAx{171}\gdef\fuseAy{103}%
+  \global\@sixfuseposvtrue
+ \fi
+\fi%
+}}}% end of the macro \threefuseposh
+%    \end{macrocode}
+% \end{macro}
+%
+% \subsection{Inverse horizontal type}
+%
+% The macro |\threefusehi| typesets a three-membered ring to be fused.  
+% The following numbering is adopted in this macro. 
+%
+% \begin{verbatim}
+% *******************************
+% * thereehetero fusing unit    *
+% *  (vertical horizontal type) *
+% *******************************
+%
+%          aaa bbb
+%     c    3
+%       /  |
+% eee  1   | b
+% fff   a` |
+%          2 <---original point
+%          ccc ddd
+% \end{verbatim}
+%
+% The macro |\threefusehi| has two arguments |ATOMLIST|, |SUBSLIST| and |FUSE|
+% as well as an optional argument |BONDLIST|.  
+% Two optional arguments |SKBONDLIST| and |OMIT| are added to 
+% treat stereochemical information or other bond situations. 
+%
+% \begin{verbatim}
+%   \threefusehi(SKBONDLIST)[BONDLIST]{ATOMLIST}{SUBSLIST}{FUSE}[OMIT]
+% \end{verbatim}
+%
+% The |SKBONDLIST| argument contains pairs of two alphabets in 
+% parentheses, e.g. (\{bA\}\{fB\}).  Each pair contains a lowercase 
+% character selected from bond specifiers `a' to `f' and a uppercase
+% character `A' or `B'. 
+%
+% The |BONDLIST| argument contains one 
+% character selected from a to c, each of which indicates the presence of 
+% an inner (endcyclic) double bond on the corresponding position. 
+% The option `$n+$' ($n=1$ to $3$) represents a plus charge on a hetero atom 
+% at the $n$-position. 
+% The option `$n+$' ($n=4$ to $6$) represents a plus charge outside the ring. 
+% The option `$0+$' typesets a plus charge at the center of the ring. 
+%
+% \begin{verbatim}
+%     BONDLIST = 
+%
+%           none       :  saturated 
+%           a          :  1,2-double bond
+%           b          :  2,3-double bond
+%           c          :  3,1-double bond
+%           A          :  aromatic circle 
+%           {n+}       :  plus at the n-hetero atom (n = 1 to 3)
+%                      :  n=4 -- outer plus at 1 position
+%                      :  n=5 -- outer plus at 2 position
+%                      :  n=6 -- outer plus at 3 position
+%           {0+}       :  plus at the center of a cyclopropane ring
+% \end{verbatim}
+%
+% The |ATOMLIST| argument contains one or more heteroatom descriptors 
+% which are separated from each other by a semicolon.  Each heteroatom 
+% descriptor consists of a locant number and a heteroatom, 
+% where these are separated with a double equality symbol. 
+%
+% \begin{verbatim}
+%     ATOMLIST: list of heteroatoms (max 3 atoms)
+%
+%       for n = 1 to 3
+%
+%           n          : Hetero atom, e.g. N, O, etc. at n-position, 
+%                        e.g. 1==N for N at 1-position
+% \end{verbatim}
+%
+% The |SUBSLIST| argument contains one or more substitution descriptors 
+% which are separated from each other by a semicolon.  Each substitution 
+% descriptor has a locant number with a bond modifier and a substituent, 
+% where these are separated with a double equality symbol. 
+%
+% \begin{verbatim}
+%     SUBSLIST: list of substituents
+%
+%       for n = 1 to 3 
+%
+%           nD         :  exocyclic double bond at n-atom
+%           n or nS    :  exocyclic single bond at n-atom
+%           nA         :  alpha single bond at n-atom
+%           nB         :  beta single bond at n-atom
+%           nSA        :  alpha single bond at n-atom (boldface)
+%           nSB        :  beta single bond at n-atom (dotted line)
+%           nSa        :  alpha (not specified) single bond at n-atom
+%           nSb        :  beta (not specified) single bond at n-atom
+%
+%           nSd        :  alpha single bond at n-atom (dotted line) 
+%                           with an alternative direction to nSA 
+%           nSu        :  beta single bond at n-atom (boldface) 
+%                           with an alternative direction to nSB 
+%           nFA        :  alpha single bond at n-atom (dotted line) 
+%                           for ring fusion 
+%           nFB        :  beta single bond at n-atom (boldface) 
+%                           for ring fusion 
+%           nGA        :  alpha single bond at n-atom (dotted line) 
+%                           for the other ring fusion 
+%           nGB        :  beta single bond at n-atom (boldface) 
+%                           for the other ring fusion 
+% \end{verbatim}
+%
+% The argument |FUSE| represents one bond to be omitted. 
+% The omitted edge is regarded as a fused position. 
+%
+% \begin{verbatim}
+%     FUSE:  one bond omitted (a, b, or c)
+% \end{verbatim}
+%
+% The argument |OMIT| represents one or more bonds to be omitted. 
+% The omitted edges are regarded as non-fused positions. 
+%
+% \begin{verbatim}
+%     OMIT:  one or more bonds omitted (a, b, or c)
+% \end{verbatim}
+%
+% Several examples are shown as follows.
+% \begin{verbatim}
+%       e.g. 
+%        
+%        \threefusehi{1==N}{1==Cl;2==F}{c}
+%        \threefusehi[c]{1==N}{1==Cl;3==F;2==CH$_{3}$}{a}
+% \end{verbatim}
+%
+% \changes{v1.02}{1998/10/31}{Adding \cs{ylposition}, \cs{if@ylsw},
+% \cs{yl@shifti}, \cs{@ylii}, \cs{yl@shiftii}, \cs{@ylii}, 
+% \cs{yl@xdiff} and \cs{yl@ydiff}}
+% \changes{v2.00}{1998/12/5}{Add: spiro and fused rings}
+%
+% \begin{macro}{\threefusehi}
+% \begin{macro}{\@three@fusehi}
+% \begin{macro}{\@three@@fusehi}
+% \begin{macro}{\@threefusehi}
+%    \begin{macrocode}
+\def\threefusehi{\@ifnextchar({\@three@fusehi(@}{\@three@fusehi(@)}}
+\def\@three@fusehi(#1){\@ifnextchar[{\@three@@fusehi(#1)[@}%
+{\@three@@fusehi(#1)[@]}}
+\def\@three@@fusehi(#1)[#2]#3#4#5{\@ifnextchar[%
+{\@threefusehi(#1)[#2]{#3}{#4}{#5}[@}%
+{\@threefusehi(#1)[#2]{#3}{#4}{#5}[@]}}
+\def\@threefusehi(#1)[#2]#3#4#5[#6]{%
+%    \end{macrocode}
+%
+%    \begin{macrocode}
+% %%%%%%%%%%%%%%%%%%%%%%%%%%
+% % treatment of atom list %
+% %%%%%%%%%%%%%%%%%%%%%%%%%%
+\iniatom\iniflag%initialize
+\test@vertix@sixv{#3}{a}{e}{c}{@}{@}{@}%tentative use for six-h
+% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
+% % adustment of subs positions %
+% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
+\threefuseposhi{#5}%
+\if@sixfuseposv
+ \yl@shiftii=-\fuseAx
+ \yl@shifti=-\fuseAy
+ \advance\yl@shiftii\yl@xdiff
+ \advance\yl@shifti\yl@ydiff
+ \begin{picture}(0,0)(-\yl@shiftii,-\yl@shifti)
+ \reset@yl@xydiff%1999/1/6 by S. Fujita
+\else
+\begin{picture}(580,700)(-400,-240)%
+  \iforigpt \put(-400,-200){\circle*{50}}%
+           \put(0,0){\circle{50}}% 
+   \typeout{command `threefusehi' origin: %
+    (0,0) ---> (400,200)}\fi%
+\fi
+%    \end{macrocode}
+%
+%    \begin{macrocode}
+% %%%%%%%%%%%%%%%%%%%%%%%%%%%%
+% % retreatment of atom list %
+% %%%%%%%%%%%%%%%%%%%%%%%%%%%%
+\iniatom\iniflag%initialize
+\test@vertix@sixv{#3}{e}{c}{a}{@}{@}{@}%
+\test@vertix@sixv{#3}{f}{d}{b}{@}{@}{@}%
+% %%%%%%%%%%%%%%%%%%
+% % outer skeleton %
+% %%%%%%%%%%%%%%%%%%
+{\resetbdsw%
+\@bond@fuse@omit{#5}{#6}%
+\put(0,0){\set@skel@bond{#1}{a}{d}}%
+       % bond between 1 and 2 \@aaa -> \skbondd etc
+\put(-171,-103){\set@skel@bond{#1}{b}{b}}%
+       % bond between 2 and 3 \@bbb -> \skbondb etc
+\put(0,-200){\set@skel@bond{#1}{c}{f}}%
+       % bond between 3 and 1 \@ccc -> \skbondf etc
+}%
+%    \end{macrocode}
+%
+%    \begin{macrocode}
+% %%%%%%%%%%%%%%%%%%%%%
+% % inner double bond %
+% %%%%%%%%%%%%%%%%%%%%%
+\@tfor\member:=#2\do{%
+\if\member r\relax%
+\else\if\member a\relax\put(0,0){\bondd}%
+\else\if\member b\relax\put(-171,-103){\bondb}%
+\else\if\member c\relax\put(0,-200){\bondf}%
+\else\if\member A\relax% aromatic circle 
+  \put(70,103){\circle{100}}%               %circle
+\else
+% %%%%%%%%%%%%%%%%%%%%%%%%%
+% % inner bond attachment %
+% %%%%%%%%%%%%%%%%%%%%%%%%%
+   \expandafter\twoCH@@R\member//%
+    \set@fusionadd@threehi
+\fi\fi\fi\fi\fi%
+}%
+%    \end{macrocode}
+%
+%    \begin{macrocode}
+% %%%%%%%%%%%%%%%%%%%%%%%%
+% % setting hetero atoms %
+% %%%%%%%%%%%%%%%%%%%%%%%%
+\iniflag
+\put(-171,103){\set@hetatom@sixh{#3}{0}{0}{2}{0}%
+\if@aclip \global\@acliptrue\fi}%subst 1 <--six h 1
+\put(-303,29){\set@hetatom@sixh{#3}{0}{2}{4}{0}%
+\if@cclip \global\@ccliptrue\fi}%subst 3 <--six h 3
+\put(-303,171){\set@hetatom@sixh{#3}{3}{4}{6}{0}%
+\if@eclip \global\@ecliptrue\fi}%subst 2 <--six h 5
+%    \end{macrocode}
+%
+%    \begin{macrocode}
+% %%%%%%%%%%%%%%%%%%%%%%%%
+% % setting substituents %
+% %%%%%%%%%%%%%%%%%%%%%%%%
+\put(-171,103){\setsixringh{#4}{0}{0}{2}{0}}%subst 1
+\put(-303,29){\setsixringh{#4}{0}{2}{4}{0}}%subst 3
+\put(-303,171){\setsixringh{#4}{3}{4}{6}{0}}%subst 2
+\end{picture}%
+\threefuseposhi{#5}%%for FuseWaring when nested
+\iniatom\iniflag
+\global\@smallringswtrue%for permition at a center bond
+}%     %end of \threefusehi macro
+%    \end{macrocode}
+% \end{macro}
+% \end{macro}
+% \end{macro}
+% \end{macro}
+%
+% The macro |\threefuseposhi| is used in the definition of 
+% the |\threefusev| macro to detect a fused edge, where 
+% the coordinates of a reference terminal (|\fuseAx| and |\fuseAy|) 
+% and of the other terminal of the edge (|\fuseBx| and |\fuseBy|) 
+% are given for the successive process of adjustment. 
+%
+% \begin{macro}{\threefuseposhi}
+%    \begin{macrocode}
+\def\threefuseposhi#1{%
+\global\@sixfuseposvfalse
+{\resetbdsw%
+\@tfor\memBer:=#1\do{%
+\if\memBer a\relax
+ \if@sixfuseposv
+  \XyMTeXWarning{Double fused bond at bond `a'}%
+ \else
+  \gdef\fuseAx{-171}\gdef\fuseAy{103}%corrected
+  \gdef\fuseBx{0}\gdef\fuseBy{0}%
+  \global\@sixfuseposvtrue
+ \fi
+\fi%
+\if\memBer A\relax
+ \if@sixfuseposv
+  \XyMTeXWarning{Double fused bond at bond `A'}%
+ \else
+  \gdef\fuseBx{-171}\gdef\fuseBy{103}%
+  \gdef\fuseAx{0}\gdef\fuseAy{0}%
+  \global\@sixfuseposvtrue
+ \fi
+\fi%
+\if\memBer b\relax
+ \if@sixfuseposv
+  \XyMTeXWarning{Double fused bond at bond `b'}%
+ \else
+  \gdef\fuseAx{0}\gdef\fuseAy{0}%
+  \gdef\fuseBx{0}\gdef\fuseBy{200}%
+  \global\@sixfuseposvtrue
+ \fi
+\fi%
+\if\memBer B\relax
+ \if@sixfuseposv
+  \XyMTeXWarning{Double fused bonds at bond `B'}%
+ \else
+  \gdef\fuseBx{0}\gdef\fuseBy{0}%
+  \gdef\fuseAx{0}\gdef\fuseAy{200}%
+  \global\@sixfuseposvtrue
+ \fi
+\fi%
+\if\memBer c\relax
+ \if@sixfuseposv
+  \XyMTeXWarning{Double fused bonds at bond `c'}%
+ \else
+  \gdef\fuseAx{0}\gdef\fuseAy{200}%
+%  \gdef\fuseBx{-171}\gdef\fuseBy{103}%
+  \gdef\fuseBx{-171}\gdef\fuseBy{97}%corrected
+  \global\@sixfuseposvtrue
+ \fi
+\fi%
+\if\memBer C\relax
+ \if@sixfuseposv
+  \XyMTeXWarning{Double fused bonds at bond `C'}%
+ \else
+%  \gdef\fuseBx{0}\gdef\fuseBy{200}%
+  \gdef\fuseBx{0}\gdef\fuseBy{206}%corrected
+  \gdef\fuseAx{-171}\gdef\fuseAy{103}%
+  \global\@sixfuseposvtrue
+ \fi
+\fi%
+}}}% end of the macro \threefuseposhi
+%</fusering>
+%    \end{macrocode}
+% \end{macro}
+%
+% \Finale
+%
+\endinput
+
\ No newline at end of file
diff --git a/Master/texmf-dist/source/latex/xymtex/fusering.ins b/Master/texmf-dist/source/latex/xymtex/fusering.ins
new file mode 100644
index 00000000000..0c228764feb
--- /dev/null
+++ b/Master/texmf-dist/source/latex/xymtex/fusering.ins
@@ -0,0 +1,49 @@
+\def\batchfile{fusering.ins}

+\input docstrip.tex

+\preamble

+

+This is a generated file.

+

+Copyright 1998 by Shinsaku Fujita

+

+This file is part of the XyMTeX system.

+=======================================

+

+Version 1.02 Released on October 31, 1998 (private version)

+Version 2.00 Released on December 25, 1998 

+

+Copyright (C) 1998 by Shinsaku Fujita, all rights reserved.

+This style file is created for drawing chemical structural formulas 

+This style file is to be contained in the ``xymtex'' directory which 

+is an input directory for TeX. 

+

+Copying of this file is authorized only if either

+

+ (1) you make absolutely no changes to your copy, including name and 

+     directory name 

+ (2) if you do make changes, 

+     (a) you name it something other than the names included in the 

+         ``xymtex'' directory and 

+     (b) you acknowledge the original name. 

+ This restriction ensures that all standard styles are identical.

+

+=======================================

+

+This file contains several codes modified from latex.tex (LaTeX2.09) 

+and from latex.ltx (a LaTeX2e), the reused parts of which are subject to 

+Copyright 1994 the LaTeX3 project and the individual authors (For further 

+copyright information see the file legal.txt of the LaTeX2e standard 

+distribution, and any other copyright indicated in this file.)

+

+\endpreamble

+

+\keepsilent

+

+\generateFile{fusering.drv}{t}{%

+  \from{fusering.dtx}{driver}}

+

+\generateFile{fusering.sty}{t}{%

+  \from{fusering.dtx}{fusering}}

+

+\endinput

+
\ No newline at end of file
diff --git a/Master/texmf-dist/source/latex/xymtex/hcycle.drv b/Master/texmf-dist/source/latex/xymtex/hcycle.drv
new file mode 100644
index 00000000000..6fc2980ee14
--- /dev/null
+++ b/Master/texmf-dist/source/latex/xymtex/hcycle.drv
@@ -0,0 +1,81 @@
+%%
+%% This is file `hcycle.drv',
+%% generated with the docstrip utility.
+%%
+%% The original source files were:
+%%
+%% hcycle.dtx  (with options: `driver')
+%% 
+%% This is a generated file.
+%% 
+%% Copyright 1996,1998 by Shinsaku Fujita
+%% 
+%% This file is part of the XyMTeX system.
+%% =======================================
+%% 
+%% Version 1.01 Released on August 16, 1996
+%% Version 1.02 Released on October 31, 1996 (private version)
+%% Version 2.00 Released on December 25, 1998
+%% 
+%% Copyright (C) 1996,1998 by Shinsaku Fujita, all rights reserved.
+%% This style file is created for drawing chemical structural formulas
+%% This style file is to be contained in the ``xymtex'' directory which
+%% is an input directory for TeX.
+%% 
+%% Copying of this file is authorized only if either
+%% 
+%%  (1) you make absolutely no changes to your copy, including name and
+%%      directory name
+%%  (2) if you do make changes,
+%%      (a) you name it something other than the names included in the
+%%          ``xymtex'' directory and
+%%      (b) you acknowledge the original name.
+%%  This restriction ensures that all standard styles are identical.
+%% 
+%% =======================================
+%% 
+%% This file contains several codes modified from latex.tex (LaTeX2.09)
+%% and from latex.ltx (a LaTeX2e), the reused parts of which are subject to
+%% Copyright 1994 the LaTeX3 project and the individual authors (For further
+%% copyright information see the file legal.txt of the LaTeX2e standard
+%% distribution, and any other copyright indicated in this file.)
+%% 
+%% File: hcycle.dtx
+%% \CharacterTable
+%%  {Upper-case    \A\B\C\D\E\F\G\H\I\J\K\L\M\N\O\P\Q\R\S\T\U\V\W\X\Y\Z
+%%   Lower-case    \a\b\c\d\e\f\g\h\i\j\k\l\m\n\o\p\q\r\s\t\u\v\w\x\y\z
+%%   Digits        \0\1\2\3\4\5\6\7\8\9
+%%   Exclamation   \!     Double quote  \"     Hash (number) \#
+%%   Dollar        \$     Percent       \%     Ampersand     \&
+%%   Acute accent  \'     Left paren    \(     Right paren   \)
+%%   Asterisk      \*     Plus          \+     Comma         \,
+%%   Minus         \-     Point         \.     Solidus       \/
+%%   Colon         \:     Semicolon     \;     Less than     \<
+%%   Equals        \=     Greater than  \>     Question mark \?
+%%   Commercial at \@     Left bracket  \[     Backslash     \\
+%%   Right bracket \]     Circumflex    \^     Underscore    \_
+%%   Grave accent  \`     Left brace    \{     Vertical bar  \|
+%%   Right brace   \}     Tilde         \~}
+\NeedsTeXFormat{pLaTeX2e}
+\ProvidesFile{hcycle.dtx}[1996/12/25 v2.00 XyMTeX{} package file]
+\documentclass{ltxdoc}
+\GetFileInfo{hcycle.dtx}
+\def\UPSILON{\char'7}
+\def\XyM{X\kern-.30em\smash{%
+\raise.50ex\hbox{\UPSILON}}\kern-.30em{M}}
+\def\XyMTeX{\XyM\kern-.1em\TeX}
+\title{Further Hetrocycles by {\sffamily hcycle.sty}
+(\fileversion) of \XyMTeX{}}
+\author{Shinsaku Fujita \\
+Department of Chemistry and Materials Technology, \\
+Kyoto Institute of Technology, \\
+Matsugasaki, Sakyoku, Kyoto, 606 Japan
+}
+\date{\filedate}
+\begin{document}
+   \maketitle
+   \DocInput{hcycle.dtx}
+\end{document}
+\endinput
+%%
+%% End of file `hcycle.drv'.
diff --git a/Master/texmf-dist/source/latex/xymtex/hcycle.dtx b/Master/texmf-dist/source/latex/xymtex/hcycle.dtx
new file mode 100644
index 00000000000..1ad1c0059f9
--- /dev/null
+++ b/Master/texmf-dist/source/latex/xymtex/hcycle.dtx
@@ -0,0 +1,780 @@
+% \iffalse meta-comment

+%% File: hcycle.dtx

+%

+%  Copyright 1993,1996,1998 by Shinsaku Fujita

+%

+%  This file is part of XyMTeX system.

+%  -------------------------------------

+%

+% This file is a successor to:

+%

+% hcycle.sty

+% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%

+% \typeout{XyMTeX for Drawing Chemical Structural Formulas. Version 1.00}

+% \typeout{       -- Released December 1, 1993 by Shinsaku Fujita}

+% Copyright (C) 1993 by Shinsaku Fujita, all rights reserved.

+%

+% This file is a part of the macro package ``XyMTeX'' which has been 

+% designed for typesetting chemical structural formulas.

+%

+% This file is to be contained in the ``xymtex'' directory which is 

+% an input directory for TeX. It is a LaTeX optional style file and 

+% should be used only within LaTeX, because several macros of the file 

+% are based on LaTeX commands. 

+%

+% For the review of XyMTeX, see

+%  (1)  Shinsaku Fujita, ``Typesetting structural formulas with the text

+%    formatter TeX/LaTeX'', Computers and Chemistry, in press.    

+% The following book deals with an application of TeX/LaTeX to 

+% preparation of manuscripts of chemical fields:

+%  (2)  Shinsaku Fujita, ``LaTeX for Chemists and Biochemists'' 

+%    Tokyo Kagaku Dozin, Tokyo (1993) [in Japanese].  

+%

+% Copying of this file is authorized only if either

+%  (1) you make absolutely no changes to your copy, including name and 

+%     directory name; or

+%  (2) if you do make changes, 

+%     (a) you name it something other than the names included in the 

+%         ``xymtex'' directory and 

+%     (b) you are requested to leave this notice intact.

+% This restriction ensures that all standard styles are identical.

+%

+% Please report any bugs, comments, suggestions, etc. to:

+%   Shinsaku Fujita, 

+%   Ashigara Research Laboratories, Fuji Photo Film Co., Ltd., 

+%   Minami-Ashigara, Kanagawa-ken, 250-01, Japan.

+%

+% New address:

+%   Shinsaku Fujita, 

+%   Department of Chemistry and Materials Technology, 

+%   Kyoto Institute of Technology, \\

+%   Matsugasaki, Sakyoku, Kyoto, 606 Japan

+% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%

+% \def\j@urnalname{hcycle}

+% \def\versi@ndate{December 01, 1993}

+% \def\versi@nno{ver1.00}

+% \def\copyrighth@lder{SF} % Shinsaku Fujita

+% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%

+% \def\j@urnalname{hcycle}

+% \def\versi@ndate{August 16, 1996}

+% \def\versi@nno{ver1.01}

+% \def\copyrighth@lder{SF} % Shinsaku Fujita

+% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%

+% \def\j@urnalname{hcycle}

+% \def\versi@ndate{October 31, 1998}

+% \def\versi@nno{ver1.02}

+% \def\copyrighth@lder{SF} % Shinsaku Fujita

+% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%

+%

+% \fi

+%

+% \CheckSum{740}

+%% \CharacterTable

+%%  {Upper-case    \A\B\C\D\E\F\G\H\I\J\K\L\M\N\O\P\Q\R\S\T\U\V\W\X\Y\Z

+%%   Lower-case    \a\b\c\d\e\f\g\h\i\j\k\l\m\n\o\p\q\r\s\t\u\v\w\x\y\z

+%%   Digits        \0\1\2\3\4\5\6\7\8\9

+%%   Exclamation   \!     Double quote  \"     Hash (number) \#

+%%   Dollar        \$     Percent       \%     Ampersand     \&

+%%   Acute accent  \'     Left paren    \(     Right paren   \)

+%%   Asterisk      \*     Plus          \+     Comma         \,

+%%   Minus         \-     Point         \.     Solidus       \/

+%%   Colon         \:     Semicolon     \;     Less than     \<

+%%   Equals        \=     Greater than  \>     Question mark \?

+%%   Commercial at \@     Left bracket  \[     Backslash     \\

+%%   Right bracket \]     Circumflex    \^     Underscore    \_

+%%   Grave accent  \`     Left brace    \{     Vertical bar  \|

+%%   Right brace   \}     Tilde         \~}

+%

+% \setcounter{StandardModuleDepth}{1}

+%

+% \StopEventually{}

+% \MakeShortVerb{\|}

+%

+% \iffalse

+% \changes{v1.01}{1996/06/26}{first edition for LaTeX2e}

+% \changes{v1.02}{1998/10/31}{revised edition for LaTeX2e}

+% \changes{v2.00}{1998/12/25}{enhanced edition for LaTeX2e}

+% \fi

+%

+% \iffalse

+%<*driver>

+\NeedsTeXFormat{pLaTeX2e}

+% \fi

+\ProvidesFile{hcycle.dtx}[1996/12/25 v2.00 XyMTeX{} package file]

+% \iffalse

+\documentclass{ltxdoc}

+\GetFileInfo{hcycle.dtx}

+%

+% %%XyMTeX Logo: Definition 2%%%

+\def\UPSILON{\char'7}

+\def\XyM{X\kern-.30em\smash{%

+\raise.50ex\hbox{\UPSILON}}\kern-.30em{M}}

+\def\XyMTeX{\XyM\kern-.1em\TeX}

+% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%

+\title{Further Hetrocycles by {\sffamily hcycle.sty} 

+(\fileversion) of \XyMTeX{}}

+\author{Shinsaku Fujita \\ 

+Department of Chemistry and Materials Technology, \\

+Kyoto Institute of Technology, \\

+Matsugasaki, Sakyoku, Kyoto, 606 Japan

+% % (old address)

+% % Ashigara Research Laboratories, 

+% % Fuji Photo Film Co., Ltd., \\ 

+% % Minami-Ashigara, Kanagawa, 250-01 Japan

+}

+\date{\filedate}

+%

+\begin{document}

+   \maketitle

+   \DocInput{hcycle.dtx}

+\end{document}

+%</driver>

+% \fi

+%

+% \section{Introduction}\label{hcycle:intro}

+%

+% \subsection{Options for {\sffamily docstrip}}

+%

+% \DeleteShortVerb{\|}

+% \begin{center}

+% \begin{tabular}{|l|l|}

+% \hline

+% \emph{option} & \emph{function}\\ \hline

+% hcycle & hcycle.sty \\

+% driver & driver for this dtx file \\

+% \hline

+% \end{tabular}

+% \end{center}

+% \MakeShortVerb{\|}

+%

+% \subsection{Version Information}

+%

+%    \begin{macrocode}

+%<*hcycle>

+\typeout{XyMTeX for Drawing Chemical Structural Formulas. Version 2.00}

+\typeout{       -- Released December 25, 1998 by Shinsaku Fujita}

+% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%

+\def\j@urnalname{hcycle}

+\def\versi@ndate{December 25, 1998}

+\def\versi@nno{ver2.00}

+\def\copyrighth@lder{SF} % Shinsaku Fujita

+% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%

+\typeout{XyMTeX Macro File `\j@urnalname' (\versi@nno) <\versi@ndate>%

+\space[\copyrighth@lder]}

+%    \end{macrocode}

+%

+% \section{List of commands for hcycle.sty}

+%

+% \begin{verbatim}

+% ********************************

+% * hcycle.sty: list of commands *

+% ********************************

+%

+% <Convention for bond-setting>

+%

+%     \@pyrana

+%     \@pyranb

+%     \@pyranc

+%

+% <Pyranose and Furanose>

+%

+%     \pyranose                 \@pyranose

+%     \furanose                 \@furanose

+%

+% <Adustment as substituents>

+%

+%     \ylpyranoseposition

+%     \ylfuranoseposition

+% \end{verbatim}

+%

+% \section{Input of basic macros}

+%

+% To assure the compatibility to \LaTeX{}2.09 (the native mode), 

+% the commands added by \LaTeXe{} have not been used in the resulting sty 

+% files ({\sf hcycle.sty} for the present case).  Hence, the combination 

+% of |\input| and |\@ifundefined| is used to crossload sty 

+% files ({\sf chemstr.sty} for the present case) in place of the 

+% |\RequirePackage| command of \LaTeXe{}. 

+%

+%    \begin{macrocode}

+% *************************

+% * input of basic macros *

+% *************************

+\@ifundefined{setsixringv}{\input chemstr.sty\relax}{}

+\unitlength=0.1pt

+%    \end{macrocode}

+%

+% \section{Macros for setting substituents}

+% 

+% Macros |\@pyrana| to |\@pyranc| are used to set substituents 

+% on each position of a pyranose and furanose. Note that 

+% comments (conerning locant numbers) on the end of each row have 

+% lost the exact meaning, 

+% since such a command moiety is used in many macros after copying. 

+%

+% \begin{macro}{\@pyrana}

+% \begin{macro}{\@pyranb}

+% \begin{macro}{\@pyranbb}

+% \begin{macro}{\@pyranbB}

+% \begin{macro}{\@pyranc}

+% \changes{v1.02}{1998/10/31}{Adding \cs{yl@xdiff} and \cs{yl@ydiff}}

+%    \begin{macrocode}

+% **************************************************

+% * setting substituents for pyranose and furanose *

+% **************************************************

+% %%%%%%%%%%%%%%%

+% % subst. on 1 %

+% %%%%%%%%%%%%%%%

+\def\@pyrana{%

+   \if\@tmpb S%single bond

+    \ifx\@tmpc\empty%

+     \yl@xdiff=-10

+     \yl@ydiff=30

+           \put(0,0){\line(1,0){120}}% single bond at 1

+           \putratom{130}{-30}{\@memberb}% right type

+    \else\if\@tmpc a%(a) alpha

+     \yl@xdiff=32

+     \yl@ydiff=72

+           \put(0,0){\line(0,-1){118}}% single bond at 1 alpha (down)

+           \putratom{-32}{-190}{\@memberb}% right type

+    \else\if\@tmpc b%(e) beta

+     \yl@xdiff=32

+     \yl@ydiff=-12

+           \put(0,0){\line(0,1){118}}% single bond at 1 beta (up)

+           \putratom{-32}{130}{\@memberb}% right type

+    \else\if\@tmpc A% alpha

+     \yl@xdiff=-10

+     \yl@ydiff=60

+           \put(0,0){\line(1,-1){120}}% single bond at 1

+           \putratom{130}{-180}{\@memberb}% right type

+    \else\if\@tmpc B% beta

+     \yl@xdiff=-10

+     \yl@ydiff=10

+           \put(0,0){\line(1,1){120}}% single bond at 1

+           \putratom{130}{110}{\@memberb}% right type

+    \fi\fi\fi\fi\fi%

+   \else \if\@tmpb D%double bond

+     \yl@xdiff=-10

+     \yl@ydiff=30

+           \put(0,-15){\line(1,0){120}}% double bond at 1

+           \put(0,15){\line(1,0){120}}% double bond at 1

+           \putratom{130}{-30}{\@memberb}% right type

+          \else%

+     \yl@xdiff=-10

+     \yl@ydiff=30

+           \put(0,0){\line(1,0){120}}% single bond at 1

+           \putratom{130}{-30}{\@memberb}% right type

+   \fi\fi}%

+%    \end{macrocode}

+%

+% \changes{v1.02}{1998/10/25}{\cs{@pyranb} is divided into 

+% \cs{@pyranb}, \cs{@pyranbb} and \cs{@pyranbB}}
+% \changes{v1.02}{1998/10/31}{Adding \cs{yl@xdiff} and \cs{yl@ydiff}}
+%    \begin{macrocode}

+% %%%%%%%%%%%%%%%%%%%

+% % subst. on 2,3,5 %

+% %%%%%%%%%%%%%%%%%%%

+% %%%%%%%%%%%%%%%

+% % subst. on 2 %

+% %%%%%%%%%%%%%%%

+\def\@pyranb{%

+   \if\@tmpb S%single bond

+    \ifx\@tmpc\empty%

+     \yl@xdiff=-10

+     \yl@ydiff=60

+           \put(0,0){\line(1,-1){120}}% single bond at 1

+           \putratom{130}{-180}{\@memberb}% left type

+    \else\if\@tmpc a%(a) alpha

+     \yl@xdiff=32

+     \yl@ydiff=72

+           \put(0,0){\line(0,-1){118}}% single bond alpha (down)

+           \putlratom{-32}{-190}{\@memberb}% left & right type

+    \else\if\@tmpc b%(b) beta

+     \yl@xdiff=32

+     \yl@ydiff=-12

+           \put(0,0){\line(0,1){118}}% single bond beta (up)

+           \putlratom{-32}{130}{\@memberb}% left & right type

+    \fi\fi\fi%\fi\fi%

+   \else \if\@tmpb D%double bond: Added by SF 1998/10/25

+     \yl@xdiff=-10

+     \yl@ydiff=60

+           \put(-15,-15){\line(1,-1){120}}% double bond at 1

+           \put(0,15){\line(1,-1){120}}% double bond at 1

+           \putratom{130}{-180}{\@memberb}% right type

+          \else%

+     \yl@xdiff=-10

+     \yl@ydiff=10

+           \put(0,0){\line(1,1){120}}% single bond at 1

+           \putratom{130}{110}{\@memberb}% left type

+\fi\fi}%

+%    \end{macrocode}

+%

+% \changes{v1.02}{1998/10/31}{Adding \cs{yl@xdiff} and \cs{yl@ydiff}}
+%    \begin{macrocode}

+% %%%%%%%%%%%%%%%

+% % subst. on 3 %

+% %%%%%%%%%%%%%%%

+\def\@pyranbb{%

+   \if\@tmpb S%single bond

+    \ifx\@tmpc\empty%

+     \yl@xdiff=-10

+     \yl@ydiff=60

+           \put(0,0){\line(1,-1){120}}% single bond at 1

+           \putratom{130}{-180}{\@memberb}% left type

+    \else\if\@tmpc a%(a) alpha

+     \yl@xdiff=32

+     \yl@ydiff=72

+           \put(0,0){\line(0,-1){118}}% single bond alpha (down)

+           \putlratom{-32}{-190}{\@memberb}% left & right type

+    \else\if\@tmpc b%(b) beta

+     \yl@xdiff=32

+     \yl@ydiff=-12

+           \put(0,0){\line(0,1){118}}% single bond beta (up)

+           \putlratom{-32}{130}{\@memberb}% left & right type

+    \fi\fi\fi%\fi\fi%

+   \else \if\@tmpb D%double bond: Added by SF 1998/10/25

+     \yl@xdiff=20

+     \yl@ydiff=60

+           \put(15,-15){\line(-1,-1){120}}% double bond at 1

+           \put(0,15){\line(-1,-1){120}}% double bond at 1

+           \putlatom{-130}{-180}{\@memberb}%left type

+          \else%

+     \yl@xdiff=10

+     \yl@ydiff=60

+           \put(0,0){\line(-1,-1){120}}% single bond at 1

+           \putlatom{-130}{-180}{\@memberb}% left type

+\fi\fi}%

+%    \end{macrocode}

+%

+% \changes{v1.02}{1998/10/31}{Adding \cs{yl@xdiff} and \cs{yl@ydiff}}
+%    \begin{macrocode}

+% %%%%%%%%%%%%%%%

+% % subst. on 5 %

+% %%%%%%%%%%%%%%%

+\def\@pyranbB{%

+   \if\@tmpb S%single bond

+    \ifx\@tmpc\empty%

+     \yl@xdiff=-10

+     \yl@ydiff=60

+           \put(0,0){\line(1,-1){120}}% single bond at 5

+           \putratom{130}{-180}{\@memberb}% left type

+    \else\if\@tmpc a%(a) alpha

+     \yl@xdiff=32

+     \yl@ydiff=72

+           \put(0,0){\line(0,-1){118}}% single bond alpha (down)

+           \putlratom{-32}{-190}{\@memberb}% left & right type

+    \else\if\@tmpc b%(b) beta

+     \yl@xdiff=32

+     \yl@ydiff=-12

+           \put(0,0){\line(0,1){118}}% single bond beta (up)

+           \putlratom{-32}{130}{\@memberb}% left & right type

+    \fi\fi\fi%\fi\fi%

+   \else \if\@tmpb D%double bond: Added by SF 1998/10/25

+     \yl@xdiff=0

+     \yl@ydiff=-20

+           \put(15,15){\line(-1,1){120}}% double bond at 5

+           \put(0,-15){\line(-1,1){120}}% double bond at 5

+           \putlatom{-120}{140}{\@memberb}%left type

+          \else%

+     \yl@xdiff=10

+     \yl@ydiff=-20

+           \put(0,0){\line(-1,1){120}}% single bond at 1

+           \putlatom{-130}{140}{\@memberb}% left type

+\fi\fi}%

+%    \end{macrocode}

+%

+% \changes{v1.02}{1998/10/31}{Adding \cs{yl@xdiff} and \cs{yl@ydiff}}
+%    \begin{macrocode}

+% %%%%%%%%%%%%%%%

+% % subst. on 4 %

+% %%%%%%%%%%%%%%%

+\def\@pyranc{%

+   \if\@tmpb S%single bond

+    \ifx\@tmpc\empty%

+     \yl@xdiff=10

+     \yl@ydiff=30

+           \put(0,0){\line(-1,0){120}}% single bond at 4

+           \putlatom{-130}{-30}{\@memberb}% left type

+    \else\if\@tmpc a%(a) alpha

+     \yl@xdiff=-32

+     \yl@ydiff=72

+           \put(0,0){\line(0,-1){118}}% single bond at 4 alpha (down)

+           \putlatom{32}{-190}{\@memberb}% left type

+    \else\if\@tmpc b%(e) beta

+     \yl@xdiff=-32

+     \yl@ydiff=-12

+           \put(0,0){\line(0,1){118}}% single bond at 4 beta (up)

+           \putlatom{32}{130}{\@memberb}% left type

+    \else\if\@tmpc A% alpha

+     \yl@xdiff=10

+     \yl@ydiff=60

+           \put(0,0){\line(-1,-1){120}}% single bond at 4

+           \putlatom{-130}{-180}{\@memberb}% left type

+    \else\if\@tmpc B% beta

+     \yl@xdiff=10

+     \yl@ydiff=10

+           \put(0,0){\line(-1,1){120}}% single bond at 4

+           \putlatom{-130}{110}{\@memberb}% left type

+    \fi\fi\fi\fi\fi%

+   \else \if\@tmpb D%double bond

+     \yl@xdiff=10

+     \yl@ydiff=30

+           \put(0,-15){\line(-1,0){120}}% double bond at 4

+           \put(0,15){\line(-1,0){120}}% double bond at 4

+           \putlatom{-130}{-30}{\@memberb}% left type

+          \else%

+     \yl@xdiff=10

+     \yl@ydiff=30

+           \put(0,0){\line(-1,0){120}}% single bond at 4

+           \putlatom{-130}{-30}{\@memberb}% left type

+   \fi\fi}%

+%    \end{macrocode}

+% \end{macro}

+% \end{macro}

+% \end{macro}

+% \end{macro}

+% \end{macro}

+%

+% \section{Pyranose derivatives}

+%

+% The standard skeleton of pyranose is selected 

+% to have the following locant numbers. 

+%

+% \begin{verbatim}

+% ***********************

+% * pyranose derivative *

+% ***********************

+%

+% The following numbering is adopted in this macro. 

+%

+%                                5  e  6

+%                                 ----O

+%                             d *       * f

+%   the original point ===> 4 *           * 1

+%          (0,0)                *       * a

+%                             c   -----

+%                                3  b   2

+% \end{verbatim}

+%

+% The macro |\pyranose| has an argument |SUBSLIST| as well as an optional 

+% argument |BONDLIST|.  

+% \begin{verbatim}

+%

+%   \pyranose[BONDLIST]{SUBSLIST}          

+%

+% \end{verbatim}

+%

+% The |BONDLIST| argument contains one or more 

+% characters selected from a to f, each of which indicates the presence of 

+% an inner (endcyclic) double bond on the corresponding position. 

+% \begin{verbatim}

+%

+%     BONDLIST = 

+%

+%           none       :  mother skeleton

+%           a          :  1,2-double bond

+%           b          :  2,3-double bond

+%           c          :  4,3-double bond

+%           d          :  4,5-double bond

+%           e          :  5,6-double bond

+%           f          :  6,1-double bond

+%

+% \end{verbatim}

+%

+% The |SUBSLIST| argument contains one or more substitution descriptors 

+% which are separated from each other by a semicolon.  Each substitution 

+% descriptor has a locant number with a bond modifier and a substituent, 

+% where these are separated with a double equality symbol. 

+% \begin{verbatim}

+%

+%     SUBSLIST: list of substituents (max 5 substitution positions)

+%

+%       for n = 1 to 5 

+%

+%           nD         :  exocyclic double bond at n-atom

+%           n or nS    :  exocyclic single bond at n-atom

+%           nSA        :  single bond (down) at n-atom (for n=1)

+%           nSB        :  single bond (up) at n-atom (for n=1)

+%           nSa        :  alpha single bond at n-atom

+%           nSb        :  beta single bond at n-atom

+%

+% \end{verbatim}

+%

+% Several examples are shown as follows.

+% \begin{verbatim}

+%       e.g. 

+%        

+%        \pyranose{1Sb==Cl;2Sa==F}

+%        \pyranose{1Sb==Cl;4Sa==F;2Sa==CH$_{3}$}

+%        \pyranose[a]{3Sb==OAc;4Sb==\lmoiety{MeO};5Sb==CH$_{2}$OAc}

+% \end{verbatim}

+%

+% The definition of |\@pyranose| uses a picture environment, in which 

+% bonds are put directly, while subsituents are typset by using 

+% the macros |\@pyrana| to |\@pyranc| described above.  

+% \changes{v1.02}{1998/10/31}{Adding \cs{ylpyranoseposition}, \cs{if@ylsw},

+% \cs{yl@shifti}, \cs{@ylii}, \cs{yl@shiftii}, \cs{@ylii}, 

+% \cs{yl@xdiff} and \cs{yl@ydiff}}

+%

+% \begin{macro}{\pyranose}

+% \begin{macro}{\@pyranose}

+%    \begin{macrocode}

+\def\pyranose{\@ifnextchar[{\@pyranose}{\@pyranose[r]}}

+\def\@pyranose[#1]#2{%

+\@reset@ylsw%

+\ylpyranoseposition{#2}%

+\def\@@ylii{0}\def\@@yli{0}%

+\if@ylsw

+ \yl@shiftii=\@ylii

+ \yl@shifti=\@yli

+ \advance\yl@shiftii\@@ylii

+ \advance\yl@shifti\@@yli

+ \advance\yl@shiftii\yl@xdiff

+ \advance\yl@shifti\yl@ydiff

+ \begin{picture}(0,0)(-\yl@shiftii,-\yl@shifti)

+ \reset@yl@xydiff%1999/1/6 by S. Fujita

+\else

+ \begin{picture}(880,800)(-240,-400)

+  \iforigpt \put(-240,-400){\circle*{50}}%

+           \put(0,0){\circle{50}}% 

+   \typeout{command `pyranose' origin: (0,0) ---> (240,400)}

+  \fi%

+\fi

+  \put(0,0){\line(3,5){120}}%           %bond 4-5

+  \put(120,200){\line(1,0){252}}%       %bond 5-6

+  \put(532,0){\line(-3,5){96}}%         %bond 1-6

+ {\thicklines%

+  \put(0,0){\line(3,-5){120}}%          %bond 4-3

+  \put(412,-200){\line(3,5){120}}%      %bond 2-1

+  \put(120,-200){\line(1,0){292}}}%     %bond 3-2

+  \putratom{382}{160}{O}% left type

+  %

+\@tfor\member:=#1\do{%

+\if\member r%no endcyclic double bonds

+\else \if\member a%

+  \put(400,-150){\line(3,5){90}}%       %double bond 2-1

+\else \if\member b%

+  \put(150,-160){\line(1,0){232}}%      %double bond 3-2

+\else \if\member c%

+  \put(50,-12){\line(3,-5){90}}%        %double bond 4-3

+\else \if\member d%

+  \put(50,12){\line(3,5){90}}%          %double bond 4-5

+\else \if\member e%

+  \put(150,160){\line(1,0){232}}%       %double bond 5-6

+\else \if\member f%

+  \put(482,12){\line(-3,5){70}}%        %double bond 1-6

+\fi\fi\fi\fi\fi\fi\fi}%

+%

+\@forsemicol\member:=#2\do{%

+\ifx\member\empty\else

+\expandafter\@m@mb@r\member;\relax%

+\expandafter\threech@r\@membera{}{}%

+\ifx\@memberb\@yl\else

+\ifcase\@tmpa%0 omit

+ \or \put(532,0){\@pyrana}% subst. on 1

+ \or \put(412,-200){\@pyranb}% subst. on 2

+ \or \put(120,-200){\@pyranbb}% subst. on 3

+ \or \put(0,0){\@pyranc}% subst. on 4

+ \or \put(120,200){\@pyranbB}% subst. on 5

+\fi %end of ifcase

+\fi\fi%

+}\end{picture}}%               %end of \pyranose macro

+%    \end{macrocode}

+% \end{macro}

+% \end{macro}

+%

+% The command |\ylpyranoseposition| is to obtain the shift values 

+% |\@ylii| and |\@yli| which are used for shifting the standard 

+% point of a substituent. 

+% \changes{v1.02}{1998/10/25}{New commands for setting substituents}
+%

+% \begin{macro}{\ylpyranoseposition}

+%    \begin{macrocode}

+\def\ylpyranoseposition#1{%

+\@@ylswfalse%%%\@reset@ylsw

+\@forsemicol\member:=#1\do{%

+\if@@ylsw\else

+\ifx\member\empty\else

+\expandafter\@m@mb@r\member;\relax

+\expandafter\threech@r\@membera{}{}\relax

+\ifx\@memberb\@yl\relax\@@ylswtrue\else\@@ylswfalse\fi

+\if@@ylsw

+\ifcase\@tmpa%0 omit

+ \or\gdef\@ylii{-532}\gdef\@yli{0}\global\@ylswtrue% subst. on 1

+ \or\gdef\@ylii{-412}\gdef\@yli{200}\global\@ylswtrue% subst. on 2

+ \or\gdef\@ylii{-120}\gdef\@yli{200}\global\@ylswtrue% subst. on 3

+ \or\gdef\@ylii{0}\gdef\@yli{0}\global\@ylswtrue% subst. on 4

+ \or\gdef\@ylii{-120}\gdef\@yli{-200}\global\@ylswtrue% subst. on 5

+\fi%end of ifcase

+\fi\fi\fi}}%

+%    \end{macrocode}

+% \end{macro}

+%

+% \section{Furanose derivatives}

+%

+% The standard skeleton of furanose is selected 

+% to have the following locant numbers. 

+%

+% \begin{verbatim}

+% ***********************

+% * furanose derivative *

+% ***********************

+%

+% The following numbering is adopted in this macro. 

+%

+%                                   5

+%                                   O

+%                             d  *     * e

+%   the original point ===> 4 *           * 1

+%          (0,0)                *       * a

+%                             c   -----

+%                                3  b   2

+%

+% \end{verbatim}

+%

+% The macro |\furanose| has an argument |SUBSLIST| as well as an optional 

+% argument |BONDLIST|.  

+% \begin{verbatim}

+%   \furanose[BONDLIST]{SUBSLIST}          

+% \end{verbatim}

+%

+% The |BONDLIST| argument contains one or more 

+% characters selected from a to e, each of which indicates the presence of 

+% an inner (endcyclic) double bond on the corresponding position. 

+% \begin{verbatim}

+%     BONDLIST = 

+%

+%           none       :  mother skeleton

+%           a          :  1,2-double bond

+%           b          :  2,3-double bond

+%           c          :  4,3-double bond

+%           d          :  4,5-double bond

+%           e          :  5,6-double bond

+% \end{verbatim}

+%

+% The |SUBSLIST| argument contains one or more substitution descriptors 

+% which are separated from each other by a semicolon.  Each substitution 

+% descriptor has a locant number with a bond modifier and a substituent, 

+% where these are separated with a double equality symbol. 

+% \begin{verbatim}

+%     SUBSLIST: list of substituents (max 4 substitution positions)

+%

+%       for n = 1 to 4

+%

+%           nD         :  exocyclic double bond at n-atom

+%           n or nS    :  exocyclic single bond at n-atom

+%           nSA        :  single bond (down) at n-atom (for n=1)

+%           nSB        :  single bond (up) at n-atom (for n=1)

+%           nSa        :  alpha single bond at n-atom

+%           nSb        :  beta single bond at n-atom

+%\end{verbatim}

+%

+% Several examples are shown as follows.

+% \begin{verbatim}

+%       e.g. 

+%        

+%        \furanose{1Sa==Cl;2Sb==F}

+%

+% \end{verbatim}

+%

+% The definition of |\@furanose| uses a picture environment, in which 

+% bonds are put directly, while subsituents are typset by using 

+% the macros |\@pyrana| to |\@pyranc| described above.  

+% \changes{v1.02}{1998/10/31}{Adding \cs{ylfuranoseposition}, \cs{if@ylsw},

+% \cs{yl@shifti}, \cs{@ylii}, \cs{yl@shiftii}, \cs{@ylii}, 

+% \cs{yl@xdiff} and \cs{yl@ydiff}}

+%

+% \begin{macro}{\furanose}

+% \begin{macro}{\@furanose}

+%    \begin{macrocode}

+\def\furanose{\@ifnextchar[{\@furanose}{\@furanose[r]}}

+\def\@furanose[#1]#2{%

+\@reset@ylsw%

+\ylfuranoseposition{#2}%

+\def\@@ylii{0}\def\@@yli{0}%

+\if@ylsw

+ \yl@shiftii=\@ylii

+ \yl@shifti=\@yli

+ \advance\yl@shiftii\@@ylii

+ \advance\yl@shifti\@@yli

+ \advance\yl@shiftii\yl@xdiff

+ \advance\yl@shifti\yl@ydiff

+ \begin{picture}(0,0)(-\yl@shiftii,-\yl@shifti)

+ \reset@yl@xydiff%1999/1/6 by S. Fujita

+\else

+ \begin{picture}(880,800)(-240,-400)

+  \iforigpt \put(-240,-400){\circle*{50}}%

+           \put(0,0){\circle{50}}% 

+   \typeout{command `furanose' origin: (0,0) ---> (240,400)}

+\fi

+  \fi%

+   \put(0,0){\line(5,3){236}}%          %bond 4-5

+   \put(532,0){\line(-5,3){236}}%       %bond 1-5

+ {\thicklines%

+  \put(0,0){\line(3,-5){120}}%          %bond 4-3

+  \put(412,-200){\line(3,5){120}}%      %bond 2-1

+  \put(120,-200){\line(1,0){292}}}%     %bond 3-2

+  \putratom{236}{130}{O}% left type

+%

+\@tfor\member:=#1\do{%

+\if\member r%no endcyclic double bonds

+\else \if\member a%

+  \put(400,-150){\line(3,5){80}}%       %double bond 2-1

+\else \if\member b%

+  \put(150,-160){\line(1,0){232}}%      %double bond 3-2

+\else \if\member c%

+  \put(50,-12){\line(3,-5){80}}%        %double bond 4-3

+\else \if\member d%

+  \put(50,0){\line(5,3){180}}%          %double bond 4-5

+\else \if\member e%

+  \put(482,0){\line(-5,3){180}}%        %double bond 1-5

+\fi\fi\fi\fi\fi\fi}%

+%

+\@forsemicol\member:=#2\do{%

+\ifx\member\empty\else

+\expandafter\@m@mb@r\member;\relax%

+\expandafter\threech@r\@membera{}{}%

+\ifx\@memberb\@yl\else

+\ifcase\@tmpa%0 omit

+ \or \put(532,0){\@pyrana}% subst. on 1

+ \or \put(412,-200){\@pyranb}% subst. on 2

+ \or \put(120,-200){\@pyranbb}% subst. on 3

+ \or \put(0,0){\@pyranc}% subst. on 4

+\fi%end of ifcase

+\fi\fi%

+}\end{picture}}%               %end of \furanose macro

+%    \end{macrocode}

+% \end{macro}

+% \end{macro}

+%

+% The command |\ylfuranoseposition| is to obtain the shift values 

+% |\@ylii| and |\@yli| which are used for shifting the standard 

+% point of a substituent. 

+% \changes{v1.02}{1998/10/23}{New commands for setting substituents}
+%

+% \begin{macro}{\ylfuranoseposition}

+%    \begin{macrocode}

+\def\ylfuranoseposition#1{%

+\@@ylswfalse%%%\@reset@ylsw

+\@forsemicol\member:=#1\do{%

+\if@@ylsw\else

+\ifx\member\empty\else

+\expandafter\@m@mb@r\member;\relax

+\expandafter\threech@r\@membera{}{}\relax

+\ifx\@memberb\@yl\relax\@@ylswtrue\else\@@ylswfalse\fi

+\if@@ylsw

+\ifcase\@tmpa%0 omit

+ \or\gdef\@ylii{-532}\gdef\@yli{0}\global\@ylswtrue% subst. on 1

+ \or\gdef\@ylii{-412}\gdef\@yli{200}\global\@ylswtrue% subst. on 2

+ \or\gdef\@ylii{-120}\gdef\@yli{200}\global\@ylswtrue% subst. on 3

+ \or\gdef\@ylii{0}\gdef\@yli{0}\global\@ylswtrue% subst. on 4

+\fi%end of ifcase

+\fi\fi\fi}}%

+%</hcycle>

+%    \end{macrocode}

+% \end{macro}

+%

+% \Finale

+%

+\endinput

+
\ No newline at end of file
diff --git a/Master/texmf-dist/source/latex/xymtex/hcycle.ins b/Master/texmf-dist/source/latex/xymtex/hcycle.ins
new file mode 100644
index 00000000000..6923dd23dae
--- /dev/null
+++ b/Master/texmf-dist/source/latex/xymtex/hcycle.ins
@@ -0,0 +1,50 @@
+\def\batchfile{hcycle.ins}

+\input docstrip.tex

+\preamble

+

+This is a generated file.

+

+Copyright 1996,1998 by Shinsaku Fujita

+

+This file is part of the XyMTeX system.

+=======================================

+

+Version 1.01 Released on August 16, 1996 

+Version 1.02 Released on October 31, 1996 (private version)

+Version 2.00 Released on December 25, 1998

+

+Copyright (C) 1996,1998 by Shinsaku Fujita, all rights reserved.

+This style file is created for drawing chemical structural formulas 

+This style file is to be contained in the ``xymtex'' directory which 

+is an input directory for TeX. 

+

+Copying of this file is authorized only if either

+

+ (1) you make absolutely no changes to your copy, including name and 

+     directory name 

+ (2) if you do make changes, 

+     (a) you name it something other than the names included in the 

+         ``xymtex'' directory and 

+     (b) you acknowledge the original name. 

+ This restriction ensures that all standard styles are identical.

+

+=======================================

+

+This file contains several codes modified from latex.tex (LaTeX2.09) 

+and from latex.ltx (a LaTeX2e), the reused parts of which are subject to 

+Copyright 1994 the LaTeX3 project and the individual authors (For further 

+copyright information see the file legal.txt of the LaTeX2e standard 

+distribution, and any other copyright indicated in this file.)

+

+\endpreamble

+

+\keepsilent

+

+\generateFile{hcycle.drv}{t}{%

+  \from{hcycle.dtx}{driver}}

+

+\generateFile{hcycle.sty}{t}{%

+  \from{hcycle.dtx}{hcycle}}

+

+\endinput

+
\ No newline at end of file
diff --git a/Master/texmf-dist/source/latex/xymtex/hetarom.drv b/Master/texmf-dist/source/latex/xymtex/hetarom.drv
new file mode 100644
index 00000000000..28c92655836
--- /dev/null
+++ b/Master/texmf-dist/source/latex/xymtex/hetarom.drv
@@ -0,0 +1,82 @@
+%%
+%% This is file `hetarom.drv',
+%% generated with the docstrip utility.
+%%
+%% The original source files were:
+%%
+%% hetarom.dtx  (with options: `driver')
+%% 
+%% This is a generated file.
+%% 
+%% Copyright 1996, 1998, 2000 by Shinsaku Fujita
+%% 
+%% This file is part of the XyMTeX system.
+%% =======================================
+%% 
+%% Version 1.01 Released on August 16, 1996
+%% Version 1.02 Released on October 31, 1998 (private version)
+%% Version 2.00 Released on December 25, 1998
+%% Version 2.00a Released on November 11, 2000
+%% 
+%% Copyright (C) 1996,1998,2000 by Shinsaku Fujita, all rights reserved.
+%% This style file is created for drawing chemical structural formulas
+%% This style file is to be contained in the ``xymtex'' directory which
+%% is an input directory for TeX.
+%% 
+%% Copying of this file is authorized only if either
+%% 
+%%  (1) you make absolutely no changes to your copy, including name and
+%%      directory name
+%%  (2) if you do make changes,
+%%      (a) you name it something other than the names included in the
+%%          ``xymtex'' directory and
+%%      (b) you acknowledge the original name.
+%%  This restriction ensures that all standard styles are identical.
+%% 
+%% =======================================
+%% 
+%% This file contains several codes modified from latex.tex (LaTeX2.09)
+%% and from latex.ltx (a LaTeX2e), the reused parts of which are subject to
+%% Copyright 1994 the LaTeX3 project and the individual authors (For further
+%% copyright information see the file legal.txt of the LaTeX2e standard
+%% distribution, and any other copyright indicated in this file.)
+%% 
+%% File: hetarom.dtx
+%% \CharacterTable
+%%  {Upper-case    \A\B\C\D\E\F\G\H\I\J\K\L\M\N\O\P\Q\R\S\T\U\V\W\X\Y\Z
+%%   Lower-case    \a\b\c\d\e\f\g\h\i\j\k\l\m\n\o\p\q\r\s\t\u\v\w\x\y\z
+%%   Digits        \0\1\2\3\4\5\6\7\8\9
+%%   Exclamation   \!     Double quote  \"     Hash (number) \#
+%%   Dollar        \$     Percent       \%     Ampersand     \&
+%%   Acute accent  \'     Left paren    \(     Right paren   \)
+%%   Asterisk      \*     Plus          \+     Comma         \,
+%%   Minus         \-     Point         \.     Solidus       \/
+%%   Colon         \:     Semicolon     \;     Less than     \<
+%%   Equals        \=     Greater than  \>     Question mark \?
+%%   Commercial at \@     Left bracket  \[     Backslash     \\
+%%   Right bracket \]     Circumflex    \^     Underscore    \_
+%%   Grave accent  \`     Left brace    \{     Vertical bar  \|
+%%   Right brace   \}     Tilde         \~}
+\NeedsTeXFormat{pLaTeX2e}
+\ProvidesFile{hetarom.dtx}[1998/12/25 v2.00 XyMTeX{} package file]
+\documentclass{ltxdoc}
+\GetFileInfo{hetarom.dtx}
+\def\UPSILON{\char'7}
+\def\XyM{X\kern-.30em\smash{%
+\raise.50ex\hbox{\UPSILON}}\kern-.30em{M}}
+\def\XyMTeX{\XyM\kern-.1em\TeX}
+\title{Heterocycles of vertical type by {\sffamily hetarom.sty}
+(\fileversion) of \XyMTeX{}}
+\author{Shinsaku Fujita \\
+Department of Chemistry and Materials Technology, \\
+Kyoto Institute of Technology, \\
+Matsugasaki, Sakyoku, Kyoto, 606-8585 Japan
+}
+\date{\filedate}
+\begin{document}
+   \maketitle
+   \DocInput{hetarom.dtx}
+\end{document}
+\endinput
+%%
+%% End of file `hetarom.drv'.
diff --git a/Master/texmf-dist/source/latex/xymtex/hetarom.dtx b/Master/texmf-dist/source/latex/xymtex/hetarom.dtx
new file mode 100644
index 00000000000..e4c4108c4a2
--- /dev/null
+++ b/Master/texmf-dist/source/latex/xymtex/hetarom.dtx
@@ -0,0 +1,9028 @@
+% \iffalse meta-comment

+%% File: hetarom.dtx

+%

+%  Copyright 1993,1996,1998,2000 by Shinsaku Fujita

+%

+%  This file is part of XyMTeX system.

+%  -------------------------------------

+%

+% This file is a successor to:

+%

+% hetarom.sty

+% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%

+% \typeout{XyMTeX for Drawing Chemical Structural Formulas. Version 1.00}

+% \typeout{       -- Released December 1, 1993 by Shinsaku Fujita}

+% Copyright (C) 1993 by Shinsaku Fujita, all rights reserved.

+%

+% This file is a part of the macro package ``XyMTeX'' which has been 

+% designed for typesetting chemical structural formulas.

+%

+% This file is to be contained in the ``xymtex'' directory which is 

+% an input directory for TeX. It is a LaTeX optional style file and 

+% should be used only within LaTeX, because several macros of the file 

+% are based on LaTeX commands. 

+%

+% For the review of XyMTeX, see

+%  (1)  Shinsaku Fujita, ``Typesetting structural formulas with the text

+%    formatter TeX/LaTeX'', Computers and Chemistry, in press.    

+% The following book deals with an application of TeX/LaTeX to 

+% preparation of manuscripts of chemical fields:

+%  (2)  Shinsaku Fujita, ``LaTeX for Chemists and Biochemists'' 

+%    Tokyo Kagaku Dozin, Tokyo (1993) [in Japanese].  

+%

+% Copying of this file is authorized only if either

+%  (1) you make absolutely no changes to your copy, including name and 

+%     directory name; or

+%  (2) if you do make changes, 

+%     (a) you name it something other than the names included in the 

+%         ``xymtex'' directory and 

+%     (b) you are requested to leave this notice intact.

+% This restriction ensures that all standard styles are identical.

+%

+% Please report any bugs, comments, suggestions, etc. to:

+%   Shinsaku Fujita, 

+%   Ashigara Research Laboratories, Fuji Photo Film Co., Ltd., 

+%   Minami-Ashigara, Kanagawa-ken, 250-01, Japan.

+%

+% New address:

+%   Shinsaku Fujita, 

+%   Department of Chemistry and Materials Technology, 

+%   Kyoto Institute of Technology, \\

+%   Matsugasaki, Sakyoku, Kyoto, 606 Japan

+% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%

+% \def\j@urnalname{hetarom}

+% \def\versi@ndate{December 01, 1993}

+% \def\versi@nno{ver1.00}

+% \def\copyrighth@lder{SF} % Shinsaku Fujita

+% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%

+% \def\j@urnalname{hetarom}

+% \def\versi@ndate{August 16, 1996}

+% \def\versi@nno{ver1.01}

+% \def\copyrighth@lder{SF} % Shinsaku Fujita

+% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%

+% \def\j@urnalname{hetarom}

+% \def\versi@ndate{October 31, 1998}

+% \def\versi@nno{ver1.02}

+% \def\copyrighth@lder{SF} % Shinsaku Fujita

+% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%

+% \def\j@urnalname{hetarom}

+% \def\versi@ndate{December 25, 1998}

+% \def\versi@nno{ver2.00}

+% \def\copyrighth@lder{SF} % Shinsaku Fujita

+% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%

+%

+% \fi

+%

+% \CheckSum{9447}

+%% \CharacterTable

+%%  {Upper-case    \A\B\C\D\E\F\G\H\I\J\K\L\M\N\O\P\Q\R\S\T\U\V\W\X\Y\Z

+%%   Lower-case    \a\b\c\d\e\f\g\h\i\j\k\l\m\n\o\p\q\r\s\t\u\v\w\x\y\z

+%%   Digits        \0\1\2\3\4\5\6\7\8\9

+%%   Exclamation   \!     Double quote  \"     Hash (number) \#

+%%   Dollar        \$     Percent       \%     Ampersand     \&

+%%   Acute accent  \'     Left paren    \(     Right paren   \)

+%%   Asterisk      \*     Plus          \+     Comma         \,

+%%   Minus         \-     Point         \.     Solidus       \/

+%%   Colon         \:     Semicolon     \;     Less than     \<

+%%   Equals        \=     Greater than  \>     Question mark \?

+%%   Commercial at \@     Left bracket  \[     Backslash     \\

+%%   Right bracket \]     Circumflex    \^     Underscore    \_

+%%   Grave accent  \`     Left brace    \{     Vertical bar  \|

+%%   Right brace   \}     Tilde         \~}

+%

+% \setcounter{StandardModuleDepth}{1}

+%

+% \StopEventually{}

+% \MakeShortVerb{\|}

+%

+% \iffalse

+% \changes{v1.01}{1996/06/27}{first edition for LaTeX2e}

+% \changes{v1.02}{1998/10/31}{revised edition for LaTeX2e}

+% \changes{v2.00}{1998/12/25}{enhanced edition for LaTeX2e}

+% \changes{v2.00a}{1998/11/11}{bug fix}

+% \fi

+%

+% \iffalse

+%<*driver>

+\NeedsTeXFormat{pLaTeX2e}

+% \fi

+\ProvidesFile{hetarom.dtx}[1998/12/25 v2.00 XyMTeX{} package file]

+% \iffalse

+\documentclass{ltxdoc}

+\GetFileInfo{hetarom.dtx}

+%

+% %%XyMTeX Logo: Definition 2%%%

+\def\UPSILON{\char'7}

+\def\XyM{X\kern-.30em\smash{%

+\raise.50ex\hbox{\UPSILON}}\kern-.30em{M}}

+\def\XyMTeX{\XyM\kern-.1em\TeX}

+% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%

+\title{Heterocycles of vertical type by {\sffamily hetarom.sty} 

+(\fileversion) of \XyMTeX{}}

+\author{Shinsaku Fujita \\ 

+Department of Chemistry and Materials Technology, \\

+Kyoto Institute of Technology, \\

+Matsugasaki, Sakyoku, Kyoto, 606-8585 Japan

+% % (old address)

+% % Ashigara Research Laboratories, 

+% % Fuji Photo Film Co., Ltd., \\ 

+% % Minami-Ashigara, Kanagawa, 250-01 Japan

+}

+\date{\filedate}

+%

+\begin{document}

+   \maketitle

+   \DocInput{hetarom.dtx}

+\end{document}

+%</driver>

+% \fi

+%

+% \section{Introduction}\label{hetarom:intro}

+%

+% \subsection{Options for {\sffamily docstrip}}

+%

+% \DeleteShortVerb{\|}

+% \begin{center}

+% \begin{tabular}{|l|l|}

+% \hline

+% \emph{option} & \emph{function}\\ \hline

+% hetarom & hetarom.sty \\

+% driver & driver for this dtx file \\

+% \hline

+% \end{tabular}

+% \end{center}

+% \MakeShortVerb{\|}

+%

+% \subsection{Version Information}

+%

+%    \begin{macrocode}

+%<*hetarom>

+\typeout{XyMTeX for Drawing Chemical Structural Formulas. Version 2.00}

+\typeout{       -- Released December 25, 1998 by Shinsaku Fujita}

+% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%

+\def\j@urnalname{hetarom}

+\def\versi@ndate{November 11, 2000}

+\def\versi@nno{ver2.00a}

+\def\copyrighth@lder{SF} % Shinsaku Fujita

+% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%

+\typeout{XyMTeX Macro File `\j@urnalname' (\versi@nno) <\versi@ndate>%

+\space[\copyrighth@lder]}

+%    \end{macrocode}

+%

+% \section{List of commands for hetarom.sty}

+%

+% \begin{verbatim}

+% *********************************

+% * hetarom.sty: list of commands *

+% *********************************

+%

+% <Various flags (switches)>

+%

+%     \if@gclip \@gclipfalse \@gcliptrue

+%     \if@hclip \@hclipfalse \@hcliptrue

+%     \if@iclip \@iclipfalse \@icliptrue

+%     \if@jclip \@jclipfalse \@jcliptrue

+%     \iniflag

+%     \iniatom

+%     \aaa

+%     \bbb

+%     \ccc

+%     \ddd

+%     \eee

+%     \fff

+%     \ggg

+%     \hhh

+%     \iii

+%     \jjj

+% \end{verbatim}

+%

+% \begin{verbatim}

+%

+%  <Six-Membered Heterocycles>

+%    Setting inner double bonds

+%

+%     \bonda

+%     \bondb

+%     \bondc

+%     \bondd

+%     \bonde

+%     \bondf

+%     \bondhoriz

+%     \bondhorizi

+%

+%    Setting skeletal bonds

+%

+%     \skbonda

+%     \skbondf

+%     \skbondc

+%     \skbondd

+%     \skbondb

+%     \skbonde

+%     \skbondhoriz

+%     \skbondhorizi

+%

+%    Setting dotted skeletal bonds

+%

+%     \dotskbonda

+%     \dotskbondf

+%     \dotskbondc

+%     \dotskbondd

+%     \dotskbondb

+%     \dotskbonde

+%     \dotskbondhoriz

+%     \dotskbondhorizi

+%

+%    Basic Macros

+%

+%     \sixheterov               \@sixheterov

+%     \sixheterovi              \@sixheterovi

+%

+%    Application Macros

+%

+%     \pyridinev                \@pyridinev

+%     \pyridinevi               \@pyridinevi

+%     \pyrazinev                \@pyrazinev

+%     \pyrimidinev              \@pyrimidinev

+%     \pyrimidinevi             \@pyrimidinevi

+%     \pyridazinev              \@pyridazinev

+%     \pyridazinevi             \@pyridazinevi

+%     \triazinev                \@triazinev

+%     \triazinevi               \@triazinevi

+% \end{verbatim}

+%

+% \begin{verbatim}

+%

+%  <Five-Membered Heterocycles>

+%    Basic Macros

+%

+%     \fiveheterov              \@fiveheterov

+%     \fiveheterovi             \@fiveheterovi

+%

+%    Application Macros

+%

+%     \pyrrolev                 \@pyrrolev

+%     \pyrazolev                \@pyrazolev

+%     \imidazolev               \@imidazolev

+%     \isoxazolev               \@isoxazolev

+%     \oxazolev                 \@oxazolev

+%

+%     \furanv                   \@furanv

+%     \thiophenev               \@thiophenev

+%

+%     \pyrrolevi                \@pyrrolevi

+%     \pyrazolevi               \@pyrazolevi

+%     \imidazolevi              \@imidazolevi

+%     \isoxazolevi              \@isoxazolevi

+%     \oxazolevi                \@oxazolevi

+%

+%     \furanvi                   \@furanvi

+%     \thiophenevi               \@thiophenevi

+% \end{verbatim}

+%

+% \begin{verbatim}

+%

+%  <Six-Six-Fused Heterocycles>

+%    Basic Macros

+%

+%     \decaheterov              \@decaheterov

+%     \decaheterovi             \@decaheterovi

+%     \decaheterovb             \@decaheterovb

+%     \decaheterovt             \@decaheterovt

+%

+%   Adjustment Macros (for structures as substituents)

+%   \changes{v1.02}{1998/10/16}{Newly added command}

+%

+%     \clipdetection

+%     \ylhetposition

+%     \ylhetpositionb

+%     \ylhetpositiont

+%

+%    Application Macros

+%

+%     \quinolinev               \@quinolinev

+%     \quinolinevi              \@quinolinevi

+%     \quinolinevb              \@quinolinevb

+%     \quinolinevt              \@quinolinevt

+%

+%     \isoquinolinev            \@isoquinolinev

+%     \isoquinolinevi           \@isoquinolinevi

+%     \isoquinolinevb           \@isoquinolinevb

+%     \isoquinolinevt           \@isoquinolinevt

+%

+%     \quinoxalinev             \@quinoxalinev

+%     \quinoxalinevi            \@quinoxalinevi

+%     \quinoxalinevb            \@quinoxalinevb

+%     \quinoxalinevt            \@quinoxalinevt

+%

+%     \quinazolinev             \@quinazolinev

+%     \quinazolinevi            \@quinazolinevi

+%     \quinazolinevb            \@quinazolinevb

+%     \quinazolinevt            \@quinazolinevt

+%

+%     \cinnolinev               \@cinnolinev

+%     \cinnolinevi              \@cinnolinevi

+%     \cinnolinevb              \@cinnolinevb

+%     \cinnolinevt              \@cinnolinevt

+%

+%     \pteridinev               \@pteridinev

+%     \pteridinevi              \@pteridinevi

+%     \pteridinevb              \@pteridinevb

+%     \pteridinevt              \@pteridinevt

+% \end{verbatim}

+%

+% \begin{verbatim}

+%

+%  <Six-Five-Fused Heterocycles>

+%    Basic Macros

+%

+%     \nonaheterov              \@nonaheterov

+%     \nonaheterovi             \@nonaheterovi

+%

+%    Application Macros

+%

+%     \purinev                  \@purinev

+%     \purinevi                 \@purinevi

+%     \indolev                  \@indolev

+%     \indolevi                 \@indolevi

+%     \indolizinev              \@indolizinev

+%     \indolizinevi             \@indolizinevi

+%     \isoindolev               \@isoindolev

+%     \isoindolevi              \@isoindolevi

+%     \benzofuranev             \@benzofuranev

+%     \benzofuranevi            \@benzofuranevi

+%     \isobenzofuranev          \@isobenzofuranev

+%     \isobenzofuranevi         \@isobenzofuranevi

+%     \benzoxazolev             \@benzoxazolev

+%     \benzoxazolevi            \@benzoxazolevi

+% \end{verbatim}

+%

+% \begin{verbatim}

+%

+%  <Four-Membered Heterocycles>

+%    Setting bonds

+%     \bondshoriz               \bondshorizi

+%     \skbondshoriz             \skbondshorizi

+%

+%    Basic Macros

+%

+%     \fourhetero               \@fourhetero

+% \end{verbatim}

+%

+% \begin{verbatim}

+%

+%  <Four-Membered Heterocycles>

+%    Setting inner double bonds

+%

+%     \bondtria                 \bondtrib

+%     \skbondtria               \skbondtrib

+%     \Bondtria                 \Bondtrib

+%     \skBondtria               \skBondtrib

+%

+%    Basic Macros

+%

+%     \fourhetero               \@fourhetero

+%     \set@fusionadd@fourv       \set@fusion@fourv

+%

+%  <Three-Membered Heterocycles>

+%

+%     \threehetero              \@threehetero

+%     \threeheteroi             \@threeheteroi

+%

+%     \threeheterov              \@threeheterov

+%     \threeheterovi             \@threeheterovi

+%

+%     \set@fusionadd@threev        \set@fusion@threev

+%     \set@fusionadd@threevi        \set@fusion@threevi

+% \end{verbatim}

+%

+% \begin{verbatim}

+%

+%  <Building Units>

+%

+%     \sixunitv                 \@sixunitv

+%     \fiveunitv                \@fiveunitv

+%     \fiveunitvi               \@fiveunitvi

+% \end{verbatim}

+%

+% \section{Input of basic macros}

+%

+% To assure the compatibility to \LaTeX{}2.09 (the native mode), 

+% the commands added by \LaTeXe{} have not been used in the resulting sty 

+% files ({\sf hetarom.sty} for the present case).  Hence, the combination 

+% of |\input| and |\@ifundefined| is used to crossload sty 

+% files ({\sf chemstr.sty} for the present case) in place of the 

+% |\RequirePackage| command of \LaTeXe{}. 

+%

+%    \begin{macrocode}

+% *************************

+% * input of basic macros *

+% *************************

+\@ifundefined{setsixringv}{\input chemstr.sty\relax}{}%

+\unitlength=0.1pt%

+%    \end{macrocode}

+%

+% The following switches and macros have been moved to {\sf chemstr.sty}; 

+% hence, they are commented out. 

+%    \begin{macrocode}

+% % ****************************

+% % * various flags (switches) *

+% % ****************************

+% \newif\if@gclip \@gclipfalse%

+% \newif\if@hclip \@hclipfalse%

+% \newif\if@iclip \@iclipfalse%

+% \newif\if@jclip \@jclipfalse%

+% \def\iniflag{%

+% \@aclipfalse \@bclipfalse\@cclipfalse\@clipfalse\@eclipfalse%

+% \@fclipfalse\@gclipfalse\@hclipfalse\@iclipfalse\@jclipfalse%

+% \@clipfusefalse}%

+% \def\iniatom{%

+% \def\aaa{}\def\bbb{}\def\ccc{}\def\ddd{}\def\eee{}\def\fff{}%

+% \def\ggg{}\def\hhh{}\def\iii{}\def\jjj{}%

+% \def\@aaa{}\def\@bbb{}\def\@ccc{}\def\@ddd{}\def\@eee{}\def\@fff{}%

+% }%

+% \def\resetbdsw{\gdef\@aaa{a}\gdef\@bbb{b}\gdef\@ccc{c}%

+% \gdef\@ddd{d}\gdef\@eee{e}\gdef\@fff{f}}%

+%    \end{macrocode}

+%

+% \section{Initialization}

+%

+%    \begin{macrocode}

+\iniatom%

+%    \end{macrocode}

+%

+% \section{Macros for setting bonds}

+% \subsection{Inner double bonds}

+% 

+% The macros |\sixhetero| and |\fivehetero| use internal macros for setting 

+% inner double bonds in accordance with the presence or the absence of 

+% hetero atoms.  During the processes of such setting,  

+% the inner macros |\bonda| to |\bondf| are used to set a bond 

+% on each edge of a six- or five-membered ring; and 

+% the inner macros |\bondz| to |\bondzi| draw horizontal bonds 

+% of a five-membered ring. 

+% 

+% Note that 

+% comments (conerning locant numbers) on the end of each row have 

+% lost the exact meaning, 

+% since such a command moiety is used in many macros after copying. 

+%

+% \begin{verbatim}

+% ******************************

+% * setting inner double bonds *

+% ******************************

+% The following numbering is adopted in these macros. 

+%                   aaa

+%                    1

+%                  f * a

+%           fff 6  *   *  2 bbb

+%             e   |     |   b

+%                 |     |

+%           eee 5  *   *  3 ccc

+%                 d  *  c

+%                    4 <===== the original point

+%                   ddd

+% \end{verbatim}

+%

+% \begin{macro}{\bonda}

+% The macro |\bonda| refers to the control sequences representing 

+% atoms on both of the terminal vertices (|\aaa| and |\bbb|) and 

+% examine whether these are empty or not.  Thereby, 

+% it decides the vertices to be truncated. 

+%

+%    \begin{macrocode}

+% bond between 1 and 2

+\def\bonda{%

+  \ifx\aaa\empty%

+   \ifx\bbb\empty%

+    \put(6,364){\line(5,-3){126}}%         %double bond 1-2

+   \else%

+    \put(6,364){\line(5,-3){100}}%         %double bond 1-2

+   \fi%

+  \else%

+   \ifx\bbb\empty%

+    \put(35,340){\line(5,-3){100}}%        %double bond 1-2

+   \else%

+    \put(35,352){\line(5,-3){100}}%        %double bond 1-2

+   \fi%                                    % line <1OO not available

+  \fi%

+ }%

+%    \end{macrocode}

+% \end{macro}

+%

+% \begin{macro}{\bondb}

+% The macro |\bondb| refers to the control sequences representing 

+% atoms on both of the terminal vertices (|\bbb| and |\ccc|) and 

+% examine whether these are empty or not.  Thereby, 

+% it decides the vertices to be truncated. 

+%

+%    \begin{macrocode}

+% bond between 3 and 2

+ \def\bondb{%

+  \ifx\bbb\empty%

+   \ifx\ccc\empty%

+    \put(138,129){\line(0,1){148}}%        %double bond 3-2

+   \else%

+    \put(138,143){\line(0,1){134}}%        %double bond 3-2

+   \fi%

+  \else%

+   \ifx\ccc\empty%

+    \put(138,129){\line(0,1){134}}%        %double bond 3-2

+   \else%

+    \put(138,143){\line(0,1){110}}%        %double bond 3-2

+   \fi%

+  \fi%

+}%

+%    \end{macrocode}

+% \end{macro}

+%

+% \begin{macro}{\bondc}

+% The macro |\bondc| refers to the control sequences representing 

+% atoms on both of the terminal vertices (|\ddd| and |\ccc|) and 

+% examine whether these are empty or not.  Thereby, 

+% it decides the vertices to be truncated. 

+%

+%    \begin{macrocode}

+% bond between 4 and 3

+ \def\bondc{%

+  \ifx\ddd\empty%

+   \ifx\ccc\empty%

+    \put(6,42){\line(5,3){126}}           %double bond 4-3

+   \else% 

+    \put(6,42){\line(5,3){100}}           %double bond 4-3

+   \fi%

+  \else%

+   \ifx\ccc\empty%

+    \put(35,66){\line(5,3){100}}%          %double bond 4-3

+   \else% 

+    \put(35,60){\line(5,3){100}}%          %double bond 4-3

+   \fi%                                    % line <1OO not available

+  \fi%

+}%

+%    \end{macrocode}

+% \end{macro}

+%

+% \begin{macro}{\bondd}

+% The macro |\bondd| refers to the control sequences representing 

+% atoms on both of the terminal vertices (|\ddd| and |\eee|) and 

+% examine whether these are empty or not.  Thereby, 

+% it decides the vertices to be truncated. 

+%

+%    \begin{macrocode}

+% bond between 4 and 5

+ \def\bondd{%

+  \ifx\ddd\empty%

+   \ifx\eee\empty%

+    \put(-6,42){\line(-5,3){126}}%         %double bond 4-5

+   \else% 

+    \put(-6,42){\line(-5,3){100}}%         %double bond 4-5

+   \fi%

+  \else%

+   \ifx\eee\empty%

+    \put(-35,66){\line(-5,3){100}}%        %double bond 4-5

+   \else% 

+    \put(-35,60){\line(-5,3){100}}%        %double bond 4-5

+   \fi%                                    % line <1OO not available

+  \fi%

+ }%

+%    \end{macrocode}

+% \end{macro}

+%

+% \begin{macro}{\bonde}

+% The macro |\bonde| refers to the control sequences representing 

+% atoms on both of the terminal vertices (|\fff| and |\eee|) and 

+% examine whether these are empty or not.  Thereby, 

+% it decides the vertices to be truncated. 

+%

+%    \begin{macrocode}

+% bond between 5 and 6

+\def\bonde{%

+  \ifx\fff\empty%

+   \ifx\eee\empty%

+    \put(-138,129){\line(0,1){148}}%       %double bond 5-6

+   \else%

+    \put(-138,143){\line(0,1){134}}%       %double bond 5-6

+   \fi%

+  \else%

+   \ifx\eee\empty%

+    \put(-138,129){\line(0,1){134}}%       %double bond 5-6

+   \else%

+    \put(-138,143){\line(0,1){110}}%       %double bond 5-6

+   \fi%

+  \fi%

+}%

+%    \end{macrocode}

+% \end{macro}

+%

+% \begin{macro}{\bondf}

+% The macro |\bondf| refers to the control sequences representing 

+% atoms on both of the terminal vertices (|\aaa| and |\fff|) and 

+% examine whether these are empty or not.  Thereby, 

+% it decides the vertices to be truncated. 

+%

+%    \begin{macrocode}

+% bond between 1 and 6

+\def\bondf{%

+  \ifx\aaa\empty%

+   \ifx\fff\empty%

+    \put(-6,364){\line(-5,-3){126}}%        %double bond 1-6

+   \else%

+    \put(-6,364){\line(-5,-3){100}}%        %double bond 1-6

+   \fi%

+  \else%

+   \ifx\fff\empty%

+    \put(-35,340){\line(-5,-3){100}}%       %double bond 1-6

+   \else%

+    \put(-35,352){\line(-5,-3){100}}%       %double bond 1-6

+   \fi%                                     % line <1OO not available

+  \fi%

+}%

+%    \end{macrocode}

+% \end{macro}

+%

+% \begin{macro}{\bondz}

+% The macro |\bondz| refers to the control sequences representing 

+% atoms on both of the terminal vertices (|\fff| and |\bbb|) and 

+% examine whether these are empty or not.  Thereby, 

+% it decides the vertices to be truncated. 

+%

+%    \begin{macrocode}

+% horizontal inner bond for five-membered rings

+\def\bondhoriz{%

+  \ifx\fff\empty%

+    \ifx\bbb\empty%

+     \put(-138,270){\line(1,0){277}}%      %double bond 4-3

+    \else%

+     \put(-138,270){\line(1,0){258}}%      %double bond 4-3

+    \fi%

+  \else%

+    \ifx\bbb\empty%

+     \put(-120,270){\line(1,0){258}}%      %double bond 4-3

+    \else%

+     \put(-120,270){\line(1,0){239}}%      %double bond 4-3

+    \fi%

+  \fi}%

+%    \end{macrocode}

+% \end{macro}

+%

+% \begin{macro}{\bondzi}

+% The macro |\bondzi| refers to the control sequences representing 

+% atoms on both of the terminal vertices (|\eee| and |\ccc|) and 

+% examine whether these are empty or not.  Thereby, 

+% it decides the vertices to be truncated. 

+%

+%    \begin{macrocode}

+% horizontal inner bond for five-membered rings (inverse type) 

+\def\bondhorizi{%

+  \ifx\eee\empty%

+    \ifx\ccc\empty%

+     \put(-138,136){\line(1,0){277}}%      %double bond 4-3

+    \else%

+     \put(-138,136){\line(1,0){258}}%      %double bond 4-3

+    \fi%

+  \else%

+    \ifx\ccc\empty%

+     \put(-120,136){\line(1,0){258}}%      %double bond 4-3

+    \else%

+     \put(-120,136){\line(1,0){239}}%      %double bond 4-3

+    \fi%

+  \fi}%

+%    \end{macrocode}

+% \end{macro}

+%

+% \subsection{Skeletal bonds}

+% 

+% The macros |\sixhetero| and |\fivehetero| use inner macros for setting 

+% skeletal bonds in accordance with the presence or the absence of 

+% hetero atoms.  During the processes of such setting,  

+% the inner macros |\skbonda| to |\skbondf| are used to set a bond 

+% on each edge of a six- or five-membered ring; and 

+% the inner macros |\skbondz| to |\skbondzi| draw horizontal bonds 

+% of a five-membered ring. 

+%

+% \begin{verbatim}

+% **************************

+% * setting skeletal bonds *

+% **************************

+% The following numbering is adopted in this macro. 

+%                   aaa

+%                    1

+%                  f * a

+%           fff 6  *   *  2 bbb

+%             e   |     |   b

+%                 |     |

+%           eee 5  *   *  3 ccc

+%                 d  *  c

+%                    4 <===== the original point

+%                   ddd

+% 

+% \end{verbatim}

+%

+% \begin{macro}{\skbonda}

+% The macro |\skbonda| refers to the control sequences representing 

+% atoms on both of the terminal vertices (|\aaa| and |\bbb|) and 

+% examine whether these are empty or not.  Thereby, 

+% it decides the vertices to be truncated. 

+%

+%    \begin{macrocode}

+%bond between 1 and 2

+\def\skbonda{%

+  \ifx\aaa\empty%

+    \ifx\bbb\empty%

+     \put(0,406){\line(5,-3){171}}%        %bond 1-2

+    \else%

+     \put(0,406){\line(5,-3){136}}%        %bond 1-2

+    \fi%

+   \else%

+    \ifx\bbb\empty%

+     \put(35,385){\line(5,-3){136}}%       %bond 1-2

+    \else%

+     \put(35,385){\line(5,-3){100}}%       %bond 1-2

+    \fi%

+   \fi}%

+%    \end{macrocode}

+% \end{macro}

+%

+% \begin{macro}{\skbondf}

+% The macro |\skbonda| refers to the control sequences representing 

+% atoms on both of the terminal vertices (|\aaa| and |\fff|) and 

+% examine whether these are empty or not.  Thereby, 

+% it decides the vertices to be truncated. 

+%

+%    \begin{macrocode}

+%bond between 1 and 6

+\def\skbondf{%

+  \ifx\aaa\empty%

+    \ifx\fff\empty%

+     \put(0,406){\line(-5,-3){171}}%       %bond 1-6

+    \else%

+     \put(0,406){\line(-5,-3){136}}%       %bond 1-6

+    \fi%

+   \else%

+    \ifx\fff\empty%

+     \put(-35,385){\line(-5,-3){136}}%     %bond 1-6

+    \else%

+     \put(-35,385){\line(-5,-3){100}}%     %bond 1-6

+    \fi%

+   \fi}%

+%    \end{macrocode}

+% \end{macro}

+%

+% \begin{macro}{\skbondc}

+% The macro |\skbondc| refers to the control sequences representing 

+% atoms on both of the terminal vertices (|\ccc| and |\ddd|) and 

+% examine whether these are empty or not.  Thereby, 

+% it decides the vertices to be truncated. 

+%

+%    \begin{macrocode}

+%bond between 4 and 3

+\def\skbondc{%

+  \ifx\ddd\empty%

+    \ifx\ccc\empty%

+     \put(0,0){\line(5,3){171}}%           %bond 4-3

+    \else%

+     \put(0,0){\line(5,3){136}}%           %bond 4-3

+    \fi%

+  \else%

+    \ifx\ccc\empty%

+     \put(35,21){\line(5,3){138}}%         %bond 4-3

+    \else%

+     \put(35,21){\line(5,3){100}}%         %bond 4-3

+    \fi%

+  \fi}%

+%    \end{macrocode}

+% \end{macro}

+%

+% \begin{macro}{\skbondd}

+% The macro |\skbondd| refers to the control sequences representing 

+% atoms on both of the terminal vertices (|\ddd| and |\eee|) and 

+% examine whether these are empty or not.  Thereby, 

+% it decides the vertices to be truncated. 

+%

+%    \begin{macrocode}

+%bond between 4 and 5

+\def\skbondd{%

+  \ifx\ddd\empty%

+    \ifx\eee\empty%

+     \put(0,0){\line(-5,3){171}}%          %bond 4-5

+    \else%

+     \put(0,0){\line(-5,3){136}}%          %bond 4-5

+    \fi%

+  \else%

+    \ifx\eee\empty%

+     \put(-35,21){\line(-5,3){138}}%       %bond 4-5

+    \else%

+     \put(-35,21){\line(-5,3){100}}%        %bond 4-5

+    \fi%

+  \fi}%

+%    \end{macrocode}

+% \end{macro}

+%

+% \begin{macro}{\skbondb}

+% The macro |\skbondb| refers to the control sequences representing 

+% atoms on both of the terminal vertices (|\bbb| and |\ccc|) and 

+% examine whether these are empty or not.  Thereby, 

+% it decides the vertices to be truncated. 

+%

+%    \begin{macrocode}

+%bond between 3 and 2

+\def\skbondb{%

+  \ifx\bbb\empty%%

+    \ifx\ccc\empty%%

+     \put(171,103){\line(0,1){200}}%       %bond 3-2

+    \else%

+     \put(171,143){\line(0,1){160}}%       %bond 3-2

+    \fi%

+  \else%

+    \ifx\ccc\empty%%

+     \put(171,103){\line(0,1){150}}%       %bond 3-2

+    \else%

+     \put(171,143){\line(0,1){110}}%       %bond 3-2

+    \fi%

+  \fi}%

+%    \end{macrocode}

+% \end{macro}

+%

+% \begin{macro}{\skbonde}

+% The macro |\skbonde| refers to the control sequences representing 

+% atoms on both of the terminal vertices (|\eee| and |\fff|) and 

+% examine whether these are empty or not.  Thereby, 

+% it decides the vertices to be truncated. 

+%

+%    \begin{macrocode}

+%bond between 5 and 6

+\def\skbonde{%

+  \ifx\eee\empty%

+    \ifx\fff\empty%

+     \put(-171,103){\line(0,1){200}}%       %bond 5-6

+    \else%

+     \put(-171,103){\line(0,1){150}}%       %bond 5-6

+    \fi%

+  \else%

+    \ifx\fff\empty%

+     \put(-171,143){\line(0,1){160}}%       %bond 5-6

+    \else%

+     \put(-171,143){\line(0,1){110}}%       %bond 5-6

+    \fi%

+  \fi}%

+%    \end{macrocode}

+% \end{macro}

+%

+% \begin{macro}{\skbondhoriz}

+% The macro |\skbondhoriz| refers to the control sequences representing 

+% atoms on both of the terminal vertices (|\fff| and |\bbb|) and 

+% examine whether these are empty or not.  Thereby, 

+% it decides the vertices to be truncated. 

+%

+%    \begin{macrocode}

+%horizontal bond for five-membered rings

+\def\skbondhoriz{%

+  \ifx\fff\empty%

+    \ifx\bbb\empty%

+     \put(-171,303){\line(1,0){342}}%      %bond 4-3

+    \else%

+     \put(-171,303){\line(1,0){300}}%      %bond 4-3

+    \fi%

+  \else%

+    \ifx\bbb\empty%

+     \put(171,303){\line(-1,0){300}}%      %bond 4-3

+    \else%

+     \put(-129,303){\line(1,0){258}}%      %bond 4-3

+    \fi%

+  \fi}%

+%    \end{macrocode}

+% \end{macro}

+%

+% \begin{macro}{\skbondhorizi}

+% The macro |\skbondhorizi| refers to the control sequences representing 

+% atoms on both of the terminal vertices (|\eee| and |\ccc|) and 

+% examine whether these are empty or not.  Thereby, 

+% it decides the vertices to be truncated. 

+%

+%    \begin{macrocode}

+%horizontal bond for five-membered rings (inverse type)

+\def\skbondhorizi{%

+  \ifx\eee\empty%

+    \ifx\ccc\empty%

+     \put(-171,103){\line(1,0){342}}%      %bond 4-3

+    \else%

+     \put(-171,103){\line(1,0){300}}%      %bond 4-3

+    \fi%

+  \else%

+    \ifx\ccc\empty%

+     \put(171,103){\line(-1,0){300}}%      %bond 4-3

+    \else%

+     \put(-129,103){\line(1,0){258}}%      %bond 4-3

+    \fi%

+  \fi}%

+%    \end{macrocode}

+% \end{macro}

+%

+% \begin{macro}{\set@outskel@sixv}

+% The macro |\set@outskel@sixv| is to typeset a series of 

+% outer-skeleton bonds to six rings. It is 

+% used in |\sixheterov| and |\sixheterovi|. 

+%

+%    \begin{macrocode}

+\def\set@outskel@sixv{%

+ \skbonda% bond between 1 and 2

+ \skbondf% bond between 1 and 6

+ \skbondc% bond between 4 and 3

+ \skbondd% bond between 4 and 5

+ \skbondb% bond between 3 and 2

+ \skbonde% bond between 5 and 6

+}

+%    \end{macrocode}

+% \end{macro}

+%

+% \subsection{Dotted Skeletal Bonds}

+% 

+% The macros |\sixfusev| etc. use inner macros for setting 

+% skeletal bonds in accordance with the presence or the absence of 

+% hetero atoms.  During the processes of such setting,  

+% the inner macros |\dotskbonda| to |\dotskbondf| are used 

+% to set a dotted bond on each edge of a six- or five-membered ring.  

+%

+% \begin{macro}{\dotskbonda}

+% The macro |\dotskbonda| is the dotted couterpart of |\skbonda|, 

+% which refers to the control sequences representing 

+% atoms on both of the terminal vertices (|\aaa| and |\bbb|) and 

+% examine whether these are empty or not.  Thereby, 

+% it decides the vertices to be truncated. 

+%

+%    \begin{macrocode}

+%bond between 1 and 2

+\def\dotskbonda{%

+  \ifx\aaa\empty%

+    \ifx\bbb\empty%

+       \@ifundefined{dottedline}{%

+         \put(0,406){\line(5,-3){171}}%        %bond 1-2

+           }{{\thicklines%

+              \dottedline{20}(0,406)(171,303)}}%

+    \else%

+       \@ifundefined{dottedline}{%

+         \put(0,406){\line(5,-3){136}}%        %bond 1-2

+           }{{\thicklines%

+              \dottedline{20}(0,406)(136,324)}}%

+    \fi%

+   \else%

+    \ifx\bbb\empty%

+       \@ifundefined{dottedline}{%

+        \put(35,385){\line(5,-3){136}}%       %bond 1-2

+           }{{\thicklines%

+              \dottedline{20}(35,386)(171,303)}}%

+    \else%

+       \@ifundefined{dottedline}{%

+       \put(35,385){\line(5,-3){100}}%       %bond 1-2

+           }{{\thicklines%

+              \dottedline{20}(35,386)(136,324)}}%

+    \fi%

+   \fi}%

+%    \end{macrocode}

+% \end{macro}

+%

+% \begin{macro}{\dotskbondb}

+% The macro |\dotskbondb| is the dotted couterpart of |\skbondb|, 

+% which refers to the control sequences representing 

+% atoms on both of the terminal vertices (|\bbb| and |\ccc|) and 

+% examine whether these are empty or not.  Thereby, 

+% it decides the vertices to be truncated. 

+%

+%    \begin{macrocode}

+%bond between 3 and 2

+\def\dotskbondb{%

+  \ifx\bbb\empty%%

+    \ifx\ccc\empty%%

+       \@ifundefined{dottedline}{%

+         \put(171,103){\line(0,1){200}}%       %bond 3-2

+           }{{\thicklines%

+              \dottedline{20}(171,103)(171,303)}}%

+    \else%

+       \@ifundefined{dottedline}{%

+        \put(171,143){\line(0,1){160}}%       %bond 3-2

+           }{{\thicklines%

+              \dottedline{20}(171,143)(171,303)}}%

+    \fi%

+  \else%

+    \ifx\ccc\empty%%

+       \@ifundefined{dottedline}{%

+        \put(171,103){\line(0,1){150}}%       %bond 3-2

+           }{{\thicklines%

+              \dottedline{20}(171,103)(171,253)}}%

+    \else%

+       \@ifundefined{dottedline}{%

+        \put(171,143){\line(0,1){110}}%       %bond 3-2

+           }{{\thicklines%

+              \dottedline{20}(171,143)(171,253)}}%

+    \fi%

+  \fi}%

+%    \end{macrocode}

+% \end{macro}

+%

+% \begin{macro}{\dotskbondc}

+% The macro |\dotskbondc| is the dotted couterpart of |\skbondc|, 

+% which refers to the control sequences representing 

+% atoms on both of the terminal vertices (|\ccc| and |\ddd|) and 

+% examine whether these are empty or not.  Thereby, 

+% it decides the vertices to be truncated. 

+%

+%    \begin{macrocode}

+%bond between 4 and 3

+\def\dotskbondc{%

+  \ifx\ddd\empty%

+    \ifx\ccc\empty%%

+       \@ifundefined{dottedline}{%

+         \put(0,0){\line(5,3){171}}%           %bond 4-3

+           }{{\thicklines%

+              \dottedline{20}(0,0)(171,103)}}%

+    \else%

+       \@ifundefined{dottedline}{%

+         \put(0,0){\line(5,3){136}}%           %bond 4-3

+           }{{\thicklines%

+              \dottedline{20}(0,0)(136,81)}}%

+    \fi%

+  \else%

+    \ifx\ccc\empty%

+       \@ifundefined{dottedline}{%

+         \put(35,21){\line(5,3){138}}%         %bond 4-3

+           }{{\thicklines%

+              \dottedline{20}(35,21)(171,103)}}%

+    \else%

+       \@ifundefined{dottedline}{%

+         \put(35,21){\line(5,3){100}}%         %bond 4-3

+           }{{\thicklines%

+              \dottedline{20}(35,21)(136,81)}}%

+    \fi%

+  \fi}%

+%    \end{macrocode}

+% \end{macro}

+%

+% \begin{macro}{\dotskbondd}

+% The macro |\dotskbondd| is the dotted couterpart of |\skbondd|, 

+% which refers to the control sequences representing 

+% atoms on both of the terminal vertices (|\ddd| and |\eee|) and 

+% examine whether these are empty or not.  Thereby, 

+% it decides the vertices to be truncated. 

+%

+%    \begin{macrocode}

+%bond between 4 and 5

+\def\dotskbondd{%

+  \ifx\ddd\empty%

+    \ifx\eee\empty%

+       \@ifundefined{dottedline}{%

+         \put(0,0){\line(-5,3){171}}%          %bond 4-5

+           }{{\thicklines%

+              \dottedline{20}(0,0)(-171,103)}}%

+    \else%

+       \@ifundefined{dottedline}{%

+         \put(0,0){\line(-5,3){136}}%          %bond 4-5

+           }{{\thicklines%

+              \dottedline{20}(0,0)(-136,81)}}%

+    \fi%

+  \else%

+    \ifx\eee\empty%

+       \@ifundefined{dottedline}{%

+         \put(-35,21){\line(-5,3){138}}%       %bond 4-5

+           }{{\thicklines%

+              \dottedline{20}(-35,21)(-171,103)}}%

+    \else%

+       \@ifundefined{dottedline}{%

+         \put(-35,21){\line(-5,3){100}}%        %bond 4-5

+           }{{\thicklines%

+              \dottedline{20}(-35,21)(-136,81)}}%

+    \fi%

+  \fi}%

+%    \end{macrocode}

+% \end{macro}

+%

+% \begin{macro}{\dotskbonde}

+% The macro |\dotskbonde| is the dotted couterpart of |\skbonde|, 

+% which refers to the control sequences representing 

+% atoms on both of the terminal vertices (|\eee| and |\fff|) and 

+% examine whether these are empty or not.  Thereby, 

+% it decides the vertices to be truncated. 

+%

+%    \begin{macrocode}

+%bond between 5 and 6

+\def\dotskbonde{%

+  \ifx\eee\empty%

+    \ifx\fff\empty%

+       \@ifundefined{dottedline}{%

+         \put(-171,103){\line(0,1){200}}%       %bond 5-6

+           }{{\thicklines%

+              \dottedline{20}(-171,103)(-171,303)}}%

+    \else%

+       \@ifundefined{dottedline}{%

+       \put(-171,103){\line(0,1){150}}%       %bond 5-6

+           }{{\thicklines%

+              \dottedline{20}(-171,103)(-171,253)}}%

+    \fi%

+  \else%

+    \ifx\fff\empty%

+       \@ifundefined{dottedline}{%

+       \put(-171,143){\line(0,1){160}}%       %bond 5-6

+           }{{\thicklines%

+              \dottedline{20}(-171,143)(-171,303)}}%

+    \else%

+       \@ifundefined{dottedline}{%

+       \put(-171,143){\line(0,1){110}}%       %bond 5-6

+           }{{\thicklines%

+              \dottedline{20}(-171,143)(-171,253)}}%

+    \fi%

+  \fi}%

+%    \end{macrocode}

+% \end{macro}

+%

+% \begin{macro}{\dotskbondf}

+% The macro |\dotskbondf| is the dotted couterpart of |\skbondf|, 

+% which refers to the control sequences representing 

+% atoms on both of the terminal vertices (|\aaa| and |\fff|) and 

+% examine whether these are empty or not.  Thereby, 

+% it decides the vertices to be truncated. 

+%

+%    \begin{macrocode}

+%bond between 1 and 6

+\def\dotskbondf{%

+  \ifx\aaa\empty%

+    \ifx\fff\empty%

+       \@ifundefined{dottedline}{%

+        \put(0,406){\line(-5,-3){171}}%       %bond 1-6

+           }{{\thicklines%

+              \dottedline{20}(0,406)(-171,303)}}%

+    \else%

+       \@ifundefined{dottedline}{%

+        \put(0,406){\line(-5,-3){136}}%       %bond 1-6

+           }{{\thicklines%

+              \dottedline{20}(0,406)(-136,325)}}%

+    \fi%

+   \else%

+    \ifx\fff\empty%

+       \@ifundefined{dottedline}{%

+        \put(-35,385){\line(-5,-3){136}}%     %bond 1-6

+           }{{\thicklines%

+              \dottedline{20}(-35,385)(-171,303)}}%

+    \else%

+       \@ifundefined{dottedline}{%

+        \put(-35,385){\line(-5,-3){100}}%     %bond 1-6

+           }{{\thicklines%

+              \dottedline{20}(-35,385)(-136,325)}}%

+    \fi%

+   \fi}%

+%    \end{macrocode}

+% \end{macro}

+%

+% \begin{macro}{\dotskbondhoriz}

+% The macro |\dotskbondhoriz| is the dotted couterpart of |\skbondhoriz|, 

+% which refers to the control sequences representing 

+% atoms on both of the terminal vertices (|\fff| and |\bbb|) and 

+% examine whether these are empty or not.  Thereby, 

+% it decides the vertices to be truncated. 

+%

+%    \begin{macrocode}

+%horizontal bond for five-membered rings

+\def\dotskbondhoriz{%

+  \ifx\fff\empty%

+    \ifx\bbb\empty%

+       \@ifundefined{dottedline}{%

+        \put(-171,303){\line(1,0){342}}%      %bond 4-3

+           }{{\thicklines%

+              \dottedline{20}(-171,303)(171,303)}}%

+    \else%

+       \@ifundefined{dottedline}{%

+        \put(-171,303){\line(1,0){300}}%      %bond 4-3

+           }{{\thicklines%

+              \dottedline{20}(-171,303)(129,303)}}%

+    \fi%

+  \else%

+    \ifx\bbb\empty%

+       \@ifundefined{dottedline}{%

+        \put(171,303){\line(-1,0){300}}%      %bond 4-3

+           }{{\thicklines%

+              \dottedline{20}(171,303)(-129,303)}}%

+    \else%

+       \@ifundefined{dottedline}{%

+        \put(-129,303){\line(1,0){258}}%      %bond 4-3

+           }{{\thicklines%

+              \dottedline{20}(-129,303)(129,303)}}%

+    \fi%

+  \fi}%

+%    \end{macrocode}

+% \end{macro}

+%

+% \begin{macro}{\dotskbondhorizi}

+% The macro |\dotskbondhorizi| refers to the control sequences representing 

+% atoms on both of the terminal vertices (|\eee| and |\ccc|) and 

+% examine whether these are empty or not.  Thereby, 

+% it decides the vertices to be truncated. 

+%

+%    \begin{macrocode}

+%horizontal bond for five-membered rings (inverse type)

+\def\dotskbondhorizi{%

+  \ifx\eee\empty%

+    \ifx\ccc\empty%

+       \@ifundefined{dottedline}{%

+        \put(-171,103){\line(1,0){342}}%      %bond 4-3

+           }{{\thicklines%

+              \dottedline{20}(-171,103)(171,103)}}%

+    \else%

+       \@ifundefined{dottedline}{%

+        \put(-171,103){\line(1,0){300}}%      %bond 4-3

+           }{{\thicklines%

+              \dottedline{20}(-171,103)(129,103)}}%

+    \fi%

+  \else%

+    \ifx\ccc\empty%

+       \@ifundefined{dottedline}{%

+        \put(171,103){\line(-1,0){300}}%      %bond 4-3

+           }{{\thicklines%

+              \dottedline{20}(171,103)(-129,103)}}%

+    \else%

+       \@ifundefined{dottedline}{%

+        \put(-129,103){\line(1,0){258}}%      %bond 4-3

+           }{{\thicklines%

+              \dottedline{20}(-129,103)(129,103)}}%

+    \fi%

+  \fi}%

+%    \end{macrocode}

+% \end{macro}

+%

+% The macro |\set@skel@bond| is used in such commands as |\sixheterov| 

+% and |\sixfusev| for setting skeletal bonds (outer bonds), 

+% when |\@aaa| etc. (produced by |\csname|...|\endcsname|) are equal 

+% to `a' etc. (given as \#2).  Thinline, thickline and dotted-line 

+% skeletal bonds are available. 

+%

+% \begin{macro}{\if@skbondlist}

+%    \begin{macrocode}

+\newif\if@skbondlist

+\@skbondlistfalse

+%    \end{macrocode}

+% \end{macro}% from fusering.sty to hetarom.sty

+%

+% \begin{macro}{\set@skel@bond}

+%    \begin{macrocode}

+\def\set@skel@bond#1#2#3{%

+ \expandafter\if\csname @#2#2#2\endcsname #2\relax%OK

+                               % \if\@aaa #2\relax%OK

+  \@skbondlistfalse

+  \@tfor\member:=#1\do{%

+   \expandafter\twoCH@@R\member//%

+    \if\@@tmpa #2\relax%

+      \if\@@tmpb A\relax%

+        \expandafter\csname dotskbond#3\endcsname% \dotskbonda etc.

+        \@skbondlisttrue

+      \else\if\@@tmpb B\relax%

+        {\thicklines

+        \expandafter\csname skbond#3\endcsname% \skbonda etc.

+        }%

+        \@skbondlisttrue

+      \fi\fi

+     \fi%

+    }%

+   \if@skbondlist\else

+     {\thinlines 

+        \expandafter\csname skbond#3\endcsname% \skbonda etc.

+     }%

+   \fi%

+  \else

+    \expandafter\ifx\csname @#2#2#2\endcsname \empty\relax%

+                                %    \ifx\@aaa\empty\relax

+    \@tfor\member:=#1\do{%

+     \expandafter\twoCH@@R\member//%

+      \if\@@tmpa #2\relax%

+       \XyMTeXWarning{Unavailable bond `#2' in SKBONDLIST}\fi

+    }%

+  \fi\fi

+}% end of \set@skel@bond

+%    \end{macrocode}

+% \end{macro}

+%

+% The macro |\set@skel@longbond| is used in |\fivefusev| etc. 

+% for setting skeletal bonds (outer bonds), when |\@aaa| etc. 

+% (produced by |\csname|...|\endcsname|) are equal to `a' 

+% etc. (given as \#2).  Thinline, thickline and dotted-line 

+% skeletal bonds are available. 

+%

+% \begin{macro}{\set@skel@longbond}

+%    \begin{macrocode}

+\def\set@skel@longbond#1#2#3{%

+ \expandafter\if\csname @#2#2#2\endcsname #2\relax%OK

+                               % \if\@aaa #2\relax%OK

+  \@skbondlistfalse

+  \@tfor\member:=#1\do{%

+   \expandafter\twoCH@@R\member//%

+    \if\@@tmpa #2\relax%

+      \if\@@tmpb A\relax%

+        \expandafter\csname dot#3\endcsname% \dotskbonda etc.

+        \@skbondlisttrue

+      \else\if\@@tmpb B\relax%

+        {\thicklines

+        \expandafter\csname #3\endcsname% \skbonda etc.

+        }%

+        \@skbondlisttrue

+      \fi\fi

+     \fi%

+    }%

+   \if@skbondlist\else

+     {\thinlines

+        \expandafter\csname #3\endcsname% \skbonda etc.

+     }%

+   \fi%

+  \else

+    \expandafter\ifx\csname @#2#2#2\endcsname \empty\relax%

+                                %    \ifx\@aaa\empty\relax

+    \@tfor\member:=#1\do{%

+     \expandafter\twoCH@@R\member//%

+      \if\@@tmpa #2\relax%

+       \XyMTeXWarning{Unavailable bond `#2' in SKBONDLIST}\fi

+    }%

+  \fi\fi

+}% end of \set@skel@longbond

+%    \end{macrocode}

+% \end{macro}

+%

+% The macro |\@bond@@omit| is used in |\sixheterov| etc. 

+% for detecting omitted bonds, where |\@aaa| etc. are empty if 

+% they are omitted. 

+%

+% \begin{macro}{\@bond@@omit}

+%    \begin{macrocode}

+\def\@bond@@omit#1{%

+\@tfor\memBer:=#1\do{%

+\if\memBer a\relax\gdef\@aaa{}\fi%

+\if\memBer A\relax\gdef\@aaa{}\fi%

+\if\memBer b\relax\gdef\@bbb{}\fi%

+\if\memBer B\relax\gdef\@bbb{}\fi%

+\if\memBer c\relax\gdef\@ccc{}\fi%

+\if\memBer C\relax\gdef\@ccc{}\fi%

+\if\memBer d\relax\gdef\@ddd{}\fi%

+\if\memBer D\relax\gdef\@ddd{}\fi%

+\if\memBer e\relax\gdef\@eee{}\fi%

+\if\memBer E\relax\gdef\@eee{}\fi%

+\if\memBer f\relax\gdef\@fff{}\fi%

+\if\memBer F\relax\gdef\@fff{}\fi%

+\if\memBer g\relax\gdef\@ggg{}\fi%

+\if\memBer G\relax\gdef\@ggg{}\fi%

+\if\memBer h\relax\gdef\@hhh{}\fi%

+\if\memBer H\relax\gdef\@hhh{}\fi%

+\if\memBer i\relax\gdef\@iii{}\fi%

+\if\memBer I\relax\gdef\@iii{}\fi%

+\if\memBer j\relax\gdef\@jjj{}\fi%

+\if\memBer J\relax\gdef\@jjj{}\fi%

+\if\memBer k\relax\gdef\@kkk{}\fi%

+\if\memBer K\relax\gdef\@kkk{}\fi%

+}}%

+%    \end{macrocode}

+% \end{macro}

+%

+% \section{Six-membered heterocyles}

+% \subsection{Vertical type}

+%

+% The standard skeleton of a six-membered heterocycle is selected 

+% to have the following locant numbers. 

+%

+% \begin{verbatim}

+% *************************

+% * sixhetero derivatives *

+% *  (vertical type)      *

+% *************************

+% The following numbering is adopted in this macro. 

+%

+%          1

+%          * 

+%     6  *   *  2

+%       |     |

+%       |     |

+%     5  *   *  3

+%          *

+%          4 <===== the original point

+% \end{verbatim}

+%

+% The macro |\sixheterov| has two arguments |ATOMLIST| and |SUBSLIST| 

+% as well as an optional argument |BONDLIST|.  

+% Two optional arguments |SKBONDLIST| and |OMIT| are added to 

+% treat stereochemical information or other bond situations. 

+%

+% \begin{verbatim}

+%   \sixheterov(SKBONDLIST)[BONDLIST]{ATOMLIST}{SUBSLIST}[OMIT]

+% \end{verbatim}

+%

+% The |SKBONDLIST| argument contains pairs of two alphabets in 

+% parentheses, e.g. (\{bA\}\{fB\}).  Each pair contains a lowercase 

+% character selected from bond specifiers `a' to `f' and a uppercase

+% character `A' or `B'. 

+%

+% The |BONDLIST| argument contains one 

+% character selected from a to f, each of which indicates the presence of 

+% an inner (endcyclic) double bond on the corresponding position. 

+% The option `A' represents an aromatic circle. The option 

+% `$n+$' ($n=1$ to $6$) represents a plus charge on a hetero atom 

+% at the $n$-position. 

+%

+% \begin{verbatim}

+%     BONDLIST = 

+%

+%           none or r  :  sixhetero (right-handed)

+%           l          :  sixhetero (left-handed)

+%           []         :  fully saturated form

+%           a          :  1,2-double bond

+%           b          :  2,3-double bond

+%           c          :  4,3-double bond

+%           d          :  4,5-double bond

+%           e          :  5,6-double bond

+%           f          :  6,1-double bond

+%           A          :  aromatic circle 

+%           {n+}       :  plus at the n-nitrogen atom (n = 1 to 6)

+% \end{verbatim}

+%

+% The |ATOMLIST| argument contains one or more heteroatom descriptors 

+% which are separated from each other by a semicolon.  Each heteroatom 

+% descriptor consists of a locant number and a heteroatom, 

+% where these are separated with a double equality symbol. 

+%

+% \begin{verbatim}

+%

+%     ATOMLIST: list of heteroatoms (max 6 atoms)

+%

+%       for n = 1 to 6

+%

+%           n          : Hetero atom, e.g. N, O, etc. at n-position, 

+%                        e.g. 1==N for N at 1-position

+% \end{verbatim}

+%

+% The |SUBSLIST| argument contains one or more substitution descriptors 

+% which are separated from each other by a semicolon.  Each substitution 

+% descriptor has a locant number with a bond modifier and a substituent, 

+% where these are separated with a double equality symbol. 

+% \begin{verbatim}

+%

+%     SUBSLIST: list of substituents

+%

+%       for n = 1 to 6 

+%

+%           nD         :  exocyclic double bond at n-atom

+%           n or nS    :  exocyclic single bond at n-atom

+%           nA         :  alpha single bond at n-atom

+%           nB         :  beta single bond at n-atom

+%           nSA        :  alpha single bond at n-atom (boldface)

+%           nSB        :  beta single bond at n-atom (dotted line)

+%           nSa        :  alpha (not specified) single bond at n-atom

+%           nSb        :  beta (not specified) single bond at n-atom

+%

+%           nSd        :  alpha single bond at n-atom (dotted line) 

+%                           with an alternative direction to nSA 

+%           nSu        :  beta single bond at n-atom (boldface) 

+%                           with an alternative direction to nSB 

+%           nFA        :  alpha single bond at n-atom (dotted line) 

+%                           for ring fusion 

+%           nFB        :  beta single bond at n-atom (boldface) 

+%                           for ring fusion 

+%           nGA        :  alpha single bond at n-atom (dotted line) 

+%                           for the other ring fusion 

+%           nGB        :  beta single bond at n-atom (boldface) 

+%                           for the other ring fusion 

+%

+% \end{verbatim}

+%

+% The argument |OMIT| represents one or more bonds to be omitted. 

+% The omitted edges may be regarded as both fused and non-fused 

+% positions. 

+%

+% \begin{verbatim}

+%     OMIT:  one or more bonds omitted (a, b, c, d, e, or f)

+% \end{verbatim}

+%

+% Several examples are shown as follows.

+% \begin{verbatim}

+%       e.g. 

+%        

+%        \sixheterov{1==N}{1==Cl;2==F}

+%        \sixheterov[c]{1==N}{1==Cl;4==F;2==CH$_{3}$}

+%        \sixheterov[eb]{1==N}{1D==O;4SA==MeO;4SB==OMe;5==Cl;6==Cl}

+% \end{verbatim}

+%

+% The definition of |\sixheterov| uses a picture environment and 

+% consists of the following unit processes: 

+% \begin{enumerate}

+% \item treatment of atom list, 

+% \item placing outer skeletons, 

+% \item placing inner double bonds, 

+% \item setting hetero atoms, and 

+% \item placing substituents by |\setsixringv|. 

+% \end{enumerate}

+%

+% \changes{v1.02}{1998/10/31}{Adding \cs{ylposition}, \cs{if@ylsw},

+% \cs{yl@shifti}, \cs{@ylii}, \cs{yl@shiftii}, \cs{@ylii}, 

+% \cs{yl@xdiff} and \cs{yl@ydiff}}

+% \changes{v2.00}{1998/11/15}{Adding \cs{test@vertix@sixv}}

+%

+% \begin{macro}{\sixheterov}

+% \begin{macro}{\@six@heterov}

+% \begin{macro}{\@six@@heterov}

+% \begin{macro}{\@sixheterov}

+%    \begin{macrocode}

+\def\sixheterov{\@ifnextchar({\@six@heterov(@}{\@six@heterov(@)}}

+\def\@six@heterov(#1){\@ifnextchar[{\@six@@heterov(#1)[@}%

+{\@six@@heterov(#1)[@]}}

+\def\@six@@heterov(#1)[#2]#3#4{\@ifnextchar[%

+{\@sixheterov(#1)[#2]{#3}{#4}[@}%

+{\@sixheterov(#1)[#2]{#3}{#4}[@]}}

+\def\@sixheterov(#1)[#2]#3#4[#5]{%

+%    \end{macrocode}

+%

+%    \begin{macrocode}

+% %%%%%%%%%%%%%%%%%%%%%%%%%%

+% % treatment of atom list %

+% %%%%%%%%%%%%%%%%%%%%%%%%%%

+\iniatom\iniflag%initialize

+\test@vertix@sixv{#3}{a}{b}{c}{d}{e}{f}%

+% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%

+% % adustment of subs positions %

+% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%

+\@reset@ylsw%

+\ylposition{#4}{0}{0}{7}{0}%

+\if@ylsw%

+\yl@shiftii=\@ylii

+\yl@shifti=\@yli

+\advance\yl@shiftii\yl@xdiff

+\advance\yl@shifti\yl@ydiff

+\begin{picture}(0,0)(-\yl@shiftii,-\yl@shifti)

+ \reset@yl@xydiff%1999/1/6 by S. Fujita

+\else

+\begin{picture}(800,880)(-\shiftii,-\shifti)

+  \iforigpt \put(-\shiftii,-\shifti){\circle*{50}}%

+           \put(-\noshift,-\noshift){\circle{50}}% 

+   \typeout{command `sixheterov' origin: %

+    (\the\noshift,\the\noshift) ---> (\the\shiftii,\the\shifti)}\fi%

+\fi

+%    \end{macrocode}

+%

+%    \begin{macrocode}

+% %%%%%%%%%%%%%%%%%%

+% % outer skeleton %

+% %%%%%%%%%%%%%%%%%%

+{%

+\resetbdsw%

+\@bond@@omit{#5}%

+\set@skel@bond{#1}{a}{a}% bond between 1 and 2 \@aaa -> \skbonda etc

+\set@skel@bond{#1}{b}{b}% bond between 2 and 3 \@bbb -> \skbondb etc

+\set@skel@bond{#1}{c}{c}% bond between 3 and 4 \@ccc -> \skbondc etc

+\set@skel@bond{#1}{d}{d}% bond between 4 and 5 \@ddd -> \skbondd etc

+\set@skel@bond{#1}{e}{e}% bond between 5 and 6 \@eee -> \skbonde etc

+\set@skel@bond{#1}{f}{f}% bond between 6 and 1 \@fff -> \skbondf etc

+}%

+%%%%%\set@outskel@sixv % replaced by above 1998/12/30

+% %%%%%%%%%%%%%%%%%%%%%

+% % inner double bond %

+% %%%%%%%%%%%%%%%%%%%%%

+\@tfor\member:=#2\do{%

+\if\member r\relax \bondd \bondf \bondb%

+\else\if\member l\relax \bonda \bondc \bonde%

+\else\if\member a\relax \bonda%

+\else\if\member b\relax \bondb%

+\else\if\member c\relax \bondc%

+\else\if\member d\relax \bondd%

+\else\if\member e\relax \bonde%

+\else\if\member f\relax \bondf%

+\else\if\member A%left aromatic circle 

+  \put(0,203){\circle{240}}%               %circle

+% %%%%%%%%%%%%%%%%%%%%%%%%%

+% % inner bond attachment %

+% %%%%%%%%%%%%%%%%%%%%%%%%%

+\else \expandafter\twoCH@@R\member//%

+    \set@fusionadd@sixv

+\fi\fi\fi\fi\fi\fi\fi\fi\fi%

+}%

+%    \end{macrocode}

+%

+%    \begin{macrocode}

+% %%%%%%%%%%%%%%%%%%%%%%%%

+% % setting hetero atoms %

+% %%%%%%%%%%%%%%%%%%%%%%%%

+\set@hetatom@sixv{#3}{0}{0}{7}{0}%    %atom 1--6%

+% %%%%%%%%%%%%%%%%%%%%%%%%

+% % setting substituents %

+% %%%%%%%%%%%%%%%%%%%%%%%%

+\setsixringv{#4}{0}{0}{7}{0}%    %subst 1--6

+\end{picture}\iniatom\iniflag}%     %end of \sixheterov macro

+%    \end{macrocode}

+% \end{macro}

+% \end{macro}

+% \end{macro}

+% \end{macro}

+%

+% \subsection{Inverse vertical type}

+%

+% The standard skeleton of a six-membered heterocycle of inverse type 

+% is selected to have the following locant numbers. 

+%

+% \begin{verbatim}

+% **********************************

+% * sixhetero derivatives          *

+% *  (vertical type, inverse type) *

+% **********************************

+% The following numbering is adopted in this macro. 

+%

+%          4

+%          * 

+%     5  *   *  3

+%       |     |

+%       |     |

+%     6  *   *  2

+%          *

+%          1 <===== the original point

+% \end{verbatim}

+%

+% The macro |\sixheterovi| has two arguments |ATOMLIST| and |SUBSLIST| 

+% as well as an optional argument |BONDLIST|.  

+% Two optional arguments |SKBONDLIST| and |OMIT| are added to 

+% treat stereochemical information or other bond situations. 

+%

+% \begin{verbatim}

+%   \sixheterovi(SKBONDLIST)[BONDLIST]{ATOMLIST}{SUBSLIST}[OMIT]

+% \end{verbatim}

+%

+% The |SKBONDLIST| argument contains pairs of two alphabets in 

+% parentheses, e.g. (\{bA\}\{fB\}).  Each pair contains a lowercase 

+% character selected from bond specifiers `a' to `f' and a uppercase

+% character `A' or `B'. 

+%

+% The |BONDLIST| argument contains one 

+% character selected from a to f, each of which indicates the presence of 

+% an inner (endcyclic) double bond on the corresponding position. 

+% The option `A' represents an aromatic circle. The option 

+% `$n+$' ($n=1$ to $6$) represents a plus charge on a hetero atom 

+% at the $n$-position. 

+%

+% \begin{verbatim}

+%

+%     BONDLIST = 

+%

+%           none or r  :  sixhetero (right-handed)

+%           l          :  sixhetero (left-handed)

+%           []         :  fully saturated form

+%           a          :  1,2-double bond

+%           b          :  2,3-double bond

+%           c          :  4,3-double bond

+%           d          :  4,5-double bond

+%           e          :  5,6-double bond

+%           f          :  6,1-double bond

+%           A          :  aromatic circle 

+%           {n+}       :  plus at the n-nitrogen atom (n = 1 to 6)

+% \end{verbatim}

+%

+% The |ATOMLIST| argument contains one or more heteroatom descriptors 

+% which are separated from each other by a semicolon.  Each heteroatom 

+% descriptor consists of a locant number and a heteroatom, 

+% where these are separated with a double equality symbol. 

+%

+% \begin{verbatim}

+%

+%     ATOMLIST: list of heteroatoms (max 6 atoms)

+%

+%       for n = 1 to 6

+%

+%           n          : Hetero atom, e.g. N, O, etc. at n-position, 

+%                        e.g. 1==N for N at 1-position

+% \end{verbatim}

+%

+% The |SUBSLIST| argument contains one or more substitution descriptors 

+% which are separated from each other by a semicolon.  Each substitution 

+% descriptor has a locant number with a bond modifier and a substituent, 

+% where these are separated with a double equality symbol. 

+% \begin{verbatim}

+%

+%     SUBSLIST: list of substituents

+%

+%       for n = 1 to 6 

+%

+%           nD         :  exocyclic double bond at n-atom

+%           n or nS    :  exocyclic single bond at n-atom

+%           nA         :  alpha single bond at n-atom

+%           nB         :  beta single bond at n-atom

+%           nSA        :  alpha single bond at n-atom (boldface)

+%           nSB        :  beta single bond at n-atom (dotted line)

+%           nSa        :  alpha (not specified) single bond at n-atom

+%           nSb        :  beta (not specified) single bond at n-atom

+%

+%           nSd        :  alpha single bond at n-atom (dotted line) 

+%                           with an alternative direction to nSA 

+%           nSu        :  beta single bond at n-atom (boldface) 

+%                           with an alternative direction to nSB 

+%           nFA        :  alpha single bond at n-atom (dotted line) 

+%                           for ring fusion 

+%           nFB        :  beta single bond at n-atom (boldface) 

+%                           for ring fusion 

+%           nGA        :  alpha single bond at n-atom (dotted line) 

+%                           for the other ring fusion 

+%           nGB        :  beta single bond at n-atom (boldface) 

+%                           for the other ring fusion 

+%

+% \end{verbatim}

+%

+% The argument |OMIT| represents one or more bonds to be omitted. 

+% The omitted edges may be regarded as both fused and non-fused 

+% positions. 

+%

+% \begin{verbatim}

+%     OMIT:  one or more bonds omitted (a, b, c, d, e, or f)

+% \end{verbatim}

+%

+% Several examples are shown as follows.

+% \begin{verbatim}

+%       e.g. 

+%        

+%        \sixheterovi{1==N}{1==Cl;2==F}

+%        \sixheterovi[c]{1==N}{1==Cl;4==F;2==CH$_{3}$}

+%        \sixheterovi[eb]{1==N}{1D==O;4SA==MeO;4SB==OMe;5==Cl;6==Cl}

+%

+% \end{verbatim}

+%

+% The definition of |\sixheterovi| uses a picture environment and 

+% consists of the same unit processes as shown in |\sixheterov|: 

+% \begin{enumerate}

+% \item treatment of atom list, 

+% \item placing outer skeletons, 

+% \item placing inner double bonds, 

+% \item setting hetero atoms, and 

+% \item placing substituents by |\setsixringv|. 

+% \end{enumerate}

+% \changes{v1.02}{1998/10/31}{Adding \cs{ylposition}, \cs{if@ylsw},

+% \cs{yl@shifti}, \cs{@ylii}, \cs{yl@shiftii}, \cs{@ylii}, 

+% \cs{yl@xdiff} and \cs{yl@ydiff}}

+%

+% \begin{macro}{\sixheterovi}

+% \begin{macro}{\@six@heterovi}

+% \begin{macro}{\@six@@heterovi}

+% \begin{macro}{\@sixheterovi}

+%    \begin{macrocode}

+\def\sixheterovi{\@ifnextchar({\@six@heterovi(@}{\@six@heterovi(@)}}

+\def\@six@heterovi(#1){\@ifnextchar[{\@six@@heterovi(#1)[@}%

+{\@six@@heterovi(#1)[@]}}

+\def\@six@@heterovi(#1)[#2]#3#4{\@ifnextchar[%

+{\@sixheterovi(#1)[#2]{#3}{#4}[@}%

+{\@sixheterovi(#1)[#2]{#3}{#4}[@]}}

+\def\@sixheterovi(#1)[#2]#3#4[#5]{%

+%    \end{macrocode}

+%

+%    \begin{macrocode}

+% %%%%%%%%%%%%%%%%%%%%%%%%%%

+% % treatment of atom list %

+% %%%%%%%%%%%%%%%%%%%%%%%%%%

+\iniatom\iniflag%initialize

+\test@vertix@sixv{#3}{d}{c}{b}{a}{f}{e}%

+% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%

+% % adjustment of subs positions %

+% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%

+\@reset@ylsw%

+\ylposition{#4}{5}{0}{5}{-1}%    %subst 1--4

+\ylposition{#4}{11}{4}{7}{-1}%   %subst 5 and 6

+\if@ylsw

+ \yl@shiftii=\@ylii

+ \yl@shifti=\@yli

+ \advance\yl@shiftii\yl@xdiff

+ \advance\yl@shifti\yl@ydiff

+ \begin{picture}(0,0)(-\yl@shiftii,-\yl@shifti)

+ \reset@yl@xydiff%1999/1/6 by S. Fujita

+\else

+ \begin{picture}(800,880)(-\shiftii,-\shifti)

+  \iforigpt \put(-\shiftii,-\shifti){\circle*{50}}%

+           \put(-\noshift,-\noshift){\circle{50}}% 

+   \typeout{command `sixheterovi' origin: %

+    (\the\noshift,\the\noshift) ---> (\the\shiftii,\the\shifti)}\fi%

+\fi

+%    \end{macrocode}

+%

+%    \begin{macrocode}

+% %%%%%%%%%%%%%%%%%%

+% % outer skeleton %

+% %%%%%%%%%%%%%%%%%%

+{\resetbdsw%

+\@bond@@omit{#5}%

+\set@skel@bond{#1}{a}{c}% bond between 1 and 2 \@aaa -> \skbondc etc

+\set@skel@bond{#1}{b}{b}% bond between 2 and 3 \@bbb -> \skbondb etc

+\set@skel@bond{#1}{c}{a}% bond between 3 and 4 \@ccc -> \skbonda etc

+\set@skel@bond{#1}{d}{f}% bond between 4 and 5 \@ddd -> \skbondf etc

+\set@skel@bond{#1}{e}{e}% bond between 5 and 6 \@eee -> \skbonde etc

+\set@skel@bond{#1}{f}{d}% bond between 6 and 1 \@fff -> \skbondd etc

+}%

+%%%\set@outskel@sixv% replaced by the above 1998/12/30

+% %%%%%%%%%%%%%%%%%%%%%

+% % inner double bond %

+% %%%%%%%%%%%%%%%%%%%%%

+\@tfor\member:=#2\do{%

+\if\member r\relax \bondd \bondf \bondb%

+\else\if\member l\relax \bonda \bondc \bonde%

+\else\if\member a\relax \bondc%

+\else\if\member b\relax \bondb%

+\else\if\member c\relax \bonda%

+\else\if\member d\relax \bondf%

+\else\if\member e\relax \bonde%

+\else\if\member f\relax \bondd%

+\else\if\member A%left aromatic circle 

+  \put(0,203){\circle{240}}%               %circle

+% %%%%%%%%%%%%%%%%%%%%%%%%%

+% % inner bond attachment %

+% %%%%%%%%%%%%%%%%%%%%%%%%%

+\else \expandafter\twoCH@@R\member//%

+   \set@fusionadd@sixvi

+\fi\fi\fi\fi\fi\fi\fi\fi\fi%

+}%

+% %%%%%%%%%%%%%%%%%%%%%%%%

+% % setting hetero atoms %

+% %%%%%%%%%%%%%%%%%%%%%%%%

+\set@hetatom@sixv{#3}{5}{0}{5}{-1}%    %atom 1--4%

+\set@hetatom@sixv{#3}{11}{4}{7}{-1}%   %atom 5 and 6%

+% %%%%%%%%%%%%%%%%%%%%%%%%

+% % setting substituents %

+% %%%%%%%%%%%%%%%%%%%%%%%%

+\setsixringv{#4}{5}{0}{5}{-1}%    %subst 1--4

+\setsixringv{#4}{11}{4}{7}{-1}%   %subst 5 and 6

+\end{picture}\iniatom\iniflag}%     %end of \sixheterovi macro

+%    \end{macrocode}

+% \end{macro}

+% \end{macro}

+% \end{macro}

+% \end{macro}

+%

+% \subsection{Pyridine derivatives of vertical type}

+%

+% The macros |\sixheterov| and |\sixheterovi| can be used in the 

+% form of a fixed |ATOMLIST|.  Hence, the resulting commands for 

+% drawing a six-membered heterocyle with one or more nitrogen atoms 

+% have an argument |SUBSLIST| as well as an optional argument |BONDLIST|.  

+%

+% \begin{verbatim}

+% ************************

+% * pyridine derivatives *

+% *  (vertical type)     *

+% ************************

+%

+%   \pyridinev[BONDLIST]{SUBSLIST}

+%   \pyridinevi[BONDLIST]{SUBSLIST}

+%   \pyrazinev[BONDLIST]{SUBSLIST}

+%   \pyrimidinev[BONDLIST]{SUBSLIST}

+%   \pyrimidinevi[BONDLIST]{SUBSLIST}

+%   \triazinev[BONDLIST]{SUBSLIST}

+%   \triazinevi[BONDLIST]{SUBSLIST}

+% \end{verbatim}

+%

+% The |BONDLIST| argument contains one 

+% character selected from a to f, each of which indicates the presence of 

+% an inner (endcyclic) double bond on the corresponding position. 

+% The option `A' represents an aromatic circle. The option 

+% `$n+$' ($n=1$ to $6$) represents a plus charge on a hetero atom 

+% at the $n$-position. 

+%

+% \begin{verbatim}

+%     BONDLIST = 

+%

+%           none or r  :  pyridine (right-handed)

+%           l          :  pyridine (left-handed)

+%           []         :  fully saturated ring

+%           a          :  1,2-double bond

+%           b          :  2,3-double bond

+%           c          :  4,3-double bond

+%           d          :  4,5-double bond

+%           e          :  5,6-double bond

+%           f          :  6,1-double bond

+%           A          :  aromatic circle 

+%           {n+}       :  plus at the n-nitrogen atom

+% \end{verbatim}

+%

+% The |SUBSLIST| argument contains one or more substitution descriptors 

+% which are separated from each other by a semicolon.  Each substitution 

+% descriptor has a locant number with a bond modifier and a substituent, 

+% where these are separated with a double equality symbol. 

+% \begin{verbatim}

+%

+%     SUBSLIST: list of substituents

+%

+%       for n = 1 to 6 

+%

+%           nD         :  exocyclic double bond at n-atom

+%           n or nS    :  exocyclic single bond at n-atom

+%           nA         :  alpha single bond at n-atom

+%           nB         :  beta single bond at n-atom

+%           nSA        :  alpha single bond at n-atom (boldface)

+%           nSB        :  beta single bond at n-atom (dotted line)

+%           nSa        :  alpha (not specified) single bond at n-atom

+%           nSb        :  beta (not specified) single bond at n-atom

+%

+%           nSd        :  alpha single bond at n-atom (dotted line) 

+%                           with an alternative direction to nSA 

+%           nSu        :  beta single bond at n-atom (boldface) 

+%                           with an alternative direction to nSB 

+%           nFA        :  alpha single bond at n-atom (dotted line) 

+%                           for ring fusion 

+%           nFB        :  beta single bond at n-atom (boldface) 

+%                           for ring fusion 

+%           nGA        :  alpha single bond at n-atom (dotted line) 

+%                           for the other ring fusion 

+%           nGB        :  beta single bond at n-atom (boldface) 

+%                           for the other ring fusion 

+% \end{verbatim}

+%

+% Several examples are shown as follows.

+% \begin{verbatim}

+%       e.g. 

+%        

+%        \pyridinev{1==Cl;2==F}

+%        \pyridinev[c]{1==Cl;4==F;2==CH$_{3}$}

+%        \pyridinev[eb]{1D==O;4SA==MeO;4SB==OMe;5W==Cl;6==Cl}

+% \end{verbatim}

+%

+% \begin{macro}{\pridinev}

+% \begin{macro}{\pridinevi}

+%    \begin{macrocode}

+\def\pyridinev{\@ifnextchar[{\@pyridinev[@}{\@pyridinev[r]}}

+\def\@pyridinev[#1]#2{%

+\iforigpt \typeout{command `pyridinev' %

+   is based on `sixheterov'.}\fi%

+\sixheterov[#1]{1==N}{#2}}%end of \pyridinev macro

+\def\pyridinevi{\@ifnextchar[{\@pyridinevi[@}{\@pyridinevi[r]}}

+\def\@pyridinevi[#1]#2{%

+\iforigpt \typeout{command `pyridinevi' %

+   is based on `sixheterovi'.}\fi%

+\sixheterovi[#1]{1==N}{#2}}%end of \pyridinevi macro

+%    \end{macrocode}

+% \end{macro}

+% \end{macro}

+%

+% \begin{macro}{\pyrazinev}

+% \begin{macro}{\pyrazinevi}

+%    \begin{macrocode}

+\def\pyrazinev{\@ifnextchar[{\@pyrazinev[@}{\@pyrazinev[r]}}

+\def\@pyrazinev[#1]#2{%

+\iforigpt \typeout{command `pyrazinev' %

+   is based on `sixheterov'.}\fi%

+\sixheterov[#1]{1==N;4==N}{#2}}%end of \pyrazinev macro

+%the same formula with an alternative locant numbering

+\def\pyrazinevi{\@ifnextchar[{\@pyrazinevi[@}{\@pyrazinevi[r]}}

+\def\@pyrazinevi[#1]#2{%

+\iforigpt \typeout{command `pyrazinevi' %

+   is based on `sixheterovi'.}\fi%

+\sixheterovi[#1]{1==N;4==N}{#2}}%end of \pyrazinevi macro

+%    \end{macrocode}

+% \end{macro}

+% \end{macro}

+%

+% \begin{macro}{\pyrimidinev}

+% \begin{macro}{\pyrimidinevi}

+%    \begin{macrocode}

+\def\pyrimidinev{\@ifnextchar[{\@pyrimidinev[@}{\@pyrimidinev[r]}}

+\def\@pyrimidinev[#1]#2{%

+\iforigpt \typeout{command `pyrimidinev' %

+   is based on `sixheterov'.}\fi%

+\sixheterov[#1]{1==N;3==N}{#2}}%end of \pyrimidinev macro

+\def\pyrimidinevi{\@ifnextchar[{\@pyrimidinevi[@}{\@pyrimidinevi[r]}}

+\def\@pyrimidinevi[#1]#2{%

+\iforigpt \typeout{command `pyrimidinevi' %

+   is based on `sixheterovi'.}\fi%

+\sixheterovi[#1]{1==N;3==N}{#2}}%end of \pyrimidinevi macro

+%    \end{macrocode}

+% \end{macro}

+% \end{macro}

+%

+% \begin{macro}{\pyridazinev}

+% \begin{macro}{\pyridazinevi}

+%    \begin{macrocode}

+\def\pyridazinev{\@ifnextchar[{\@pyridazinev[@}{\@pyridazinev[r]}}

+\def\@pyridazinev[#1]#2{%

+\iforigpt \typeout{command `pyridazinev' %

+   is based on `sixheterov'.}\fi%

+\sixheterov[#1]{1==N;2==N}{#2}}%end of \pyridazinev macro

+\def\pyridazinevi{\@ifnextchar[{\@pyridazinevi[@}{\@pyridazinevi[r]}}

+\def\@pyridazinevi[#1]#2{%

+\iforigpt \typeout{command `pyridazinev' %

+   is based on `sixheterovi'.}\fi%

+\sixheterovi[#1]{1==N;2==N}{#2}}%end of \pyridazinevi macro

+%    \end{macrocode}

+% \end{macro}

+% \end{macro}

+%

+% \begin{macro}{\triazinev}

+% \begin{macro}{\triazinevi}

+%    \begin{macrocode}

+\def\triazinev{\@ifnextchar[{\@triazinev[@}{\@triazinev[r]}}

+\def\@triazinev[#1]#2{%

+\iforigpt \typeout{command `triazinev' %

+   is based on `sixheterov'.}\fi%

+\sixheterov[#1]{1==N;3==N;5==N}{#2}}%end of \triazinev macro

+\def\triazinevi{\@ifnextchar[{\@triazinevi[@}{\@triazinevi[r]}}

+\def\@triazinevi[#1]#2{%

+\iforigpt \typeout{command `triazinevi' %

+   is based on `sixheterovi'.}\fi%

+\sixheterovi[#1]{1==N;3==N;5==N}{#2}}%end of \triazinevi macro

+%    \end{macrocode}

+% \end{macro}

+% \end{macro}

+%

+% \section{Five-membered heterocycles}

+% \subsection{Vertical type}

+%

+% The standard skeleton of a five-membered heterocycle 

+% is selected to have the following locant numbers. 

+%

+% \begin{verbatim}

+% **************************

+% * fivehetero derivatives *

+% *  (vertical type)       *

+% **************************

+% The following numbering is adopted in this macro. 

+%

+%     4  _____  3

+%       |     |

+%       |     |

+%     5  *   *  2

+%          *

+%          1 <===== the original point

+% \end{verbatim}

+%

+% The macro |\fiveheterov| has two arguments |ATOMLIST| and |SUBSLIST| 

+% as well as an optional argument |BONDLIST|.  

+% Two optional arguments |SKBONDLIST| and |OMIT| are added to 

+% treat stereochemical information or other bond situations. 

+%

+% \begin{verbatim}

+%   \fiveheterov(SKBONDLIST)[BONDLIST]{ATOMLIST}{SUBSLIST}[OMIT]

+% \end{verbatim}

+%

+% The |SKBONDLIST| argument contains pairs of two alphabets in 

+% parentheses, e.g. (\{bA\}\{fB\}).  Each pair contains a lowercase 

+% character selected from bond specifiers `a' to `e' and a uppercase

+% character `A' or `B'. 

+%

+% The |BONDLIST| argument contains one 

+% character selected from a to e, each of which indicates the presence of 

+% an inner (endcyclic) double bond on the corresponding position. 

+% The option `A' represents an aromatic circle. The option 

+% `$n+$' ($n=1$ to $5$) represents a plus charge on a hetero atom 

+% at the $n$-position. 

+% The option `$0+$' typesets a plus charge at the center of the ring. 

+%

+% \begin{verbatim}

+%     BONDLIST: list of inner double bonds 

+%

+%           a          :  1,2-double bond

+%           b          :  2,3-double bond

+%           c          :  4,3-double bond

+%           d          :  4,5-double bond

+%           e          :  5,1-double bond

+%           A          :  aromatic circle

+%           {n+}       :  plus at the n-nitrogen atom (n = 1 to 5)

+%           {0+}       :  plus (or minus) at the center

+% \end{verbatim}

+%

+% The |ATOMLIST| argument contains one or more heteroatom descriptors 

+% which are separated from each other by a semicolon.  Each heteroatom 

+% descriptor consists of a locant number and a heteroatom, 

+% where these are separated with a double equality symbol. 

+%

+% \begin{verbatim}

+%

+%     ATOMLIST: list of heteroatoms (max 5 atoms)

+%

+%       for n = 1 to 5

+%

+%           n          : Hetero atom, e.g. N, O, etc. at n-position

+%                        e.g. 1==N for N at 1-position

+% \end{verbatim}

+%

+% The |SUBSLIST| argument contains one or more substitution descriptors 

+% which are separated from each other by a semicolon.  Each substitution 

+% descriptor has a locant number with a bond modifier and a substituent, 

+% where these are separated with a double equality symbol. 

+%

+% \begin{verbatim}

+%     SUBSLIST: list of substituents

+%

+%       for n = 1 to 5 

+%

+%           nD         :  exocyclic double bond at n-atom

+%           n or nS    :  exocyclic single bond at n-atom

+%           nA         :  alpha single bond at n-atom

+%           nB         :  beta single bond at n-atom

+%           nSA        :  alpha single bond at n-atom (boldface)

+%           nSB        :  beta single bond at n-atom (dotted line)

+%           nSa        :  alpha (not specified) single bond at n-atom

+%           nSb        :  beta (not specified) single bond at n-atom

+%

+%           nSd        :  alpha single bond at n-atom (dotted line) 

+%                           with an alternative direction to nSA 

+%           nSu        :  beta single bond at n-atom (boldface) 

+%                           with an alternative direction to nSB 

+%           nFA        :  alpha single bond at n-atom (dotted line) 

+%                           for ring fusion 

+%           nFB        :  beta single bond at n-atom (boldface) 

+%                           for ring fusion 

+%           nGA        :  alpha single bond at n-atom (dotted line) 

+%                           for the other ring fusion 

+%           nGB        :  beta single bond at n-atom (boldface) 

+%                           for the other ring fusion 

+% \end{verbatim}

+%

+% The argument |OMIT| represents one or more bonds to be omitted. 

+% The omitted edges may be regarded as both fused and non-fused 

+% positions. 

+%

+% \begin{verbatim}

+%     OMIT:  one or more bonds omitted (a, b, c, d, or e)

+% \end{verbatim}

+%

+% Several examples are shown as follows.

+% \begin{verbatim}

+%       e.g. 

+%        

+%        \fiveheterov{1==N}{1==H;2==F}

+%        \fiveheterov[c]{1==N}{1==Cl;4==F;2==CH$_{3}$}

+%        \fiveheterov[eb]{1==N}{1D==O;4SA==MeO;4SB==OMe;5W==Cl;6==Cl}

+% \end{verbatim}

+%

+% The definition of |\fiveheterov| uses a picture environment and 

+% consists of the same unit processes as shown in |\sixheterov|: 

+% \begin{enumerate}

+% \item treatment of atom list, 

+% \item placing outer skeletons, 

+% \item placing inner double bonds, 

+% \item setting hetero atoms, and 

+% \item placing substituents by using |\setsixringv| partially. 

+% \end{enumerate}

+% \changes{v1.02}{1998/10/31}{Adding \cs{ylposition}, \cs{if@ylsw},

+% \cs{yl@shifti}, \cs{@ylii}, \cs{yl@shiftii}, \cs{@ylii}, 

+% \cs{yl@xdiff} and \cs{yl@ydiff}}

+% \changes{v2.00}{1998/10/31}{Add: fused and spiro rings}

+%

+% \begin{macro}{\fiveheterov}

+% \begin{macro}{\@five@heterov}

+% \begin{macro}{\@five@@heterov}

+% \begin{macro}{\@fiveheterov}

+%    \begin{macrocode}

+\def\fiveheterov{\@ifnextchar({\@five@heterov(@}{\@five@heterov(@)}}

+\def\@five@heterov(#1){\@ifnextchar[{\@five@@heterov(#1)[@}%

+{\@five@@heterov(#1)[@]}}

+\def\@five@@heterov(#1)[#2]#3#4{\@ifnextchar[%

+{\@fiveheterov(#1)[#2]{#3}{#4}[@}%

+{\@fiveheterov(#1)[#2]{#3}{#4}[@]}}

+\def\@fiveheterov(#1)[#2]#3#4[#5]{%

+\iniatom\iniflag%initialize

+% %%%%%%%%%%%%%

+% % atom list %

+% %%%%%%%%%%%%%

+\test@vertix@sixv{#3}{d}{c}{b}{f}{e}{a}%

+%    \end{macrocode}

+%

+%    \begin{macrocode}

+% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%

+% % adustment of subs positions %

+% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%

+\@reset@ylsw%

+\ylposition{#4}{5}{1}{5}{-1}%   % for 1 to 3

+\ylposition{#4}{10}{4}{7}{-1}%  % for 4 to 5

+\if@ylsw

+ \yl@shiftii=\@ylii

+ \yl@shifti=\@yli

+ \advance\yl@shiftii\yl@xdiff

+ \advance\yl@shifti\yl@ydiff

+ \begin{picture}(0,0)(-\yl@shiftii,-\yl@shifti)

+ \reset@yl@xydiff%1999/1/6 by S. Fujita

+\else

+\begin{picture}(800,880)(-\shiftii,-\shifti)%

+  \iforigpt \put(-\shiftii,-\shifti){\circle*{50}}%

+           \put(-\noshift,-\noshift){\circle{50}}% 

+   \typeout{command `fiveheterov' origin: %

+    (\the\noshift,\the\noshift) ---> (\the\shiftii,\the\shifti)}\fi%

+\fi

+%    \end{macrocode}

+%

+%    \begin{macrocode}

+% %%%%%%%%%%%%%%%%%%

+% % outer skeleton %

+% %%%%%%%%%%%%%%%%%%

+{\resetbdsw%

+\@bond@@omit{#5}%

+\set@skel@bond{#1}{a}{c}% bond between 1 and 2 \@aaa -> \skbondc etc

+\set@skel@bond{#1}{b}{b}% bond between 2 and 3 \@bbb -> \skbondb etc

+\set@skel@longbond{#1}{c}{skbondhoriz}%

+      % bond between 3 and 4 \@ccc -> \skbondhoriz etc

+\set@skel@bond{#1}{d}{e}% bond between 4 and 5 \@ddd -> \skbonde etc

+\set@skel@bond{#1}{e}{d}% bond between 5 and 1 \@eee -> \skbondd etc

+}%

+%    \end{macrocode}

+%

+%    \begin{macrocode}

+% %%%%%%%%%%%%%%%%%%%%%

+% % inner double bond %

+% %%%%%%%%%%%%%%%%%%%%%

+\@tfor\member:=#2\do{%

+\if\member r%

+\else\if\member a\relax \bondc%

+\else\if\member b\relax \bondb%

+\else\if\member c\relax \bondhoriz%

+\else\if\member d\relax \bonde%

+\else\if\member e\relax \bondd%

+\else\if\member A\relax%

+ \put(0,173){\circle{180}}%aromatic circle

+% %%%%%%%%%%%%%%%%%%%%%%%%%

+% % inner bond attachment %

+% %%%%%%%%%%%%%%%%%%%%%%%%%

+\else

+    \expandafter\twoCH@@R\member//%

+    \set@fusionadd@fivev

+\fi\fi\fi\fi\fi\fi\fi}%

+%    \end{macrocode}

+%

+%    \begin{macrocode}

+% %%%%%%%%%%%%%%%%%%%%%%%

+% % setting heteroatoms %

+% %%%%%%%%%%%%%%%%%%%%%%%

+\set@hetatom@sixv{#3}{5}{1}{5}{-1}%   % for 1 to 3

+\set@hetatom@sixv{#3}{10}{4}{7}{-1}%  % for 4 to 5

+%    \end{macrocode}

+%

+%    \begin{macrocode}

+% %%%%%%%%%%%%%%%%%%%%%%%%

+% % setting substituents %

+% %%%%%%%%%%%%%%%%%%%%%%%%

+\setsixringv{#4}{5}{1}{5}{-1}%   % for 1 to 3

+\setsixringv{#4}{10}{4}{7}{-1}%  % for 4 to 5

+\end{picture}\iniatom\iniflag}% end of \fiveheterov macro

+%    \end{macrocode}

+% \end{macro}

+% \end{macro}

+% \end{macro}

+% \end{macro}

+%

+% \subsection{Inverse vertical type}

+%

+% The standard skeleton of a five-membered heterocycle of inverse type 

+% is selected to have the following locant numbers. 

+%

+% \begin{verbatim}

+% *****************************

+% * fivehetero derivatives    *

+% *  (vertical type, inverse) *

+% *****************************

+% The following numbering is adopted in this macro. 

+%

+%          1

+%          * 

+%     6  *   *  2

+%       |     |

+%       |_____|

+%     4         3

+%          *

+%        (0,0) <===== the original point

+% \end{verbatim}

+%

+% The macro |\fiveheterovi| has two arguments |ATOMLIST| and |SUBSLIST| 

+% as well as an optional argument |BONDLIST|.  

+% Two optional arguments |SKBONDLIST| and |OMIT| are added to 

+% treat stereochemical information or other bond situations. 

+%

+% \begin{verbatim}

+%   \fiveheterovi(SKBONDLIST)[BONDLIST]{ATOMLIST}{SUBSLIST}[OMIT]

+% \end{verbatim}

+%

+% The |SKBONDLIST| argument contains pairs of two alphabets in 

+% parentheses, e.g. (\{bA\}\{fB\}).  Each pair contains a lowercase 

+% character selected from bond specifiers `a' to `f' and a uppercase

+% character `A' or `B'. 

+%

+% The |BONDLIST| argument contains one 

+% character selected from a to e, each of which indicates the presence of 

+% an inner (endcyclic) double bond on the corresponding position. 

+% The option `A' represents an aromatic circle. The option 

+% `$n+$' ($n=1$ to $5$) represents a plus charge on a hetero atom 

+% at the $n$-position. 

+% The option `$0+$' typesets a plus charge at the center of the ring. 

+%

+% \begin{verbatim}

+%     BONDLIST: list of inner double bonds 

+%

+%           a          :  1,2-double bond

+%           b          :  2,3-double bond

+%           c          :  4,3-double bond

+%           d          :  4,5-double bond

+%           e          :  5,1-double bond

+%           A          :  aromatic circle

+%           {n+}       :  plus at the n-nitrogen atom (n = 1 to 5)

+%           {0+}       :  plus (or minus) at the center

+% \end{verbatim}

+%

+% The |ATOMLIST| argument contains one or more heteroatom descriptors 

+% which are separated from each other by a semicolon.  Each heteroatom 

+% descriptor consists of a locant number and a heteroatom, 

+% where these are separated with a double equality symbol. 

+%

+% \begin{verbatim}

+%     ATOMLIST: list of heteroatoms (max 5 atoms)

+%

+%       for n = 1 to 5

+%

+%           n          : Hetero atom, e.g. N, O, etc. at n-position

+%                        e.g. 1==N for N at 1-position

+% \end{verbatim}

+%

+% The |SUBSLIST| argument contains one or more substitution descriptors 

+% which are separated from each other by a semicolon.  Each substitution 

+% descriptor has a locant number with a bond modifier and a substituent, 

+% where these are separated with a double equality symbol. 

+%

+% \begin{verbatim}

+%     SUBSLIST: list of substituents

+%

+%       for n = 1 to 5 

+%

+%           nD         :  exocyclic double bond at n-atom

+%           n or nS    :  exocyclic single bond at n-atom

+%           nA         :  alpha single bond at n-atom

+%           nB         :  beta single bond at n-atom

+%           nSA        :  alpha single bond at n-atom (boldface)

+%           nSB        :  beta single bond at n-atom (dotted line)

+%           nSa        :  alpha (not specified) single bond at n-atom

+%           nSb        :  beta (not specified) single bond at n-atom

+%

+%           nSd        :  alpha single bond at n-atom (dotted line) 

+%                           with an alternative direction to nSA 

+%           nSu        :  beta single bond at n-atom (boldface) 

+%                           with an alternative direction to nSB 

+%           nFA        :  alpha single bond at n-atom (dotted line) 

+%                           for ring fusion 

+%           nFB        :  beta single bond at n-atom (boldface) 

+%                           for ring fusion 

+%           nGA        :  alpha single bond at n-atom (dotted line) 

+%                           for the other ring fusion 

+%           nGB        :  beta single bond at n-atom (boldface) 

+%                           for the other ring fusion 

+% \end{verbatim}

+%

+% The argument |OMIT| represents one or more bonds to be omitted. 

+% The omitted edges may be regarded as both fused and non-fused 

+% positions. 

+%

+% \begin{verbatim}

+%     OMIT:  one or more bonds omitted (a, b, c, d, or e)

+% \end{verbatim}

+%

+% Several examples are shown as follows.

+% \begin{verbatim}

+%       e.g. 

+%        

+%        \fiveheterovi{1==N}{1==H;2==F}

+%        \fiveheterovi[c]{1==N}{1==Cl;4==F;2==CH$_{3}$}

+%        \fiveheterovi[eb]{1==N}{1D==O;4SA==MeO;4SB==OMe;5==Cl;6==Cl}

+% \end{verbatim}

+%

+% The definition of |\fiveheterovi| uses a picture environment and 

+% consists of the same unit processes as shown in |\sixheterov|: 

+% \begin{enumerate}

+% \item treatment of atom list, 

+% \item placing outer skeletons, 

+% \item placing inner double bonds, 

+% \item setting hetero atoms, and 

+% \item placing substituents by using |\setsixringv| partially. 

+% \end{enumerate}

+% \changes{v1.02}{1998/10/31}{Adding \cs{ylposition}, \cs{if@ylsw},

+% \cs{yl@shifti}, \cs{@ylii}, \cs{yl@shiftii}, \cs{@ylii}, 

+% \cs{yl@xdiff} and \cs{yl@ydiff}}

+%

+% \begin{macro}{\fiveheterovi}

+% \begin{macro}{\@five@heterovi}

+% \begin{macro}{\@five@@heterovi}

+% \begin{macro}{\@fiveheterovi}

+%    \begin{macrocode}

+\def\fiveheterovi{\@ifnextchar({\@five@heterovi(@}{\@five@heterovi(@)}}

+\def\@five@heterovi(#1){\@ifnextchar[{\@five@@heterovi(#1)[@}%

+{\@five@@heterovi(#1)[@]}}

+\def\@five@@heterovi(#1)[#2]#3#4{\@ifnextchar[%

+{\@fiveheterovi(#1)[#2]{#3}{#4}[@}%

+{\@fiveheterovi(#1)[#2]{#3}{#4}[@]}}

+\def\@fiveheterovi(#1)[#2]#3#4[#5]{%

+\iniatom\iniflag%initialize

+%    \end{macrocode}

+%

+%    \begin{macrocode}

+% %%%%%%%%%%%%%

+% % atom list %

+% %%%%%%%%%%%%%

+\test@vertix@sixv{#3}{a}{b}{c}{e}{f}{d}% d -- dummy

+% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%

+% % adustment of subs positions %

+% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%

+\@reset@ylsw%

+\ylposition{#4}{0}{0}{4}{0}%  % for 1 to 3

+\ylposition{#4}{1}{4}{7}{0}%  % for 4 to 5

+\if@ylsw

+ \yl@shiftii=\@ylii

+ \yl@shifti=\@yli

+ \advance\yl@shiftii\yl@xdiff

+ \advance\yl@shifti\yl@ydiff

+ \begin{picture}(0,0)(-\yl@shiftii,-\yl@shifti)

+ \reset@yl@xydiff%1999/1/6 by S. Fujita

+\else

+\begin{picture}(800,880)(-\shiftii,-\shifti)%

+  \iforigpt \put(-\shiftii,-\shifti){\circle*{50}}%

+           \put(-\noshift,-\noshift){\circle{50}}% 

+   \typeout{command `fiveheterovi' origin: %

+    (\the\noshift,\the\noshift) ---> (\the\shiftii,\the\shifti)}\fi%

+\fi

+%    \end{macrocode}

+%

+%    \begin{macrocode}

+% %%%%%%%%%%%%%%%%%%

+% % outer skeleton %

+% %%%%%%%%%%%%%%%%%%

+{\resetbdsw%

+\@bond@@omit{#5}%

+\set@skel@bond{#1}{a}{a}% bond between 1 and 2 \@aaa -> \skbonda etc

+\set@skel@bond{#1}{b}{b}% bond between 2 and 3 \@bbb -> \skbondb etc

+\set@skel@longbond{#1}{c}{skbondhorizi}%

+      % bond between 3 and 4 \@ccc -> \skbondhorizi etc

+\set@skel@bond{#1}{d}{e}% bond between 4 and 5 \@ddd -> \skbonde etc

+\set@skel@bond{#1}{e}{f}% bond between 5 and 6 \@eee -> \skbondf etc

+}%

+%    \end{macrocode}

+%

+%    \begin{macrocode}

+% %%%%%%%%%%%%%%%%%%%%%

+% % inner double bond %

+% %%%%%%%%%%%%%%%%%%%%%

+\@tfor\member:=#2\do{%

+\if\member r%

+\else\if\member a\relax \bonda%

+\else\if\member b\relax \bondb%

+\else\if\member c\relax \bondhorizi%

+\else\if\member d\relax \bonde%

+\else\if\member e\relax \bondf%

+\else\if\member A\relax%

+ \put(0,233){\circle{180}}%aromatic circle

+\else

+    \expandafter\twoCH@@R\member//%

+    \set@fusionadd@fivevi

+\fi\fi\fi\fi\fi\fi\fi}%

+%    \end{macrocode}

+%

+%    \begin{macrocode}

+% %%%%%%%%%%%%%%%%%%%%%%%

+% % setting heteroatoms %

+% %%%%%%%%%%%%%%%%%%%%%%%

+\set@hetatom@sixv{#3}{0}{0}{4}{0}%  % for 1 to 3

+\set@hetatom@sixv{#3}{1}{4}{7}{0}%  % for 4 to 5

+%    \end{macrocode}

+%

+%    \begin{macrocode}

+% %%%%%%%%%%%%%%%%%%%%%%%%

+% % setting substituents %

+% %%%%%%%%%%%%%%%%%%%%%%%%

+\setsixringv{#4}{0}{0}{4}{0}%  % for 1 to 3

+\setsixringv{#4}{1}{4}{7}{0}%  % for 4 to 5

+\end{picture}\iniatom\iniflag}%end of \fiveheterovi macro

+%    \end{macrocode}

+% \end{macro}

+% \end{macro}

+% \end{macro}

+% \end{macro}

+%

+% \subsection{Pyrrole derivatives of vertical type}

+%

+% The macro |\fiveheterov| can be used in the 

+% form of a fixed |ATOMLIST|.  Hence, the resulting commands for 

+% drawing a five-membered heterocyle with one or more nitrogen atoms 

+% have an argument |SUBSLIST| as well as an optional argument |BONDLIST|.  

+%

+% \begin{verbatim}

+% ***********************************

+% * pyrrole derivatives  and others *

+% *  (vertical type)                *

+% ***********************************

+%

+%   \pyrrolev[BONDLIST]{SUBSLIST}

+%   \pyrazolev[BONDLIST]{SUBSLIST}

+%   \imidazolev[BONDLIST]{SUBSLIST}

+%   \isoxazolev[BONDLIST]{SUBSLIST}

+%   \oxazolev[BONDLIST]{SUBSLIST}

+% \end{verbatim}

+%

+% The |BONDLIST| argument contains one 

+% character selected from a to e, each of which indicates the presence of 

+% an inner (endcyclic) double bond on the corresponding position. 

+% The option 

+% `$n+$' ($n=1$ to $5$) represents a plus charge on a hetero atom 

+% at the $n$-position. 

+%

+% \begin{verbatim}

+%     BONDLIST: list of inner double bonds 

+%

+%           none       :  mother nucleus

+%           []         :  fully saturated form

+%           a          :  1,2-double bond

+%           b          :  2,3-double bond

+%           c          :  4,3-double bond

+%           d          :  4,5-double bond

+%           e          :  5,1-double bond

+%           {n+}       :  plus at the n-nitrogen atom (n = 1 to 5)

+% \end{verbatim}

+%

+% The |SUBSLIST| argument contains one or more substitution descriptors 

+% which are separated from each other by a semicolon.  Each substitution 

+% descriptor has a locant number with a bond modifier and a substituent, 

+% where these are separated with a double equality symbol. 

+%

+% \begin{verbatim}

+%     SUBSLIST: list of substituents

+%

+%       for n = 1 to 5 

+%

+%           nD         :  exocyclic double bond at n-atom

+%           n or nS    :  exocyclic single bond at n-atom

+%           nA         :  alpha single bond at n-atom

+%           nB         :  beta single bond at n-atom

+%           nSA        :  alpha single bond at n-atom (boldface)

+%           nSB        :  beta single bond at n-atom (dotted line)

+%           nSa        :  alpha (not specified) single bond at n-atom

+%           nSb        :  beta (not specified) single bond at n-atom

+%

+%           nSd        :  alpha single bond at n-atom (dotted line) 

+%                           with an alternative direction to nSA 

+%           nSu        :  beta single bond at n-atom (boldface) 

+%                           with an alternative direction to nSB 

+%           nFA        :  alpha single bond at n-atom (dotted line) 

+%                           for ring fusion 

+%           nFB        :  beta single bond at n-atom (boldface) 

+%                           for ring fusion 

+%           nGA        :  alpha single bond at n-atom (dotted line) 

+%                           for the other ring fusion 

+%           nGB        :  beta single bond at n-atom (boldface) 

+%                           for the other ring fusion 

+% \end{verbatim}

+%

+% Several examples are shown as follows.

+% \begin{verbatim}

+%       e.g. 

+%        

+%        \pyrrolev{1==H;2==F}

+%        \pyrrolev[]{1==H;2==F}

+%        \imidazolev[c]{1==Cl;4==F;2==CH$_{3}$}

+%        \isoxazolev[eb]{1==N}{1D==O;4SA==MeO;4SB==OMe;5W==Cl;6==Cl}

+% \end{verbatim}

+%

+% \begin{macro}{\pyrrolev}

+% \begin{macro}{\pyrazolev}

+% \begin{macro}{\imidazolev}

+% \begin{macro}{\isoxazolev}

+% \begin{macro}{\oxazolev}

+%    \begin{macrocode}

+\def\pyrrolev{\@ifnextchar[{\@pyrrolev[@}{\@pyrrolev[bd]}}

+\def\@pyrrolev[#1]#2{%

+\iforigpt \typeout{command `pyrrolev' %

+  is based on `fiveheterov'.}\fi%

+\fiveheterov[#1]{1==N}{#2}}

+\def\pyrazolev{\@ifnextchar[{\@pyrazolev[@}{\@pyrazolev[bd]}}

+\def\@pyrazolev[#1]#2{%

+\iforigpt \typeout{command `pyrazolev' %

+  is based on `fiveheterov'.}\fi%

+\fiveheterov[#1]{1==N;2==N}{#2}}

+\def\imidazolev{\@ifnextchar[{\@imidazolev[@}{\@imidazolev[bd]}}

+\def\@imidazolev[#1]#2{%

+\iforigpt \typeout{command `imidazolev' %

+  is based on `fiveheterov'.}\fi%

+\fiveheterov[#1]{1==N;3==N}{#2}}

+\def\isoxazolev{\@ifnextchar[{\@isoxazolev[@}{\@isoxazolev[bd]}}

+\def\@isoxazolev[#1]#2{%

+\iforigpt \typeout{command `isoxazolev' %

+  is based on `fiveheterov'.}\fi%

+\fiveheterov[#1]{1==O;2==N}{#2}}

+\def\oxazolev{\@ifnextchar[{\@oxazolev[@}{\@oxazolev[bd]}}

+\def\@oxazolev[#1]#2{%

+\iforigpt \typeout{command `oxazolev' %

+  is based on `fiveheterov'.}\fi%

+\fiveheterov[#1]{1==O;3==N}{#2}}

+%    \end{macrocode}

+% \end{macro}

+% \end{macro}

+% \end{macro}

+% \end{macro}

+% \end{macro}

+%

+% \begin{macro}{\furanv}

+% \begin{macro}{\thiophenev}

+%    \begin{macrocode}

+\def\furanv{\@ifnextchar[{\@furanv[@}{\@furanv[bd]}}

+\def\@furanv[#1]#2{%

+\iforigpt \typeout{command `furanv' %

+  is based on `fiveheterov'.}\fi%

+\fiveheterov[#1]{1==O}{#2}}

+\def\thiophenev{\@ifnextchar[{\@thiophenev[@}{\@thiophenev[bd]}}

+\def\@thiophenev[#1]#2{%

+\iforigpt \typeout{command `thiophenev' %

+  is based on `fiveheterov'.}\fi%

+\fiveheterov[#1]{1==S}{#2}}

+%    \end{macrocode}

+% \end{macro}

+% \end{macro}

+%

+% \subsection{Pyrrole derivatives of inverse vertical type}

+%

+% The macro |\fiveheterovi| can be used in the 

+% form of a fixed |ATOMLIST|.  Hence, the resulting commands for 

+% drawing a five-membered heterocyle with one or more nitrogen atoms 

+% have an argument |SUBSLIST| as well as an optional argument |BONDLIST|.  

+%

+% \begin{verbatim}

+% ***********************************

+% * pyrrole derivatives  and others *

+% *  (vertical type, inverse)       *

+% ***********************************

+%

+%   \pyrrolevi[BONDLIST]{SUBSLIST}

+%   \pyrazolevi[BONDLIST]{SUBSLIST}

+%   \imidazolevi[BONDLIST]{SUBSLIST}

+%   \isoxazolevi[BONDLIST]{SUBSLIST}

+%   \oxazolevi[BONDLIST]{SUBSLIST}

+% \end{verbatim}

+%

+% The |BONDLIST| argument contains one 

+% character selected from a to e, each of which indicates the presence of 

+% an inner (endcyclic) double bond on the corresponding position. 

+% The option 

+% `$n+$' ($n=1$ to $5$) represents a plus charge on a hetero atom 

+% at the $n$-position. 

+%

+% \begin{verbatim}

+%     BONDLIST: list of inner double bonds 

+%

+%           none       :  mother nucleus

+%           []         :  fully saturated form

+%           a          :  1,2-double bond

+%           b          :  2,3-double bond

+%           c          :  4,3-double bond

+%           d          :  4,5-double bond

+%           e          :  5,1-double bond

+%           {n+}       :  plus at the n-nitrogen atom (n = 1 to 5)

+% \end{verbatim}

+%

+% The |SUBSLIST| argument contains one or more substitution descriptors 

+% which are separated from each other by a semicolon.  Each substitution 

+% descriptor has a locant number with a bond modifier and a substituent, 

+% where these are separated with a double equality symbol. 

+%

+% \begin{verbatim}

+%     SUBSLIST: list of substituents (max 6 substitution positions)

+%

+%       for n = 1 to 5 

+%

+%           nD         :  exocyclic double bond at n-atom

+%           n or nS    :  exocyclic single bond at n-atom

+%           nA         :  alpha single bond at n-atom

+%           nB         :  beta single bond at n-atom

+%           nSA        :  alpha single bond at n-atom (boldface)

+%           nSB        :  beta single bond at n-atom (dotted line)

+%           nSa        :  alpha (not specified) single bond at n-atom

+%           nSb        :  beta (not specified) single bond at n-atom

+%

+%           nSd        :  alpha single bond at n-atom (dotted line) 

+%                           with an alternative direction to nSA 

+%           nSu        :  beta single bond at n-atom (boldface) 

+%                           with an alternative direction to nSB 

+%           nFA        :  alpha single bond at n-atom (dotted line) 

+%                           for ring fusion 

+%           nFB        :  beta single bond at n-atom (boldface) 

+%                           for ring fusion 

+%           nGA        :  alpha single bond at n-atom (dotted line) 

+%                           for the other ring fusion 

+%           nGB        :  beta single bond at n-atom (boldface) 

+%                           for the other ring fusion 

+% \end{verbatim}

+%

+% Several examples are shown as follows.

+% \begin{verbatim}

+%       e.g. 

+%        

+%        \pyrrolevi{1==H;2==F}

+%        \pyrrolevi[]{1==H;2==F}

+%        \imidazolevi[c]{1==Cl;4==F;2==CH$_{3}$}

+%        \isoxazolevi[eb]{1==N}{1D==O;4SA==MeO;4SB==OMe;5W==Cl;6==Cl}

+% \end{verbatim}

+%

+% \begin{macro}{\pyrrolevi}

+% \begin{macro}{\pyrazolevi}

+% \begin{macro}{\imidazolevi}

+% \begin{macro}{\isoxazolevi}

+% \begin{macro}{\oxazolevi}

+%    \begin{macrocode}

+\def\pyrrolevi{\@ifnextchar[{\@pyrrolevi[@}{\@pyrrolevi[bd]}}

+\def\@pyrrolevi[#1]#2{%

+\iforigpt \typeout{command `pyrrolevi' %

+  is based on `fiveheterovi'.}\fi%

+\fiveheterovi[#1]{1==N}{#2}}

+\def\pyrazolevi{\@ifnextchar[{\@pyrazolevi[@}{\@pyrazolevi[bd]}}

+\def\@pyrazolevi[#1]#2{%

+\iforigpt \typeout{command `pyrazolevi' %

+  is based on `fiveheterovi'.}\fi%

+\fiveheterovi[#1]{1==N;2==N}{#2}}

+\def\imidazolevi{\@ifnextchar[{\@imidazolevi[@}{\@imidazolevi[bd]}}

+\def\@imidazolevi[#1]#2{%

+\iforigpt \typeout{command `imidazolevi' %

+  is based on `fiveheterovi'.}\fi%

+\fiveheterovi[#1]{1==N;3==N}{#2}}

+\def\isoxazolevi{\@ifnextchar[{\@isoxazolevi[@}{\@isoxazolevi[bd]}}

+\def\@isoxazolevi[#1]#2{%

+\iforigpt \typeout{command `isoxazolevi' %

+  is based on `fiveheterovi'.}\fi%

+\fiveheterovi[#1]{1==O;2==N}{#2}}

+\def\oxazolevi{\@ifnextchar[{\@oxazolevi[@}{\@oxazolevi[bd]}}

+\def\@oxazolevi[#1]#2{%

+\iforigpt \typeout{command `oxazolevi' %

+  is based on `fiveheterovi'.}\fi%

+\fiveheterovi[#1]{1==O;3==N}{#2}}

+%    \end{macrocode}

+% \end{macro}

+% \end{macro}

+% \end{macro}

+% \end{macro}

+% \end{macro}

+%

+% \begin{macro}{\furanvi}

+% \begin{macro}{\thiophenevi}

+%    \begin{macrocode}

+\def\furanvi{\@ifnextchar[{\@furanvi[@}{\@furanvi[bd]}}

+\def\@furanvi[#1]#2{%

+\iforigpt \typeout{command `furanvi' %

+  is based on `fiveheterovi'.}\fi%

+\fiveheterovi[#1]{1==O}{#2}}

+\def\thiophenevi{\@ifnextchar[{\@thiophenevi[@}{\@thiophenevi[bd]}}

+\def\@thiophenevi[#1]#2{%

+\iforigpt \typeout{command `thiophenevi' %

+  is based on `fiveheterovi'.}\fi%

+\fiveheterovi[#1]{1==S}{#2}}

+%    \end{macrocode}

+% \end{macro}

+% \end{macro}

+%

+% \section{Six-to-six fused heterocyles}

+% \subsection{Vertical type}

+%

+% The standard skeleton of a six-to-six fused heterocycle is selected 

+% to have the following locant numbers. 

+%

+% \begin{verbatim}

+% **************************

+% * decahetero derivatives *

+% *  (vertical type)       *

+% **************************

+% The following numbering is adopted in this macro. 

+%

+%          8 (10)1

+%          *  8a *

+%     7  *   * *   *  2

+%       |     |     |

+%       |     |     |

+%     6  *   * *   *  3

+%          *  4a *

+%          5 (9) 4

+%          ^

+%          |

+%          the original point

+% \end{verbatim}

+%

+% The macro |\decaheterov| has two arguments |ATOMLIST| and |SUBSLIST| 

+% as well as an optional argument |BONDLIST|.  

+% Two optional arguments |SKBONDLIST| and |OMIT| are added to 

+% treat stereochemical information or other bond situations. 

+%

+% \begin{verbatim}

+%   \decaheterov(SKBONDLIST)[BONDLIST]{ATOMLIST}{SUBSLIST}[OMIT]

+% \end{verbatim}

+%

+% The |SKBONDLIST| argument contains pairs of two alphabets in 

+% parentheses, e.g. (\{bA\}\{fB\}).  Each pair contains a lowercase 

+% character selected from bond specifiers `a' to `k' and a uppercase

+% character `A' or `B'. 

+%

+% The |BONDLIST| argument contains one 

+% character selected from a to k, each of which indicates the presence of 

+% an inner (endcyclic) double bond on the corresponding position. 

+% The option `A' and `B' represent aromatic circles. The option 

+% `$n+$' ($n=1$ to $10$) represents a plus charge on a hetero atom 

+% at the $n$-position. 

+%

+% \begin{verbatim}

+%     BONDLIST:  list of bonds 

+%

+%           none or r  :  decahetero (right-handed)

+%           l          :  decahetero (left-handed)

+%           []         :  fully saturated form

+%           a    :  1,2-double bond      b    :  2,3-double bond

+%           c    :  4,3-double bond      d    :  4,4a-double bond

+%           e    :  4a,5-double bond     f    :  5,6-double bond

+%           g    :  6,7-double bond      h    :  7,8-double bond

+%           i    :  8,8a-double bond     j    :  1,8a-double bond

+%           k    :  4a,8a-double bond

+%           A    :  aromatic circle      B    :  aromatic circle

+%           {n+}       :  plus at the n-nitrogen atom (n = 1 to 10)

+% \end{verbatim}

+%

+% The |ATOMLIST| argument contains one or more heteroatom descriptors 

+% which are separated from each other by a semicolon.  Each heteroatom 

+% descriptor consists of a locant number and a heteroatom, 

+% where these are separated with a double equality symbol. 

+%

+% \begin{verbatim}

+%     ATOMLIST: list of heteroatoms (max 10 atoms)

+%

+%       for n = 1 to 8

+%

+%            n         : Hetero atom, e.g. N, O, etc. at n-position

+%                        e.g. 1==N for N at 1-position

+%            na        : Hetero atom at 4a or 8b (n=4 or 8)

+%                        e.g. 4a==N (or 9==N) for N at 4a-position

+%                             8a==N (or {{10}}==N) for N at 8a-position

+% \end{verbatim}

+%

+% The |SUBSLIST| argument contains one or more substitution descriptors 

+% which are separated from each other by a semicolon.  Each substitution 

+% descriptor has a locant number with a bond modifier and a substituent, 

+% where these are separated with a double equality symbol. 

+%

+% \begin{verbatim}

+%     SUBSLIST: list of substituents

+%

+%       for n = 1 to 8

+%

+%           nD         :  exocyclic double bond at n-atom

+%           n or nS    :  exocyclic single bond at n-atom

+%           nA         :  alpha single bond at n-atom

+%           nB         :  beta single bond at n-atom

+%           nSA        :  alpha single bond at n-atom (boldface)

+%           nSB        :  beta single bond at n-atom (dotted line)

+%           nSa        :  alpha (not specified) single bond at n-atom

+%           nSb        :  beta (not specified) single bond at n-atom

+%

+%           nSd        :  alpha single bond at n-atom (dotted line) 

+%                           with an alternative direction to nSA 

+%           nSu        :  beta single bond at n-atom (boldface) 

+%                           with an alternative direction to nSB 

+%           nFA        :  alpha single bond at n-atom (dotted line) 

+%                           for ring fusion 

+%           nFB        :  beta single bond at n-atom (boldface) 

+%                           for ring fusion 

+%           nGA        :  alpha single bond at n-atom (dotted line) 

+%                           for the other ring fusion 

+%           nGB        :  beta single bond at n-atom (boldface) 

+%                           for the other ring fusion 

+%

+%       for 9 (4a position) and 10 (8a position)

+%

+%           nD         :  exocyclic double bond at n-atom

+%           n or nS    :  exocyclic single bond at n-atom

+%           nA         :  alpha single bond at n-atom

+%           nB         :  beta single bond at n-atom

+% \end{verbatim}

+%

+% The argument |OMIT| represents one or more bonds to be omitted. 

+% The omitted edges may be regarded as both fused and non-fused 

+% positions. 

+%

+% \begin{verbatim}

+%     OMIT:  one or more bonds omitted (a to k: see BONDLIST)

+% \end{verbatim}

+%

+% Several examples are shown as follows.

+% \begin{verbatim}

+%       e.g. 

+%        

+%        \decaheterov{1==N}{1==Cl;2==F}

+%        \decaheterov[c]{1==N}{1==Cl;4==F;2==CH$_{3}$}

+%        \decaheterov[eb]{1==N}{1D==O;4SA==MeO;4SB==OMe;5==Cl;6==Cl}

+% \end{verbatim}

+%

+% The definition of |\decaheterov| uses a picture environment and 

+% consists of the same unit processes as shown in |\sixheterov|: 

+% \begin{enumerate}

+% \item treatment of atom list, 

+% \item placing outer skeletons, 

+% \item placing inner double bonds, 

+% \item setting hetero atoms, and 

+% \item placing substituents by using |\setsixringv| several times. 

+% \end{enumerate}

+% \changes{v1.02}{1998/10/31}{Adding \cs{ylposition}, \cs{if@ylsw},

+% \cs{yl@shifti}, \cs{@ylii}, \cs{yl@shiftii}, \cs{@ylii}, 

+% \cs{yl@xdiff} and \cs{yl@ydiff}}

+% \changes{v2.00}{1998/12/25}{Spiro rings and fused rings

+% \cs{test@vertix@sixv}, \cs{test@vertix@decav}, etc.}

+%

+% \begin{macro}{\decaheterov}

+% \begin{macro}{\@deca@heterov}

+% \begin{macro}{\@deca@@heterov}

+% \begin{macro}{\@decaheterov}

+%    \begin{macrocode}

+\def\decaheterov{\@ifnextchar({\@deca@heterov(@}{\@deca@heterov(@)}}

+\def\@deca@heterov(#1){\@ifnextchar[{\@deca@@heterov(#1)[@}%

+{\@deca@@heterov(#1)[@]}}

+\def\@deca@@heterov(#1)[#2]#3#4{\@ifnextchar[%

+{\@decaheterov(#1)[#2]{#3}{#4}[@}%

+{\@decaheterov(#1)[#2]{#3}{#4}[@]}}

+\def\@decaheterov(#1)[#2]#3#4[#5]{%

+%    \end{macrocode}

+%

+%    \begin{macrocode}

+% %%%%%%%%%%%%%%%%%%%%%%%%%%

+% % treatment of atom list %

+% %%%%%%%%%%%%%%%%%%%%%%%%%%

+\iniflag\iniatom%

+\test@vertix@sixv{#3}{a}{b}{c}{d}{e}{f}%

+\test@vertix@decav{#3}{g}{h}{i}{j}{@}{@}%

+% %%%%%%%%%%%%%%%%%%%%%%%

+% % adjustment for (yl) %

+% %%%%%%%%%%%%%%%%%%%%%%%

+\@reset@ylsw%

+\ylhetposition{#4}{0}{0}{5}{0}% %substituents on 1 to 4

+\if@ylsw \ifx\@@ylii\empty

+\def\@@ylii{-342}\def\@@yli{0}\fi

+\else

+\ylhetposition{#4}{-1}{3}{7}{0}% %substituents on 5 to 7

+\fi

+\if@ylsw \ifx\@@ylii\empty

+\def\@@ylii{0}\def\@@yli{0}\fi

+\else

+\ylhetposition{#4}{-7}{0}{2}{0}% %substituent on 8

+\fi

+\if@ylsw \ifx\@@ylii\empty

+\def\@@ylii{0}\def\@@yli{0}\fi

+\else

+{%

+\clipdetection%

+\@clipfusefalse \if@iclip \@clipfusetrue \fi%

+\ylatombondposition{#4}{-8}{7}%   %9 %for 4a position

+}%

+\fi

+\if@ylsw \ifx\@@ylii\empty

+\def\@@ylii{-171}\def\@@yli{-103}\fi

+\else

+{%

+\clipdetection%

+\@clipfusefalse \if@jclip \@clipfusetrue \fi%

+\ylatombondposition{#4}{-9}{1}%  %10 for 8a position

+}%

+\fi

+\if@ylsw \ifx\@@ylii\empty

+\def\@@ylii{-171}\def\@@yli{-303}\fi

+\fi

+\if@ylsw

+ \yl@shiftii=\@ylii

+ \yl@shifti=\@yli

+ \advance\yl@shiftii\@@ylii

+ \advance\yl@shifti\@@yli

+ \advance\yl@shiftii\yl@xdiff

+ \advance\yl@shifti\yl@ydiff

+ \begin{picture}(0,0)(-\yl@shiftii,-\yl@shifti)

+ \reset@yl@xydiff%1999/1/6 by S. Fujita

+\else

+ \begin{picture}(1200,880)(-\shiftii,-\shifti)%

+  \iforigpt \put(-\shiftii,-\shifti){\circle*{50}}%

+           \put(-\noshift,-\noshift){\circle{50}}% 

+   \typeout{command `decaheterov' origin: %

+    (\the\noshift,\the\noshift) ---> (\the\shiftii,\the\shifti)}\fi%

+\fi

+%    \end{macrocode}

+%

+%    \begin{macrocode}

+% %%%%%%%%%%%%%%%%%%

+% % outer skeleton %

+% %%%%%%%%%%%%%%%%%%

+\begingroup

+\resetbdsw%

+\@bond@@omit{#5}%

+{\let\fff=\jjj \let\eee=\iii%

+\put(342,0){\set@skel@bond{#1}{a}{a}}%

+  % bond between 1 and 2 \@aaa -> \skbonda etc

+\put(342,0){\set@skel@bond{#1}{b}{b}}%

+  % bond between 2 and 3 \@bbb -> \skbondb etc

+\put(342,0){\set@skel@bond{#1}{c}{c}}%

+  % bond between 3 and 4 \@ccc -> \skbondc etc

+\put(342,0){\set@skel@bond{#1}{d}{d}}%

+  % bond between 4 and 4a \@ddd -> \skbondd etc

+\put(342,0){\set@skel@bond{#1}{k}{e}}%

+  % bond between 4a and 8a \@kkk -> \skbonde etc

+\put(342,0){\set@skel@bond{#1}{j}{f}}%

+  % bond between 8a and 1 \@jjj -> \skbondf etc

+}%

+{\let\aaa=\hhh \let\ddd=\eee\let\eee=\fff\let\fff=\ggg%

+ \let\ccc=\iii\let\bbb=\jjj%

+\set@skel@bond{#1}{i}{a}% bond between 8 and 8a \@iii -> \skbonda etc

+\set@skel@bond{#1}{e}{c}% bond between 5 and 4a \@eee -> \skbondc etc

+\set@skel@bond{#1}{f}{d}% bond between 5 and 6 \@fff -> \skbondd etc

+\set@skel@bond{#1}{g}{e}% bond between 6 and 7 \@ggg -> \skbonde etc

+\set@skel@bond{#1}{h}{f}% bond between 7 and 8 \@hhh -> \skbondf etc

+}%

+\endgroup

+%    \end{macrocode}

+%

+%    \begin{macrocode}

+% %%%%%%%%%%%%%%%%%%%%%

+% % inner double bond %

+% %%%%%%%%%%%%%%%%%%%%%

+\@tfor\member:=#2\do{%

+\if\member r\relax%

+{\let\fff=\jjj \let\eee=\iii%

+ \put(342,0){\bonda}% bond between 1 and 2

+ \put(342,0){\bondc}% bond between 3 and 4

+}%

+{\let\aaa=\hhh \let\ddd=\eee\let\eee=\fff\let\fff=\ggg%

+ \let\ccc=\iii\let\bbb=\jjj%

+ \put(0,0){\bondb}% bond between 8a and 4a

+ \put(0,0){\bondf}% bond between 8 and 7

+ \put(0,0){\bondd}% bond between 5 and 6

+}%

+\else\if\member l\relax%

+\else\if\member a\relax%

+ \put(342,0){\bonda}% bond between 1 and 2

+\else\if\member b\relax

+ \put(342,0){\bondb}% bond between 2 and 3

+\else\if\member c\relax

+ \put(342,0){\bondc}% bond between 3 and 4

+\else\if\member d\relax%

+{\let\eee=\iii%

+ \put(342,0){\bondd}% bond between 4 and 4a

+}%

+\else\if\member e\relax%

+{\let\ccc=\iii \let\ddd=\eee%

+ \put(0,0){\bondc}% bond between 5 and 4a

+}%

+\else\if\member f\relax%

+{\let\ddd=\eee \let\eee=\fff%

+ \put(0,0){\bondd}% bond between 5 and 6

+}%

+\else\if\member g\relax%

+{\let\eee=\fff \let\fff=\ggg% 

+ \put(0,0){\bonde}% bond between 6 and 7

+}%

+\else\if\member h\relax%

+{\let\aaa=\hhh \let\fff=\ggg%

+ \put(0,0){\bondf}% bond between 8 and 7

+}%

+\else\if\member i\relax%

+{\let\aaa=\hhh \let\bbb=\jjj%

+ \put(0,0){\bonda}% bond between 8 and 8a

+}%

+\else\if\member j\relax%

+{\let\fff=\jjj%

+ \put(342,0){\bondf}% bond between 1 and 8a

+}%

+\else\if\member k\relax%

+{\let\ccc=\iii\let\bbb=\jjj%

+ \put(0,0){\bondb}% bond between 8a and 4a

+}%

+\else\if\member K\relax%

+{\let\eee=\iii\let\fff=\jjj%

+ \put(342,0){\bonde}% bond between 8a and 4a in the other ring

+}%

+\else\if\member A%left aromatic circle 

+  \put(0,203){\circle{240}}               %circle

+\else\if\member B%left aromatic circle 

+  \put(342,203){\circle{240}}             %circle

+\else

+  \expandafter\twoCH@@R\member//

+  \def\aax{8a}\def\aay{4a}\def\aaz{10}%

+      \if\@@tmpa 1\relax%                  % plus charge etc.

+        \putratom{304}{282}{\@@tmpb}%      % right type

+      \else\if\@@tmpa 2\relax%

+        \putratom{402}{253}{\@@tmpb}%      % right type

+      \else\if\@@tmpa 3\relax%

+        \putratom{402}{120}{\@@tmpb}%      % right type

+      \else\if\@@tmpa 4\relax%

+        \putratom{304}{68}{\@@tmpb}%       % right type

+      \else\if\@@tmpa 5\relax%

+        \putratom{-38}{68}{\@@tmpb}%       % right type

+      \else\if\@@tmpa 6\relax%

+        \putlatom{-60}{253}{\@@tmpb}%      % left type

+      \else\if\@@tmpa 7\relax%

+        \putlatom{-60}{120}{\@@tmpb}%      % left type

+      \else\if\@@tmpa 8\relax%

+        \putratom{-38}{282}{\@@tmpb}%      % right type

+      \else\if\@@tmpa 9\relax%

+        \putratom{60}{120}{\@@tmpb}%       % right type

+%      \else\if\@@tmpa 10\relax%

+      \else\ifx\@@tmpa\aaz\relax%1998/10/17

+        \putratom{60}{253}{\@@tmpb}%       % right type

+      \else\ifx\@@tmpa\aax\relax%

+        \putratom{60}{253}{\@@tmpb}%       % right type

+      \else\ifx\@@tmpa\aay\relax%

+        \putratom{60}{120}{\@@tmpb}%       % right type

+      \fi\fi\fi\fi\fi\fi\fi\fi\fi\fi\fi\fi%

+% ***********************

+% * setting fused rings *

+% ***********************

+   \expandafter\twoCH@R\member//%

+   \set@fusion@decav

+\fi\fi\fi\fi\fi\fi\fi\fi\fi\fi%

+\fi\fi\fi\fi\fi\fi%

+}%

+%    \end{macrocode}

+%

+% \changes{v2.00a}{2000/11/11}{The 

+% \cs{iniflag} command is added to 5- and 8-substitution.}

+%

+%    \begin{macrocode}

+% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%

+% % setting hetero atoms and spiro rings %

+% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%

+\iniflag

+\put(342,0){\set@hetatom@sixv{#3}{0}{0}{5}{0}%

+   \if@aclip \global\@acliptrue\fi

+   \if@bclip \global\@bcliptrue\fi

+   \if@cclip \global\@ccliptrue\fi

+   \if@clip \global\@cliptrue\fi}% %substituents on 1 to 4

+\put(0,0){\iniflag%2000/11/11 by S. Fujita

+   \set@hetatom@sixv{#3}{-1}{3}{7}{0}%

+   \@gclipfalse \if@fclip \global\@gcliptrue \fi%

+   \@fclipfalse \if@eclip \global\@fcliptrue \fi%

+   \@eclipfalse \if@clip \global\@ecliptrue \fi}%substituents on 5 to 7

+\put(0,0){\iniflag%2000/11/11 by S. Fujita

+  \set@hetatom@sixv{#3}{-7}{0}{2}{0}%

+  \@hclipfalse \if@aclip \global\@hcliptrue \fi}%%substituent on 8

+\put(0,0){\set@vrtx@fuse{#3}%

+  \if@iclip \global\@icliptrue \fi

+  \if@jclip \global\@jcliptrue \fi}% fused positions

+%    \end{macrocode}

+%

+%    \begin{macrocode}

+% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%

+% % setting substituents and exocyclic bonds %

+% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%

+\put(342,0){\setsixringv{#4}{0}{0}{5}{0}}% %substituents on 1 to 4

+{%

+ \@clipfalse \if@eclip \@cliptrue \fi%   %substituents on 5 to 7

+ \@eclipfalse \if@fclip \@ecliptrue \fi%

+ \@fclipfalse \if@gclip \@fcliptrue \fi%

+\put(0,0){\setsixringv{#4}{-1}{3}{7}{0}}%

+}%

+{\@aclipfalse \if@hclip \@acliptrue \fi%   %substituent on 8

+\put(0,0){\setsixringv{#4}{-7}{0}{2}{0}}%

+}%

+{\@clipfusefalse \if@iclip \@clipfusetrue \fi%

+ \put(171,103){\setatombond{#4}{-8}{7}}%   %9 %for 4a position

+}%

+{\@clipfusefalse \if@jclip \@clipfusetrue \fi%

+  \put(171,303){\setatombond{#4}{-9}{1}}%  %10 for 8a position

+}%

+\end{picture}\iniatom\iniflag}%     %end of \decaheterov macro

+%    \end{macrocode}

+% \end{macro}

+% \end{macro}

+% \end{macro}

+% \end{macro}

+%

+% The |\clipdetection| command is used for the detection of 

+% clippings for a six-six ring.  In particular, the clippings 

+% at the fused positions are detected in the |\decaheterov| command, 

+% where the data are applied to the command 

+% |\ylatombondposition| (chemstr.dtx). 

+% \changes{v1.02}{1998/10/16}{Newly added command}

+%

+% \begin{macro}{\clipdetection}

+%    \begin{macrocode}

+\def\clipdetection{%

+% hetero atom on 1

+\ifx\aaa\empty\else%

+     \@acliptrue%

+\fi%

+% hetero atom on 2

+\ifx\bbb\empty\else%

+     \@bcliptrue%

+\fi%

+% hetero atom on 3

+\ifx\ccc\empty\else%

+     \@ccliptrue%

+\fi%

+% hetero atom on 4

+\ifx\ddd\empty\else%

+   \@cliptrue%

+\fi%

+% hetero atom on 4a

+{\let\eee=\iii%

+\ifx\eee\empty\else%

+     \global\@icliptrue%

+\fi%

+}%

+% hetero atom on 8a

+{\let\fff=\jjj%

+\ifx\fff\empty\else%

+     \global\@jcliptrue%

+\fi%

+}%

+% hetero atom on 5

+{\let\ddd=\eee%

+\ifx\ddd\empty\else

+   \global\@ecliptrue%

+\fi%

+}%

+% hetero atom on 6

+{\let\eee=\fff%

+\ifx\eee\empty\else%

+     \global\@fcliptrue%

+\fi%

+}%

+% hetero atom on 7

+{\let\fff=\ggg%

+\ifx\fff\empty\else%

+     \global\@gcliptrue%

+\fi%

+}%

+% hetero atom on 8

+{\let\aaa=\hhh%

+\ifx\aaa\empty\else%

+     \global\@hcliptrue%

+\fi%

+}}% end \clipdetection

+%    \end{macrocode}

+% \end{macro}

+%

+% The command |\ylhetposition| is used in the |\decaheterov| command, 

+% giving the sift values for drawing a structure as a substituent. 

+% \changes{v1.02}{1998/10/16}{Newly added command}

+%

+% \begin{macro}{\ylhetposition}

+%    \begin{macrocode}

+\def\ylhetposition#1#2#3#4#5{%

+\@@ylswfalse%%%\@reset@ylsw

+\@forsemicol\member:=#1\do{%

+\if@@ylsw\else%

+\ifx\member\empty\else%

+\expandafter\@m@mb@r\member;\relax%

+\expandafter\threech@r\@membera{}{}\relax%

+\ifx\@memberb\@yl\relax\@@ylswtrue\else\@@ylswfalse\fi

+\if@@ylsw

+\ifnum#5<0\relax%

+\@tmpaa=-\@tmpa\relax \advance\@tmpaa by#2\relax%

+\else\@tmpaa=\@tmpa\relax \advance\@tmpaa by#2\relax\fi

+\ifnum\@tmpaa>#3\relax%

+\ifnum\@tmpaa<#4\relax%

+\ifcase\@tmpaa%0 omit

+%    \end{macrocode}

+%

+% The flags |\@lyatrue| etc are not used in a revised edition. 

+%

+%    \begin{macrocode}

+ \or

+    \ifx\aaa\empty

+     \ifx\hhh\empty% aaa and hhh are absent

+       \gdef\@ylii{0}\gdef\@yli{-406}\global\@ylswtrue%\@ylatrue% subst. on 1

+     \else% hhh is present

+       \def\@ylii{0}\def\@yli{-442}\@ylswtrue%\@ylatrue% subst. on 1

+     \fi

+    \else%aaa is present

+      \def\@ylii{0}\def\@yli{-442}\@ylswtrue%\@ylatrue% subst. on 1

+    \fi

+ \or\ifx\bbb\empty

+      \def\@ylii{-171}\def\@yli{-303}\@ylswtrue%\@ylbtrue% subst. on 2

+%      \def\@ylii{-513}\def\@yli{-303}\@ylswtrue%\@ylbtrue% subst. on 2

+    \else

+      \def\@ylii{-213}\def\@yli{-327}\@ylswtrue%\@ylbtrue% subst. on 2

+%      \def\@ylii{-555}\def\@yli{-327}\@ylswtrue%\@ylbtrue% subst. on 2

+    \fi

+ \or\ifx\ccc\empty

+      \def\@ylii{-171}\def\@yli{-103}\@ylswtrue%\@ylctrue% subst. on 3

+%      \def\@ylii{-513}\def\@yli{-103}\@ylswtrue%\@ylctrue% subst. on 3

+    \else

+      \def\@ylii{-213}\def\@yli{-79}\@ylswtrue%\@ylctrue% subst. on 3

+%      \def\@ylii{-555}\def\@yli{-79}\@ylswtrue%\@ylctrue% subst. on 3

+    \fi

+ \or\ifx\ddd\empty

+     \ifx\eee\empty% ddd and eee are absent

+       \gdef\@ylii{0}\gdef\@yli{0}\global\@ylswtrue%\@yldtrue% subst. on 4

+      \else% eee present

+       \gdef\@ylii{0}\gdef\@yli{36}\global\@ylswtrue%\@yldtrue% subst. on 4

+     \fi

+    \else% ddd present

+      \gdef\@ylii{0}\gdef\@yli{36}\global\@ylswtrue%\@yldtrue% subst. on 4

+    \fi

+ \or

+    \ifx\eee\empty

+     \ifx\iii\empty

+      \ifx\fff\empty% eee, iii and fff are absent

+        \def\@ylii{173}\def\@yli{-103}\@ylswtrue%\@yletrue% subst. on 5

+      \else% fff is present 

+        \def\@ylii{213}\def\@yli{-79}\@ylswtrue%\@yletrue% subst. on 5

+      \fi

+%     \else% iii is present; fused position => no action here

+%        \def\@ylii{0}\def\@yli{-36}\@ylswtrue%\@yletrue% subst. on 5

+     \fi

+    \else% eee is present

+       \def\@ylii{213}\def\@yli{-79}\@ylswtrue%\@yletrue% subst. on 5

+   \fi

+ \or

+    \ifx\fff\empty

+     \ifx\jjj\empty

+      \ifx\ggg\empty% fff, jjj, and ggg are absent

+        \def\@ylii{173}\def\@yli{-303}\@ylswtrue%\@ylftrue% subst. on 6

+      \else%ggg is present

+        \def\@ylii{213}\def\@yli{-327}\@ylswtrue%\@ylftrue% subst. on 6

+      \fi

+%     \else%jjj is present; fused position => no action here

+%       \def\@ylii{213}\def\@yli{-327}\@ylswtrue%\@ylftrue% subst. on 6

+     \fi

+    \else%fff is present

+      \def\@ylii{213}\def\@yli{-327}\@ylswtrue%\@ylftrue% subst. on 6

+    \fi%

+\fi%end of ifcase

+\fi\fi\fi\fi\fi}}%

+%    \end{macrocode}

+% \end{macro}

+%

+% \subsection{Inverse vertical type}

+%

+% The standard skeleton of a six-to-six fused heterocycle is selected 

+% to have the following locant numbers. 

+%

+% \begin{verbatim}

+% **********************************

+% * decahetero derivatives         *

+% *  (vertical type, inverse type) *

+% **********************************

+% The following numbering is adopted in this macro. 

+%

+%          5 (9) 4

+%          *  4a *

+%     6  *   * *   *  3

+%       |     |     |

+%       |     |     |

+%     7  *   * *   *  2

+%          *  8a *

+%          8 (10)1

+%          ^

+%          |

+%          the original point

+% \end{verbatim}

+%

+% The macro |\decaheterovi| has two arguments |ATOMLIST| and |SUBSLIST| 

+% as well as an optional argument |BONDLIST|.  

+% Two optional arguments |SKBONDLIST| and |OMIT| are added to 

+% treat stereochemical information or other bond situations. 

+%

+% \begin{verbatim}

+%   \decaheterovi(SKBONDLIST)[BONDLIST]{ATOMLIST}{SUBSLIST}[OMIT]

+% \end{verbatim}

+%

+% The |SKBONDLIST| argument contains pairs of two alphabets in 

+% parentheses, e.g. (\{bA\}\{fB\}).  Each pair contains a lowercase 

+% character selected from bond specifiers `a' to `k' and a uppercase

+% character `A' or `B'. 

+%

+% The |BONDLIST| argument contains one 

+% character selected from a to k, each of which indicates the presence of 

+% an inner (endcyclic) double bond on the corresponding position. 

+% The options `A' and `B' represent aromatic circles in two rings. 

+% The option `$n+$' ($n=1$ to $10$) represents a plus charge on a hetero atom 

+% at the $n$-position. 

+%

+% \begin{verbatim}  

+%     BONDLIST:  list of bonds 

+%

+%           none or r  :  decahetero (right-handed)

+%           l          :  decahetero (left-handed)

+%           []         :  fully saturated form

+%           a    :  1,2-double bond      b    :  2,3-double bond

+%           c    :  4,3-double bond      d    :  4,4a-double bond

+%           e    :  4a,5-double bond     f    :  5,6-double bond

+%           g    :  6,7-double bond      h    :  7,8-double bond

+%           i    :  8,8a-double bond     j    :  1,8a-double bond

+%           k    :  4a,8a-double bond

+%           K    :  4a,8a-double bond in the other ring

+%           A    :  aromatic circle      B    :  aromatic circle

+%           {n+}       :  plus at the n-nitrogen atom (n = 1 to 10)

+% \end{verbatim}

+%

+% The |ATOMLIST| argument contains one or more heteroatom descriptors 

+% which are separated from each other by a semicolon.  Each heteroatom 

+% descriptor consists of a locant number and a heteroatom, 

+% where these are separated with a double equality symbol. 

+%

+% \begin{verbatim}

+%     ATOMLIST: list of heteroatoms (max 10 atoms)

+%

+%       for n = 1 to 8

+%

+%            n         : Hetero atom, e.g. N, O, etc. at n-position

+%                        e.g. 1==N for N at 1-position

+%            na        : Hetero atom at 4a or 8b (n=4 or 8)

+%                        e.g. 4a==N (or 9==N) for N at 4a-position

+%                             8a==N (or {{10}}==N) for N at 8a-position

+% \end{verbatim}

+%

+% The |SUBSLIST| argument contains one or more substitution descriptors 

+% which are separated from each other by a semicolon.  Each substitution 

+% descriptor has a locant number with a bond modifier and a substituent, 

+% where these are separated with a double equality symbol. 

+%

+% \begin{verbatim}

+%     SUBSLIST: list of substituents

+%

+%       for n = 1 to 8

+%

+%           nD         :  exocyclic double bond at n-atom

+%           n or nS    :  exocyclic single bond at n-atom

+%           nA         :  alpha single bond at n-atom

+%           nB         :  beta single bond at n-atom

+%           nSA        :  alpha single bond at n-atom (boldface)

+%           nSB        :  beta single bond at n-atom (dotted line)

+%           nSa        :  alpha (not specified) single bond at n-atom

+%           nSb        :  beta (not specified) single bond at n-atom

+%

+%           nSd        :  alpha single bond at n-atom (dotted line) 

+%                           with an alternative direction to nSA 

+%           nSu        :  beta single bond at n-atom (boldface) 

+%                           with an alternative direction to nSB 

+%           nFA        :  alpha single bond at n-atom (dotted line) 

+%                           for ring fusion 

+%           nFB        :  beta single bond at n-atom (boldface) 

+%                           for ring fusion 

+%           nGA        :  alpha single bond at n-atom (dotted line) 

+%                           for the other ring fusion 

+%           nGB        :  beta single bond at n-atom (boldface) 

+%                           for the other ring fusion 

+%

+%       for 9 (4a position) and 10 (8a position)

+%

+%           nD         :  exocyclic double bond at n-atom

+%           n or nS    :  exocyclic single bond at n-atom

+%           nA         :  alpha single bond at n-atom

+%           nB         :  beta single bond at n-atom

+% \end{verbatim}

+%

+% The argument |OMIT| represents one or more bonds to be omitted. 

+% The omitted edges may be regarded as both fused and non-fused 

+% positions. 

+%

+% \begin{verbatim}

+%     OMIT:  one or more bonds omitted (a to k: see BONDLIST)

+% \end{verbatim}

+%

+% Several examples are shown as follows.

+% \begin{verbatim}

+%       e.g. 

+%        

+%        \decaheterovi{1==N}{1==Cl;2==F}

+%        \decaheterovi[c]{1==N}{1==Cl;4==F;2==CH$_{3}$}

+%        \decaheterovi[eb]{1==N}{1D==O;4SA==MeO;4SB==OMe;5W==Cl;6==Cl}

+% \end{verbatim}

+%

+% The definition of |\decaheterovi| uses a picture environment and 

+% consists of the same unit processes as shown in |\sixheterovi|: 

+% \begin{enumerate}

+% \item treatment of atom list, 

+% \item placing outer skeletons, 

+% \item placing inner double bonds, 

+% \item setting hetero atoms, and 

+% \item placing substituents by using |\setsixringv| several times. 

+% \end{enumerate}

+% \changes{v1.02}{1998/10/31}{Adding \cs{ylposition}, \cs{if@ylsw},

+% \cs{yl@shifti}, \cs{@ylii}, \cs{yl@shiftii}, \cs{@ylii}, 

+% \cs{yl@xdiff} and \cs{yl@ydiff}}

+% \changes{v2.00}{1998/12/25}{Spiro rings and fused rings: 

+% \cs{test@vertix@decavi}, etc.}

+%

+% \begin{macro}{\decaheterovi}

+% \begin{macro}{\@deca@heterovi}

+% \begin{macro}{\@deca@@heterovi}

+% \begin{macro}{\@decaheterovi}

+%    \begin{macrocode}

+\def\decaheterovi{\@ifnextchar({\@deca@heterovi(@}{\@deca@heterovi(@)}}

+\def\@deca@heterovi(#1){\@ifnextchar[{\@deca@@heterovi(#1)[@}%

+{\@deca@@heterovi(#1)[@]}}

+\def\@deca@@heterovi(#1)[#2]#3#4{\@ifnextchar[%

+{\@decaheterovi(#1)[#2]{#3}{#4}[@}%

+{\@decaheterovi(#1)[#2]{#3}{#4}[@]}}

+\def\@decaheterovi(#1)[#2]#3#4[#5]{%

+%    \end{macrocode}

+%

+%    \begin{macrocode}

+% %%%%%%%%%%%%%%%%%%%%%%%%%%

+% % treatment of atom list %

+% %%%%%%%%%%%%%%%%%%%%%%%%%%

+\iniflag\iniatom%

+%%\test@vertix@sixv{#3}{d}{c}{b}{a}{h}{g}%

+%%\test@vertix@decav{#3}{f}{e}{i}{j}{@}{@}%{i}{j} fixed

+\test@vertix@decavi{#3}%

+%

+% %%%%%%%%%%%%%%%%%%%%%%%

+% % adjustment for (yl) %

+% %%%%%%%%%%%%%%%%%%%%%%%

+\@reset@ylsw%

+\ylhetposition{#4}{5}{0}{5}{-1}% %substituents on 1 to 4

+\if@ylsw \ifx\@@ylii\empty

+\def\@@ylii{-342}\def\@@yli{0}\fi

+\else

+\ylhetposition{#4}{12}{3}{7}{-1}% %substituents on 6 to 8

+\fi

+\if@ylsw \ifx\@@ylii\empty

+\def\@@ylii{0}\def\@@yli{0}\fi

+\else

+\ylhetposition{#4}{-4}{0}{2}{0}% %substituent on 5

+\fi

+\if@ylsw \ifx\@@ylii\empty

+\def\@@ylii{0}\def\@@yli{0}\fi

+\else

+{%

+\clipdetection%

+\@clipfusefalse \if@iclip \@clipfusetrue \fi%

+ \ylatombondposition{#4}{-9}{7}%  %10 for 8a position

+}%

+\fi

+\if@ylsw \ifx\@@ylii\empty

+\def\@@ylii{-171}\def\@@yli{-103}\fi

+\else

+{%

+\clipdetection%

+\@clipfusefalse \if@jclip \@clipfusetrue \fi%

+\ylatombondposition{#4}{-8}{1}%   %9 for 4a position

+}%

+\fi

+\if@ylsw \ifx\@@ylii\empty

+\def\@@ylii{-171}\def\@@yli{-303}\fi

+\fi

+\if@ylsw

+ \yl@shiftii=\@ylii

+ \yl@shifti=\@yli

+ \advance\yl@shiftii\@@ylii

+ \advance\yl@shifti\@@yli

+ \advance\yl@shiftii\yl@xdiff

+ \advance\yl@shifti\yl@ydiff

+ \begin{picture}(0,0)(-\yl@shiftii,-\yl@shifti)

+ \reset@yl@xydiff%1999/1/6 by S. Fujita

+\else

+ \begin{picture}(1200,880)(-\shiftii,-\shifti)%

+  \iforigpt \put(-\shiftii,-\shifti){\circle*{50}}%

+           \put(-\noshift,-\noshift){\circle{50}}% 

+   \typeout{command `decaheterovi' origin: %

+    (\the\noshift,\the\noshift) ---> (\the\shiftii,\the\shifti)}\fi%

+\fi

+%    \end{macrocode}

+%

+%    \begin{macrocode}

+% %%%%%%%%%%%%%%%%%%

+% % outer skeleton %

+% %%%%%%%%%%%%%%%%%%

+\begingroup

+\resetbdsw%

+\@bond@@omit{#5}%

+{\let\fff=\jjj \let\eee=\iii%

+\put(342,0){\set@skel@bond{#1}{c}{a}}%

+  % bond between 1 and 2 \@aaa -> \skbonda etc

+\put(342,0){\set@skel@bond{#1}{b}{b}}%

+  % bond between 2 and 3 \@bbb -> \skbondb etc

+\put(342,0){\set@skel@bond{#1}{a}{c}}%

+  % bond between 3 and 4 \@ccc -> \skbondc etc

+\put(342,0){\set@skel@bond{#1}{j}{d}}%

+  % bond between 4 and 4a \@ddd -> \skbondd etc

+\put(342,0){\set@skel@bond{#1}{k}{e}}%

+  % bond between 4a and 8a \@kkk -> \skbonde etc

+\put(342,0){\set@skel@bond{#1}{d}{f}}%

+  % bond between 8a and 1 \@jjj -> \skbondf etc

+}%

+{\let\aaa=\hhh \let\ddd=\eee\let\eee=\fff\let\fff=\ggg%

+ \let\ccc=\iii\let\bbb=\jjj%

+\set@skel@bond{#1}{e}{a}% bond between 8 and 8a \@eee -> \skbonda etc

+\set@skel@bond{#1}{i}{c}% bond between 5 and 4a \@iii -> \skbondc etc

+\set@skel@bond{#1}{h}{d}% bond between 5 and 6 \@hhh -> \skbondd etc

+\set@skel@bond{#1}{g}{e}% bond between 6 and 7 \@ggg -> \skbonde etc

+\set@skel@bond{#1}{f}{f}% bond between 7 and 8 \@fff -> \skbondf etc

+}%

+\endgroup

+%    \end{macrocode}

+%

+%    \begin{macrocode}

+% %%%%%%%%%%%%%%%%%%%%%

+% % inner double bond %

+% %%%%%%%%%%%%%%%%%%%%%

+\@tfor\member:=#2\do{%

+\if\member r\relax%

+{\let\fff=\jjj \let\eee=\iii%

+ \put(342,0){\bonda}% bond between 1 and 2

+ \put(342,0){\bondc}% bond between 3 and 4

+}%

+{\let\aaa=\hhh \let\ddd=\eee\let\eee=\fff\let\fff=\ggg%

+ \let\ccc=\iii\let\bbb=\jjj%

+ \put(0,0){\bondb}% bond between 8a and 4a

+ \put(0,0){\bondf}% bond between 8 and 7

+ \put(0,0){\bondd}% bond between 5 and 6

+}%

+\else\if\member l\relax%

+\else\if\member a\relax%

+ \put(342,0){\bondc}% bond between 3 and 4

+\else\if\member b\relax%

+ \put(342,0){\bondb}% bond between 2 and 3

+\else\if\member c\relax%

+ \put(342,0){\bonda}% bond between 1 and 2

+\else\if\member d\relax%

+{\let\fff=\jjj%

+ \put(342,0){\bondf}% bond between 1 and 8a

+}%

+\else\if\member e\relax%

+{\let\aaa=\hhh \let\bbb=\jjj%

+ \put(0,0){\bonda}% bond between 8 and 8a

+}%

+\else\if\member f\relax%

+{\let\aaa=\hhh \let\fff=\ggg%

+ \put(0,0){\bondf}% bond between 8 and 7

+}%

+\else\if\member g\relax%

+{\let\eee=\fff \let\fff=\ggg% 

+ \put(0,0){\bonde}% bond between 6 and 7

+}%

+\else\if\member h\relax%

+{\let\ddd=\eee \let\eee=\fff%

+ \put(0,0){\bondd}% bond between 5 and 6

+}%

+\else\if\member i\relax%

+{\let\ccc=\iii \let\ddd=\eee%

+ \put(0,0){\bondc}% bond between 5 and 4a

+}%

+\else\if\member j\relax%

+{\let\eee=\iii%

+ \put(342,0){\bondd}% bond between 4 and 4a

+}%

+\else\if\member k\relax%

+{\let\ccc=\iii\let\bbb=\jjj%

+ \put(0,0){\bondb}% bond between 8a and 4a

+}%

+\else\if\member K\relax%

+{\let\eee=\iii\let\fff=\jjj%

+ \put(342,0){\bonde}% bond between 8a and 4a in the other ring

+}%

+\else\if\member A%left aromatic circle 

+  \put(0,203){\circle{240}}               %circle

+\else\if\member B%left aromatic circle 

+  \put(342,203){\circle{240}}             %circle

+\else

+  \expandafter\twoCH@@R\member//%

+  \def\aax{4a}\def\aay{8a}\def\aaz{10}%

+      \if\@@tmpa 4\relax%                  % plus charge etc.

+        \putratom{304}{282}{\@@tmpb}%      % right type

+      \else\if\@@tmpa 3\relax%

+        \putratom{402}{253}{\@@tmpb}%      % right type

+      \else\if\@@tmpa 2\relax%

+        \putratom{402}{120}{\@@tmpb}%      % right type

+      \else\if\@@tmpa 1\relax%

+        \putratom{304}{68}{\@@tmpb}%       % right type

+      \else\if\@@tmpa 7\relax%

+        \putlatom{-60}{253}{\@@tmpb}%      % left type

+      \else\if\@@tmpa 6\relax%

+        \putlatom{-60}{120}{\@@tmpb}%      % left type

+      \else\if\@@tmpa 5\relax%

+        \putratom{-38}{282}{\@@tmpb}%      % right type

+      \else\if\@@tmpa 9\relax%

+        \putratom{60}{253}{\@@tmpb}%       % right type

+      \else\ifx\@@tmpa\aax\relax%

+        \putratom{60}{253}{\@@tmpb}%       % right type

+      \else\ifx\@@tmpa\aay\relax%

+        \putratom{60}{120}{\@@tmpb}%       % right type

+      \else\ifx\@@tmpa\aaz\relax% 1998/10/17 by S. Fujita

+%      \else\if\@@tmpa 10\relax%

+        \putratom{60}{120}{\@@tmpb}%       % right type

+      \else\if\@@tmpa 8\relax%

+        \putratom{-38}{68}{\@@tmpb}%       % right type

+      \fi\fi\fi\fi\fi\fi\fi\fi\fi\fi\fi\fi%

+% ***********************

+% * setting fused rings *

+% ***********************

+   \expandafter\twoCH@R\member//%

+   \set@fusion@decavi

+\fi\fi\fi\fi\fi\fi\fi\fi\fi\fi%

+\fi\fi\fi\fi\fi\fi%

+}%

+%    \end{macrocode}

+%

+%    \begin{macrocode}

+% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%

+% % setting hetero atoms and spiro rings %

+% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%

+\iniflag\iniatom%

+\@tmpclipfalse

+\put(0,0){\set@hetatom@sixv{#3}{12}{3}{7}{-1}%

+ \@gclipfalse \if@fclip \global\@gcliptrue \fi%

+ \@fclipfalse \if@eclip \global\@fcliptrue \fi%      

+ \@eclipfalse \if@clip \global\@ecliptrue \fi%

+}%substituents on 6 to 8

+\put(0,0){\set@hetatom@sixv{#3}{-4}{0}{2}{0}%

+ \@aclipfalse \if@aclip \global\@hcliptrue \fi%

+}%%substituent on 5

+\put(0,0){\set@vrtx@decafusevi{#3}%

+  \@tmpclipfalse

+  \if@iclip \global\@tmpcliptrue \fi

+  \if@jclip \global\@icliptrue \fi

+  \if@tmpclip \global\@jcliptrue \fi

+}% fused positions

+%to be done after all

+\put(342,0){\set@hetatom@sixv{#3}{5}{0}{5}{-1}%

+   \if@aclip \global\@acliptrue\fi

+   \if@bclip \global\@bcliptrue\fi

+   \if@cclip \global\@ccliptrue\fi

+   \if@clip \global\@cliptrue\fi

+}% %substituents on 1 to 4

+%    \end{macrocode}

+%

+%    \begin{macrocode}

+% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%

+% % setting substituents and exocyclic bonds %

+% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%

+\put(342,0){\setsixringv{#4}{5}{0}{5}{-1}}% %substituents on 1 to 4

+{\@clipfalse \if@eclip \@cliptrue \fi%      %substituents on 6 to 8

+ \@eclipfalse \if@fclip \@ecliptrue \fi%

+ \@fclipfalse \if@gclip \@fcliptrue \fi%

+\put(0,0){\setsixringv{#4}{12}{3}{7}{-1}}%

+}

+{\@aclipfalse \if@hclip \@acliptrue \fi%    %substituent on 5

+\put(0,0){\setsixringv{#4}{-4}{0}{2}{0}}%

+}%

+{\@clipfusefalse \if@iclip \@clipfusetrue \fi%

+ \put(171,103){\setatombond{#4}{-9}{7}}%    %10 for 8a position

+}%

+{\@clipfusefalse \if@jclip \@clipfusetrue \fi%

+  \put(171,303){\setatombond{#4}{-8}{1}}%   %9 for 4a position

+}%

+\end{picture}\iniatom\iniflag}%   %end of \decaheterovi macro

+%    \end{macrocode}

+% \end{macro}

+% \end{macro}

+% \end{macro}

+% \end{macro}

+%

+% The macro |\test@vertix@decavi| is used to test the presence of 

+% a hetero atom or a spiro substituent on a vertex of the 

+% decaheterovi nucleus. 

+%

+% \begin{macro}{\if@tmpclip}

+% \begin{macro}{\test@vertix@decavi}

+%    \begin{macrocode}

+\newif\if@tmpclip \@tmpclipfalse

+\def\test@vertix@decavi#1{%

+\@forsemicol\member:=#1\do{%

+\ifx\member\empty\else%

+\expandafter\@m@mb@r\member;\relax%

+\expandafter\twoch@r\@membera{}%

+\ifcase\@tmpa%

+ \or%

+   \if\@tmpb s\relax\def\ddd{}\else\def\ddd{@}\fi

+ \or%2

+   \if\@tmpb s\relax\def\ccc{}\else\def\ccc{@}\fi

+ \or%3

+   \if\@tmpb s\relax\def\bbb{}\else\def\bbb{@}\fi

+ \or%

+   \if\@tmpb a%

+     \def\jjj{@}%4a

+   \else\if\@tmpb s%

+     \def\aaa{}%4

+   \else\if\@tmpb h%

+     \def\aaa{@}%4

+   \else\ifx\@tmpb\empty%

+     \def\aaa{@}%4

+   \fi\fi\fi\fi%

+ \or%5

+   \if\@tmpb s\relax\def\hhh{}\else\def\hhh{@}\fi

+ \or%6

+   \if\@tmpb s\relax\def\ggg{}\else\def\ggg{@}\fi

+ \or%7

+   \if\@tmpb s\relax\def\fff{}\else\def\fff{@}\fi

+ \or%

+   \if\@tmpb a%

+     \xdef\iii{@}%8a

+   \else\if\@tmpb s%

+     \xdef\eee{}%8s

+   \else\if\@tmpb h%

+     \xdef\eee{@}%8h

+   \else\ifx\@tmpb\empty%

+     \xdef\eee{@}%8

+   \fi\fi\fi\fi%

+\or%9 (= 4a)

+   \if\@tmpb s\relax\def\jjj{}\else\def\jjj{@}\fi

+\or%10 (= 8a)

+   \if\@tmpb s\relax\def\iii{}\else\def\iii{@}\fi

+\fi\fi}}

+%    \end{macrocode}

+% \end{macro}

+% \end{macro}

+%

+% The macro |\set@vrtx@decafusevi| is used to set 

+% a hetero atom or on a vertex of a bridgehead location.  

+%

+% \begin{macro}{\set@vrtx@decafusevi}

+%    \begin{macrocode}

+\def\set@vrtx@decafusevi#1{%

+\@forsemicol\member:=#1\do{%

+\ifx\member\empty\else%

+\expandafter\@m@mb@r\member;\relax%

+\expandafter\twoch@r\@membera{}%

+\ifcase\@tmpa\or\or\or

+ \or%%%%4

+   \if\@tmpb a%

+     \global\@icliptrue%

+     \putlatom{207}{280}{\@memberb}% % left type

+   \else\relax

+   \fi

+ \or\or\or

+ \or%8

+   \if\@tmpb a%

+     \global\@jcliptrue%

+     \putlatom{207}{65}{\@memberb}%  % left type

+   \else\relax

+   \fi

+\or%9 (= 4a)

+     \global\@icliptrue%

+     \putlatom{207}{280}{\@memberb}% % left type

+\or%10 (= 8a)

+     \global\@jcliptrue%

+     \putlatom{207}{65}{\@memberb}%  % left type

+\fi\fi}%

+}% end of the macro \set@vrtx@decafusevi

+%    \end{macrocode}

+% \end{macro}

+%

+% The macro |\set@fusion@decavi| is used to set 

+% a fused ring or on an edge of the decaheterovi nucleus. 

+%

+% \begin{macro}{\set@fusion@decavi}

+%    \begin{macrocode}

+\def\set@fusion@decavi{%

+  \let\@@tmpa=\@tmpa

+  \let\@@tmpb=\@tmpb

+  \if\@tmpa a%

+      \let\@@tmpa=\@tmpa

+      \put(342,0){\set@fusionadd@sixvi}%

+  \else\if\@tmpa A%

+      \let\@@tmpa=\@tmpa

+      \put(342,0){\set@fusionadd@sixvi}%

+  \else\if\@tmpa b%

+      \let\@@tmpa=\@tmpa

+      \put(342,0){\set@fusionadd@sixvi}%

+  \else\if\@tmpa B%

+      \let\@@tmpa=\@tmpa

+      \put(342,0){\set@fusionadd@sixvi}%

+  \else\if\@tmpa c%

+      \let\@@tmpa=\@tmpa

+      \put(342,0){\set@fusionadd@sixvi}%

+  \else\if\@tmpa C%

+      \let\@@tmpa=\@tmpa

+      \put(342,0){\set@fusionadd@sixvi}%

+  \else\if\@tmpa d%

+      \let\@@tmpa=\@tmpa

+      \put(342,0){\set@fusionadd@sixvi}%

+      \if@smallringsw\else

+       \XyMTeXWarning{Unfavorable Fusion for bond `d'}%

+      \fi

+  \else\if\@tmpa D%

+      \let\@@tmpa=\@tmpa

+      \put(342,0){\set@fusionadd@sixvi}%

+      \if@smallringsw\else

+       \XyMTeXWarning{Unfavorable Fusion for bond `D'}%

+      \fi

+  \else\if\@tmpa e%

+      \edef\@@tmpa{c}%

+      \put(0,0){\set@fusionadd@sixvi}%

+      \if@smallringsw\else

+       \XyMTeXWarning{Unfavorable Fusion for bond `e'}%

+      \fi

+  \else\if\@tmpa E%

+      \edef\@@tmpa{C}%

+      \put(0,0){\set@fusionadd@sixvi}%

+      \if@smallringsw\else

+       \XyMTeXWarning{Unfavorable Fusion for bond `E'}%

+      \fi

+  \else\if\@tmpa f%

+      \edef\@@tmpa{d}%

+      \put(0,0){\set@fusionadd@sixvi}%

+  \else\if\@tmpa F%

+      \edef\@@tmpa{D}%

+      \put(0,0){\set@fusionadd@sixvi}%

+  \else\if\@tmpa g%

+      \edef\@@tmpa{e}%

+      \put(0,0){\set@fusionadd@sixvi}%

+  \else\if\@tmpa G%

+      \edef\@@tmpa{E}%

+      \put(0,0){\set@fusionadd@sixvi}%

+  \else\if\@tmpa h%

+      \edef\@@tmpa{f}%

+      \put(0,0){\set@fusionadd@sixvi}%

+  \else\if\@tmpa H%

+      \edef\@@tmpa{F}%

+      \put(0,0){\set@fusionadd@sixvi}%

+  \else\if\@tmpa i%

+      \edef\@@tmpa{a}%

+      \put(0,0){\set@fusionadd@sixvi}%

+      \if@smallringsw\else

+       \XyMTeXWarning{Unfavorable Fusion for bond `i'}%

+      \fi

+  \else\if\@tmpa I%

+      \edef\@@tmpa{A}%

+      \put(0,0){\set@fusionadd@sixvi}%

+      \if@smallringsw\else

+       \XyMTeXWarning{Unfavorable Fusion for bond `I'}%

+      \fi

+  \else\if\@tmpa j%

+      \edef\@@tmpa{f}%

+      \put(342,0){\set@fusionadd@sixvi}%

+      \if@smallringsw\else

+       \XyMTeXWarning{Unfavorable Fusion for bond `j'}%

+      \fi

+  \else\if\@tmpa J%

+      \edef\@@tmpa{F}%

+      \put(342,0){\set@fusionadd@sixvi}%

+      \if@smallringsw\else

+       \XyMTeXWarning{Unfavorable Fusion for bond `J'}%

+      \fi

+  \else\if\@tmpa k%

+      \edef\@@tmpa{e}%

+      \put(342,0){\set@fusionadd@sixvi}%

+      \if@smallringsw\else

+       \XyMTeXWarning{Forbidden Fusion for bond `k'}%

+      \fi

+  \else\if\@tmpa K%

+      \edef\@@tmpa{E}%

+      \put(342,0){\set@fusionadd@sixvi}%

+      \if@smallringsw\else

+       \XyMTeXWarning{Forbidden Fusion for bond `K'}%

+      \fi

+  \fi\fi\fi\fi\fi\fi\fi\fi\fi\fi\fi\fi%

+  \fi\fi\fi\fi\fi\fi\fi\fi\fi\fi%

+}% end of the macro \set@fusion@decavi

+%    \end{macrocode}

+% \end{macro}

+%

+% \subsection{Vertical-bottom type}

+% The macro |\decaheterovb| is used for drawing six-six heterocyclic 

+% derivatives of vertical-bottom type (numbering from the bottom 

+% to the left-upper part). 

+% The word ``vertical'' means that each benzene ring is a vertical type.  

+% The word ``bottom'' means that the benzene ring with young locant numbers 

+% is located at the bottom. 

+% The skeleton and endocyclic double bonds are drawn directly, 

+% while substituents and exocyclic bonds are placed by useing 

+% the inner macro |\setsixringv|. 

+%

+% The standard skeleton of a six-to-six fused heterocycle is selected 

+% to have the following locant numbers. 

+%

+% \changes{v1.02}{1998/10/16}{Newly added command}

+% 

+% \begin{verbatim}

+% ***************************

+% * decahetro derivatives   *

+% *  (vertical bottom type) *

+% ***************************

+% The following numbering is adopted in this macro. 

+%

+%          7 

+%          *  

+%     6  *   * 8

+%       |     |

+%       |     | 0G (4a)

+%     5  *   * *

+%  0F(4a)  *     * 1

+%          |     |

+%          |     |

+%        4  *   *  2

+%             *

+%             3

+%             ^

+%             |

+%            the original point

+% \end{verbatim}

+%

+% The macro |\decaheterovb| has two arguments |ATOMLIST| and |SUBSLIST| 

+% as well as an optional argument |BONDLIST|.  

+% Two optional arguments |SKBONDLIST| and |OMIT| are added to 

+% treat stereochemical information or other bond situations. 

+%

+% \begin{verbatim}

+%   \decaheterovb(SKBONDLIST)[BONDLIST]{ATOMLIST}{SUBSLIST}[OMIT]

+% \end{verbatim}

+%

+% The |SKBONDLIST| argument contains pairs of two alphabets in 

+% parentheses, e.g. (\{bA\}\{fB\}).  Each pair contains a lowercase 

+% character selected from bond specifiers `a' to `k' and a uppercase

+% character `A' or `B'. 

+%

+% The |BONDLIST| argument contains one 

+% character selected from a to k, each of which indicates the presence of 

+% an inner (endcyclic) double bond on the corresponding position. 

+% The option `A' and `B' represent aromatic circles. The option 

+% `$n+$' ($n=1$ to $10$) represents a plus charge on a hetero atom 

+% at the $n$-position. 

+%

+% \begin{verbatim}

+%     BONDLIST:  list of bonds 

+%

+%           none or r  :  decahetero (right-handed)

+%           l          :  decahetero (left-handed)

+%           []         :  fully saturated form

+%           a    :  1,2-double bond      b    :  2,3-double bond

+%           c    :  4,3-double bond      d    :  4,4a-double bond

+%           e    :  4a,5-double bond     f    :  5,6-double bond

+%           g    :  6,7-double bond      h    :  7,8-double bond

+%           i    :  8,8a-double bond     j    :  1,8a-double bond

+%           k    :  4a,8a-double bond

+%           K    :  4a,8a-double bond in the other ring

+%           A    :  aromatic circle      B    :  aromatic circle

+%           {n+}       :  plus at the n-nitrogen atom (n = 1 to 10)

+% \end{verbatim}

+%

+% The |ATOMLIST| argument contains one or more heteroatom descriptors 

+% which are separated from each other by a semicolon.  Each heteroatom 

+% descriptor consists of a locant number and a heteroatom, 

+% where these are separated with a double equality symbol. 

+%

+% \begin{verbatim}

+%     ATOMLIST: list of heteroatoms (max 10 atoms)

+%

+%       for n = 1 to 8

+%

+%            n         : Hetero atom, e.g. N, O, etc. at n-position

+%                        e.g. 1==N for N at 1-position

+%            na        : Hetero atom at 4a or 8b (n=4 or 8)

+%                        e.g. 4a==N (or 9==N) for N at 4a-position

+%                             8a==N (or {{10}}==N) for N at 8a-position

+% \end{verbatim}

+%

+% The |SUBSLIST| argument contains one or more substitution descriptors 

+% which are separated from each other by a semicolon.  Each substitution 

+% descriptor has a locant number with a bond modifier and a substituent, 

+% where these are separated with a double equality symbol. 

+%

+% \begin{verbatim}

+%     SUBSLIST: list of substituents

+%

+%       for n = 1 to 8

+%

+%           nD         :  exocyclic double bond at n-atom

+%           n or nS    :  exocyclic single bond at n-atom

+%           nA         :  alpha single bond at n-atom

+%           nB         :  beta single bond at n-atom

+%           nSA        :  alpha single bond at n-atom (boldface)

+%           nSB        :  beta single bond at n-atom (dotted line)

+%           nSa        :  alpha (not specified) single bond at n-atom

+%           nSb        :  beta (not specified) single bond at n-atom

+%

+%           nSd        :  alpha single bond at n-atom (dotted line) 

+%                           with an alternative direction to nSA 

+%           nSu        :  beta single bond at n-atom (boldface) 

+%                           with an alternative direction to nSB 

+%           nFA        :  alpha single bond at n-atom (dotted line) 

+%                           for ring fusion 

+%           nFB        :  beta single bond at n-atom (boldface) 

+%                           for ring fusion 

+%           nGA        :  alpha single bond at n-atom (dotted line) 

+%                           for the other ring fusion 

+%           nGB        :  beta single bond at n-atom (boldface) 

+%                           for the other ring fusion 

+%

+%       for 9 (4a position) and 10 (8a position)

+%

+%           nD         :  exocyclic double bond at n-atom

+%           n or nS    :  exocyclic single bond at n-atom

+%           nA         :  alpha single bond at n-atom

+%           nB         :  beta single bond at n-atom

+% \end{verbatim}

+%

+% The argument |OMIT| represents one or more bonds to be omitted. 

+% The omitted edges may be regarded as both fused and non-fused 

+% positions. 

+%

+% \begin{verbatim}

+%     OMIT:  one or more bonds omitted (a to k: see BONDLIST)

+% \end{verbatim}

+%

+% Several examples are shown as follows.

+% \begin{verbatim}

+%       e.g. 

+%        

+%        \decaheterovb{1==N}{1==Cl;2==F}

+%        \decaheterovb[c]{1==N}{1==Cl;4==F;2==CH$_{3}$}

+%        \decaheterovb[eb]{1==N}{1D==O;4SA==MeO;4SB==OMe;5==Cl;6==Cl}

+% \end{verbatim}

+%

+% The definition of |\decaheterovb| uses a picture environment and 

+% consists of the same unit processes as shown in |\sixheterov|: 

+% \begin{enumerate}

+% \item treatment of atom list, 

+% \item placing outer skeletons, 

+% \item placing inner double bonds, 

+% \item setting hetero atoms, and 

+% \item placing substituents by using |\setsixringv| several times. 

+% \end{enumerate}

+% \changes{v1.02}{1998/10/31}{Adding \cs{ylposition}, \cs{if@ylsw},

+% \cs{yl@shifti}, \cs{@ylii}, \cs{yl@shiftii}, \cs{@ylii}, 

+% \cs{yl@xdiff} and \cs{yl@ydiff}}

+% \changes{v2.00}{1998/12/25}{Spiro rings and fused rings}

+%

+% \begin{macro}{\decaheterovb}

+% \begin{macro}{\@deca@heterovb}

+% \begin{macro}{\@deca@@heterovb}

+% \begin{macro}{\@decaheterovb}

+%    \begin{macrocode}

+\def\decaheterovb{\@ifnextchar({\@deca@heterovb(@}{\@deca@heterovb(@)}}

+\def\@deca@heterovb(#1){\@ifnextchar[{\@deca@@heterovb(#1)[@}%

+{\@deca@@heterovb(#1)[@]}}

+\def\@deca@@heterovb(#1)[#2]#3#4{\@ifnextchar[%

+{\@decaheterovb(#1)[#2]{#3}{#4}[@}%

+{\@decaheterovb(#1)[#2]{#3}{#4}[@]}}

+\def\@decaheterovb(#1)[#2]#3#4[#5]{%

+%    \end{macrocode}

+%

+%    \begin{macrocode}

+% %%%%%%%%%%%%%%%%%%%%%%%%%%

+% % treatment of atom list %

+% %%%%%%%%%%%%%%%%%%%%%%%%%%

+\iniflag\iniatom%

+\test@vertix@decavb{#3}%

+% %%%%%%%%%%%%%%%%%%%%%%%

+% % adjustment for (yl) %

+% %%%%%%%%%%%%%%%%%%%%%%%

+\@reset@ylsw%

+{\let\eee=\ddd\let\ddd=\ccc

+\let\ccc=\bbb\let\bbb=\aaa

+\ylhetpositionb{#4}{1}{1}{6}{0}% %substituents on 1 to 4

+}%

+\if@ylsw \ifx\@@ylii\empty

+\def\@@ylii{0}\def\@@yli{0}\fi

+\else

+\ylhetpositionb{#4}{0}{4}{7}{0}% %substituents on 5 to 6

+\fi

+\if@ylsw \ifx\@@ylii\empty

+\def\@@ylii{171}\def\@@yli{-303}\fi

+\else

+{\let\aaa=\ggg \let\bbb=\hhh

+\ylhetpositionb{#4}{-6}{0}{3}{0}% %substituents on 7 to 8

+}%

+\fi

+\if@ylsw \ifx\@@ylii\empty

+\def\@@ylii{171}\def\@@yli{-303}\fi

+\else

+{%

+\clipdetection%

+\@clipfusefalse \if@iclip \@clipfusetrue \fi%

+\ylatombondposition{#4}{-8}{9}%   %9 %for 4a position

+}%

+\fi

+\if@ylsw \ifx\@@ylii\empty

+\def\@@ylii{171}\def\@@yli{-303}\fi

+\else

+{%

+\clipdetection%

+\@clipfusefalse \if@jclip \@clipfusetrue \fi%

+\ylatombondposition{#4}{-9}{3}%  %10 for 8a position

+}%

+\fi

+\if@ylsw \ifx\@@ylii\empty

+\def\@@ylii{0}\def\@@yli{-406}\fi

+\fi

+\if@ylsw

+ \yl@shiftii=\@ylii

+ \yl@shifti=\@yli

+ \advance\yl@shiftii\@@ylii

+ \advance\yl@shifti\@@yli

+ \advance\yl@shiftii\yl@xdiff

+ \advance\yl@shifti\yl@ydiff

+ \begin{picture}(0,0)(-\yl@shiftii,-\yl@shifti)

+ \reset@yl@xydiff%1999/1/6 by S. Fujita

+\else

+ \begin{picture}(1000,1200)(-550,-240)

+  \iforigpt \put(-550,-240){\circle*{50}}%

+           \put(0,0){\circle{50}}% 

+   \typeout{command `decaheterovb' origin: %

+    (\the\noshift,\the\noshift) ---> (\the\shiftii,\the\shifti)}\fi%

+\fi

+%    \end{macrocode}

+%

+%    \begin{macrocode}

+% %%%%%%%%%%%%%%%%%%

+% % outer skeleton %

+% %%%%%%%%%%%%%%%%%%

+\begingroup

+\resetbdsw%

+\@bond@@omit{#5}%

+{\let\eee=\ddd\let\ddd=\ccc

+ \let\ccc=\bbb\let\bbb=\aaa

+ \let\aaa=\jjj \let\fff=\iii

+\set@skel@bond{#1}{j}{a}% bond between 8a and 1 \@jjj -> \skbonda etc

+\set@skel@bond{#1}{a}{b}% bond between 1 and 2 \@aaa -> \skbondb etc

+\set@skel@bond{#1}{b}{c}% bond between 2 and 3 \@bbb -> \skbondc etc

+\set@skel@bond{#1}{c}{d}% bond between 3 and 4 \@ccc -> \skbondd etc

+\set@skel@bond{#1}{d}{e}% bond between 4 and 4a \@ddd -> \skbonde etc

+\set@skel@bond{#1}{k}{f}% bond between 4a and 8a \@kkk -> \skbondf etc

+}%

+{\let\aaa=\ggg\let\bbb=\hhh\let\ccc=\jjj\let\ddd=\iii

+\put(-171,303){\set@skel@bond{#1}{h}{a}}%

+  % bond between 7 and 8 \@hhh -> \skbonda etc

+\put(-171,303){\set@skel@bond{#1}{i}{b}}%

+  % bond between 8 and 8a \@iii -> \skbondb etc

+\put(-171,303){\set@skel@bond{#1}{e}{d}}%

+  % bond between 4a and 5 \@eee -> \skbondd etc

+\put(-171,303){\set@skel@bond{#1}{f}{e}}%

+  % bond between 5 and 6 \@fff -> \skbonde etc

+\put(-171,303){\set@skel@bond{#1}{g}{f}}%

+  % bond between 6 and 7 \@ggg -> \skbondf etc

+}%

+\endgroup

+%    \end{macrocode}

+%

+%    \begin{macrocode}

+% %%%%%%%%%%%%%%%%%%%%%

+% % inner double bond %

+% %%%%%%%%%%%%%%%%%%%%%

+\@tfor\member:=#2\do{%

+\if\member r\relax%

+{\let\aaa=\ggg\let\bbb=\hhh\let\ccc=\jjj\let\ddd=\iii

+ \put(-171,303){\bonda}% bond between 7 and 8

+ \put(-171,303){\bonde}% bond between 5 and 6

+}%

+{\let\eee=\ddd\let\ddd=\ccc

+ \let\ccc=\bbb\let\bbb=\aaa

+ \let\aaa=\jjj \let\fff=\iii

+ \put(0,0){\bondb}% bond between 1 and 2

+ \put(0,0){\bondd}% bond between 3 and 4

+ \put(0,0){\bondf}% bond between 4a and 4b

+}%

+\else\if\member l\relax%

+\else\if\member a\relax%

+{\let\ccc=\bbb\let\bbb=\aaa

+ \put(0,0){\bondb}% bond between 1 and 2

+}%

+\else\if\member b\relax

+{\let\ddd=\ccc\let\ccc=\bbb

+ \put(0,0){\bondc}% bond between 2 and 3

+}%

+\else\if\member c\relax

+{\let\eee=\ddd\let\ddd=\ccc

+ \put(0,0){\bondd}% bond between 3 and 4

+}%

+\else\if\member d\relax%

+{\let\fff=\eee\let\eee=\ddd

+ \put(0,0){\bonde}% bond between 4 and 4a

+}%

+\else\if\member e\relax%

+{\let\ddd=\iii%

+ \put(-171,303){\bondd}% bond between 5 and 4a

+}%

+\else\if\member f\relax%

+ \put(-171,303){\bonde}% bond between 5 and 6

+\else\if\member g\relax%

+{\let\aaa=\ggg

+ \put(-171,303){\bondf}% bond between 6 and 7

+}%

+\else\if\member h\relax%

+{\let\aaa=\ggg \let\bbb=\hhh%

+ \put(-171,303){\bonda}% bond between 8 and 7

+}%

+\else\if\member i\relax%

+{\let\bbb=\hhh \let\ccc=\jjj%

+ \put(-171,303){\bondb}% bond between 8 and 8a

+}%

+\else\if\member j\relax%

+{\let\bbb=\aaa\let\aaa=\jjj%

+ \put(0,0){\bonda}% bond between 1 and 8a

+}%

+\else\if\member k\relax%

+{\let\aaa=\jjj\let\fff=\iii%

+ \put(0,0){\bondf}% bond between 8a and 4a

+}%

+\else\if\member K\relax%

+{\let\ccc=\jjj\let\ddd=\iii%

+ \put(-171,303){\bondc}% bond between 8a and 4a in the other ring

+}%

+\else\if\member A%left aromatic circle 

+  \put(-171,506){\circle{240}}               %circle

+\else\if\member B%left aromatic circle 

+  \put(0,203){\circle{240}}             %circle

+\else \expandafter\twoCH@@R\member//%

+  \def\aax{8a}\def\aay{4a}\def\aaz{10}%

+      \if\@@tmpa 1\relax%                  % plus charge etc.

+        \putratom{60}{253}{\@@tmpb}%      % right type

+      \else\if\@@tmpa 2\relax%

+        \putratom{60}{120}{\@@tmpb}%      % right type

+      \else\if\@@tmpa 3\relax%

+        \putratom{-38}{68}{\@@tmpb}%       % right type

+      \else\if\@@tmpa 4\relax%

+        \putratom{-120}{120}{\@@tmpb}%       % right type

+      \else\if\@@tmpa 5\relax%

+        \putlatom{-209}{431}{\@@tmpb}%      % left type

+      \else\if\@@tmpa 6\relax%

+        \putlatom{-209}{546}{\@@tmpb}%      % left type

+      \else\if\@@tmpa 7\relax%

+        \putratom{-209}{585}{\@@tmpb}%      % right type

+      \else\if\@@tmpa 8\relax%

+        \putratom{-111}{546}{\@@tmpb}%      % right type

+      \else\if\@@tmpa 9\relax%

+        \putlatom{-60}{253}{\@@tmpb}%      % left type

+      \else\ifx\@@tmpa\aaz\relax%

+        \putratom{-38}{282}{\@@tmpb}%      % right type

+      \else\ifx\@@tmpa\aax\relax%

+        \putratom{-38}{282}{\@@tmpb}%      % right type

+      \else\ifx\@@tmpa\aay\relax%

+        \putratom{-209}{371}{\@@tmpb}%       % right type

+      \fi\fi\fi\fi\fi\fi\fi\fi\fi\fi\fi\fi%

+% ***********************

+% * setting fused rings *

+% ***********************

+   \expandafter\twoCH@R\member//%

+   \set@fusion@decavb

+\fi\fi\fi\fi\fi\fi\fi\fi\fi\fi%

+\fi\fi\fi\fi\fi\fi%

+}%

+%    \end{macrocode}

+%

+% \changes{v2.00a}{2000/11/11}{The 

+% \cs{iniflag} command is added to 5- and 8-substitution.}

+%

+%    \begin{macrocode}

+% %%%%%%%%%%%%%%%%%%%%%%%%

+% % setting hetero atoms %

+% %%%%%%%%%%%%%%%%%%%%%%%%

+\iniflag\iniatom

+\put(-171,303){\set@hetatom@sixv{#3}{0}{4}{7}{0}%

+\if@eclip \global\@ecliptrue\fi%

+\if@fclip \global\@fcliptrue\fi%

+}% %substituents on 5 to 6

+\put(-171,303){\set@hetatom@sixv{#3}{-6}{0}{3}{0}%

+ \@gclipfalse \if@aclip \global\@gcliptrue \fi%

+ \@hclipfalse \if@bclip \global\@hcliptrue \fi%

+}% %substituents on 7 to 8

+\put(0,0){\set@vrtx@decafusevb{#3}%

+  \if@iclip \global\@icliptrue \fi

+  \if@jclip \global\@jcliptrue \fi

+}%9 %for 4a position, %10 for 8a position

+%to be done after all

+\put(0,0){\iniflag%2000/11/11 by S. Fujita

+\set@hetatom@sixv{#3}{1}{1}{6}{0}%

+\@aclipfalse \if@bclip \global\@acliptrue \fi%

+\@bclipfalse \if@cclip \global\@bcliptrue \fi%

+\@cclipfalse \if@clip \global\@ccliptrue \fi%

+\@clipfalse \if@eclip \global\@cliptrue \fi%

+}% %substituents on 1 to 4

+%    \end{macrocode}

+%

+%    \begin{macrocode}

+% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%

+% % setting substituents and exocyclic bonds %

+% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%

+{%

+\@eclipfalse \if@clip \@ecliptrue \fi%

+\@clipfalse \if@cclip \@cliptrue \fi%

+\@cclipfalse \if@bclip \@ccliptrue \fi%

+\@bclipfalse \if@aclip \@bcliptrue \fi%

+\put(0,0){\setsixringv{#4}{1}{1}{6}{0}}% %substituents on 1 to 4

+}%

+{%

+\put(-171,303){\setsixringv{#4}{0}{4}{7}{0}}% %substituents on 5 to 6

+}%

+{%

+ \@aclipfalse \if@gclip \@acliptrue \fi%

+ \@bclipfalse \if@hclip \@bcliptrue \fi%

+\put(-171,303){\setsixringv{#4}{-6}{0}{3}{0}}% %substituents on 7 to 8

+}%

+{\@clipfusefalse \if@iclip \@clipfusetrue \fi%

+ \put(-171,303){\setatombond{#4}{-8}{9}}%   %9 %for 4a position

+}%

+{\@clipfusefalse \if@jclip \@clipfusetrue \fi%

+  \put(0,406){\setatombond{#4}{-9}{3}}%  %10 for 8a position

+}%

+\end{picture}\iniatom\iniflag}% %end of \decaheterovb macro

+%    \end{macrocode}

+% \end{macro}

+% \end{macro}

+% \end{macro}

+% \end{macro}

+%

+% The command |\ylhetpositionb| is used in the |\decaheterovb| command, 

+% giving the sift values for drawing a structure as a substituent. 

+% \changes{v1.02}{1998/10/16}{Newly added command}

+%

+% \begin{macro}{\ylhetpositionb}

+%    \begin{macrocode}

+\def\ylhetpositionb#1#2#3#4#5{%

+\@@ylswfalse%%%\@reset@ylsw

+\@forsemicol\member:=#1\do{%

+\if@@ylsw\else%

+\ifx\member\empty\else%

+\expandafter\@m@mb@r\member;\relax%

+\expandafter\threech@r\@membera{}{}\relax%

+\ifx\@memberb\@yl\relax\@@ylswtrue\else\@@ylswfalse\fi

+\if@@ylsw

+\ifnum#5<0\relax%

+\@tmpaa=-\@tmpa\relax \advance\@tmpaa by#2\relax%

+\else\@tmpaa=\@tmpa\relax \advance\@tmpaa by#2\relax\fi

+\ifnum\@tmpaa>#3\relax%

+\ifnum\@tmpaa<#4\relax%

+\ifcase\@tmpaa%0 omit

+ \or

+    \ifx\aaa\empty%

+     \ifx\ggg\empty% aaa and ggg are absent

+       \gdef\@ylii{0}\gdef\@yli{-406}\global\@ylswtrue%\@ylatrue% subst. on 1

+     \else% ggg is present

+       \gdef\@ylii{0}\gdef\@yli{-442}\global\@ylswtrue%\@ylatrue% subst. on 1

+     \fi

+    \else%aaa is present

+      \gdef\@ylii{0}\gdef\@yli{-442}\global\@ylswtrue%\@ylatrue% subst. on 1

+    \fi

+ \or

+    \ifx\bbb\empty

+     \ifx\hhh\empty% aaa and hhh are absent

+      \gdef\@ylii{-171}\gdef\@yli{-303}\global\@ylswtrue%\@ylbtrue% subst. on 2

+     \else%hhh is present

+      \gdef\@ylii{-213}\gdef\@yli{-327}\global\@ylswtrue%\@ylbtrue% subst. on 2

+     \fi

+    \else

+      \gdef\@ylii{-213}\gdef\@yli{-327}\global\@ylswtrue%\@ylbtrue% subst. on 2

+    \fi

+ \or\ifx\ccc\empty

+      \gdef\@ylii{-171}\gdef\@yli{-103}\global\@ylswtrue%\@ylctrue% subst. on 3

+    \else

+      \gdef\@ylii{-213}\gdef\@yli{-79}\global\@ylswtrue%\@ylctrue% subst. on 3

+    \fi

+ \or

+   \ifx\ddd\empty

+       \gdef\@ylii{0}\gdef\@yli{0}\global\@ylswtrue%\@yldtrue% subst. on 4

+    \else% ddd present

+      \gdef\@ylii{0}\gdef\@yli{36}\global\@ylswtrue%\@yldtrue% subst. on 4

+    \fi

+ \or

+    \ifx\eee\empty

+       \gdef\@ylii{173}\gdef\@yli{-103}\global\@ylswtrue%\@yletrue% subst. on 5

+    \else% eee is present

+       \gdef\@ylii{223}\gdef\@yli{-79}\global\@ylswtrue%\@yletrue% subst. on 5

+   \fi

+ \or

+    \ifx\fff\empty

+       \gdef\@ylii{173}\gdef\@yli{-303}\global\@ylswtrue%\@ylftrue% subst. on 6

+    \else%fff is present

+      \gdef\@ylii{213}\gdef\@yli{-327}\global\@ylswtrue%\@ylftrue% subst. on 6

+    \fi

+\fi%end of ifcase

+\fi\fi\fi\fi\fi}}%

+%    \end{macrocode}

+% \end{macro}

+%

+% The macro |\test@vertix@decavb| determines the presence of 

+% a hetro atom or a spriro ring at each of the vertices. 

+% \changes{v2.00}{1998/12/25}{Added: spiro rings}

+%

+% \begin{macro}{\test@vertix@decavb}

+%    \begin{macrocode}

+\def\test@vertix@decavb#1{%

+\@forsemicol\member:=#1\do{%

+\ifx\member\empty\else%

+\expandafter\@m@mb@r\member;\relax%

+\expandafter\twoch@r\@membera{}%

+\ifcase\@tmpa%

+ \or% \xdef\aaa{\@memberb}%1

+   \if\@tmpb s\relax\def\aaa{}\else\def\aaa{@}\fi

+ \or% \xdef\bbb{\@memberb}%2

+   \if\@tmpb s\relax\def\bbb{}\else\def\bbb{@}\fi

+ \or% \xdef\ccc{\@memberb}%3

+   \if\@tmpb s\relax\def\ccc{}\else\def\ccc{@}\fi

+ \or%

+   \if\@tmpb a%

+     \def\iii{@}%4a

+   \else\if\@tmpb s%

+     \def\ddd{}%4

+   \else\if\@tmpb h%

+     \def\ddd{@}%4

+   \else\ifx\@tmpb\empty%

+     \def\ddd{@}%4

+   \fi\fi\fi\fi%

+ \or% \xdef\eee{\@memberb}%5

+   \if\@tmpb s\relax\def\eee{}\else\def\eee{@}\fi

+ \or% \xdef\fff{\@memberb}%6

+   \if\@tmpb s\relax\def\fff{}\else\def\fff{@}\fi

+ \or% \xdef\ggg{\@memberb}%7

+   \if\@tmpb s\relax\def\ggg{}\else\def\ggg{@}\fi

+ \or%

+   \if\@tmpb a%

+     \def\jjj{@}%8a

+   \else\if\@tmpb s%

+     \def\hhh{}%8

+   \else\if\@tmpb h%

+     \def\hhh{@}%4

+   \else\ifx\@tmpb\empty%

+     \def\hhh{@}%4

+   \fi\fi\fi\fi%

+\or% \xdef\iii{\@memberb}%9 (= 4a)

+   \if\@tmpb s\relax\def\iii{}\else\def\iii{@}\fi

+\or% \xdef\jjj{\@memberb}%10 (= 8a)

+   \if\@tmpb s\relax\def\jjj{}\else\def\jjj{@}\fi

+\fi\fi}%

+}% end of the macro \test@vertix@decavb

+%    \end{macrocode}

+% \end{macro}

+%

+% The macro |\set@vrtx@decafusevb| typesets a hetero atom 

+% at each fused position. 

+% \changes{v2.00}{1998/12/25}{Added: spiro rings}

+%

+% \begin{macro}{\set@vrtx@decafusevb}

+%    \begin{macrocode}

+\def\set@vrtx@decafusevb#1{%

+\@forsemicol\member:=#1\do{%

+\ifx\member\empty\else%

+\expandafter\@m@mb@r\member;\relax%

+\expandafter\twoch@r\@membera{}%

+\ifcase\@tmpa\or\or\or

+ \or%%%%4

+   \if\@tmpb a%

+     \global\@icliptrue%

+     \putlatom{-135}{280}{\@memberb}% % left type

+   \else\relax

+   \fi

+ \or\or\or

+ \or%8

+   \if\@tmpb a%

+     \global\@jcliptrue%

+     \putratom{-31}{356}{\@memberb}%  % right type

+   \else\relax

+   \fi

+\or%9 (= 4a)

+     \global\@icliptrue%

+     \putlatom{-135}{280}{\@memberb}% % left type

+\or%10 (= 8a)

+     \global\@jcliptrue%

+     \putratom{-31}{356}{\@memberb}%  % right type

+\fi\fi}%

+}% end of the macro \set@vrtx@decafusevb

+%    \end{macrocode}

+% \end{macro}

+%

+% \subsection{Vertical-top type}

+%

+% The macro |\decaheterovt| is used for drawing six-to-six fused derivatives 

+% of vertical-bottom type (numbering from the top to the left-down part). 

+% The word ``vertical'' means that each benzene ring is a vertical type.  

+% The word ``top'' means that the benzene ring with young locant numbers 

+% is located at the top. 

+% The skeleton and endocyclic double bonds are drawn directly, 

+% while substituents and exocyclic bonds are placed by useing 

+% the inner macro |\setsixringv|. 

+% \changes{v1.02}{1998/10/18}{Newly added command}

+% 

+% \begin{verbatim}

+% ****************************

+% * decaheterovt derivatives *

+% *  (vertical-top type)     *

+% ****************************

+% The following numbering is adopted in this macro. 

+%

+%                     2

+%                     *  

+%                1  *   * 3

+%                  |     |

+%                  |     | 

+%         0G (8a)   *   * 4

+%             8   *   * 0F(4a)

+%                |     | 

+%                |     |

+%              7  *   *  5

+%                   *

+%                   6

+%                   ^

+%                   |

+%                   the original point

+% \end{verbatim}

+%

+% The macro |\decaheterovt| has two arguments |ATOMLIST| and |SUBSLIST| 

+% as well as an optional argument |BONDLIST|.  

+% Two optional arguments |SKBONDLIST| and |OMIT| are added to 

+% treat stereochemical information or other bond situations. 

+%

+% \begin{verbatim}

+%   \decaheterovt(SKBONDLIST)[BONDLIST]{ATOMLIST}{SUBSLIST}[OMIT]

+% \end{verbatim}

+%

+% The |SKBONDLIST| argument contains pairs of two alphabets in 

+% parentheses, e.g. (\{bA\}\{fB\}).  Each pair contains a lowercase 

+% character selected from bond specifiers `a' to `k' and a uppercase

+% character `A' or `B'. 

+%

+% The |BONDLIST| argument contains one 

+% character selected from a to k, each of which indicates the presence of 

+% an inner (endcyclic) double bond on the corresponding position. 

+% The option `A' and `B' represent aromatic circles. The option 

+% `$n+$' ($n=1$ to $10$) represents a plus charge on a hetero atom 

+% at the $n$-position. 

+%

+% \begin{verbatim}

+%     BONDLIST:  list of bonds 

+%

+%           none or r  :  decahetero (right-handed)

+%           l          :  decahetero (left-handed)

+%           []         :  fully saturated form

+%           a    :  1,2-double bond      b    :  2,3-double bond

+%           c    :  4,3-double bond      d    :  4,4a-double bond

+%           e    :  4a,5-double bond     f    :  5,6-double bond

+%           g    :  6,7-double bond      h    :  7,8-double bond

+%           i    :  8,8a-double bond     j    :  1,8a-double bond

+%           k    :  4a,8a-double bond

+%           K    :  4a,8a-double bond in the other ring

+%           A    :  aromatic circle      B    :  aromatic circle

+%           {n+}       :  plus at the n-nitrogen atom (n = 1 to 10)

+% \end{verbatim}

+%

+% The |ATOMLIST| argument contains one or more heteroatom descriptors 

+% which are separated from each other by a semicolon.  Each heteroatom 

+% descriptor consists of a locant number and a heteroatom, 

+% where these are separated with a double equality symbol. 

+%

+% \begin{verbatim}

+%     ATOMLIST: list of heteroatoms (max 10 atoms)

+%

+%       for n = 1 to 8

+%

+%            n         : Hetero atom, e.g. N, O, etc. at n-position

+%                        e.g. 1==N for N at 1-position

+%            na        : Hetero atom at 4a or 8b (n=4 or 8)

+%                        e.g. 4a==N (or 9==N) for N at 4a-position

+%                             8a==N (or {{10}}==N) for N at 8a-position

+% \end{verbatim}

+%

+% The |SUBSLIST| argument contains one or more substitution descriptors 

+% which are separated from each other by a semicolon.  Each substitution 

+% descriptor has a locant number with a bond modifier and a substituent, 

+% where these are separated with a double equality symbol. 

+%

+% \begin{verbatim}

+%     SUBSLIST: list of substituents

+%

+%       for n = 1 to 8

+%

+%           nD         :  exocyclic double bond at n-atom

+%           n or nS    :  exocyclic single bond at n-atom

+%           nA         :  alpha single bond at n-atom

+%           nB         :  beta single bond at n-atom

+%           nSA        :  alpha single bond at n-atom (boldface)

+%           nSB        :  beta single bond at n-atom (dotted line)

+%           nSa        :  alpha (not specified) single bond at n-atom

+%           nSb        :  beta (not specified) single bond at n-atom

+%

+%           nSd        :  alpha single bond at n-atom (dotted line) 

+%                           with an alternative direction to nSA 

+%           nSu        :  beta single bond at n-atom (boldface) 

+%                           with an alternative direction to nSB 

+%           nFA        :  alpha single bond at n-atom (dotted line) 

+%                           for ring fusion 

+%           nFB        :  beta single bond at n-atom (boldface) 

+%                           for ring fusion 

+%           nGA        :  alpha single bond at n-atom (dotted line) 

+%                           for the other ring fusion 

+%           nGB        :  beta single bond at n-atom (boldface) 

+%                           for the other ring fusion 

+%

+%       for 9 (4a position) and 10 (8a position)

+%

+%           nD         :  exocyclic double bond at n-atom

+%           n or nS    :  exocyclic single bond at n-atom

+%           nA         :  alpha single bond at n-atom

+%           nB         :  beta single bond at n-atom

+% \end{verbatim}

+%

+% The argument |OMIT| represents one or more bonds to be omitted. 

+% The omitted edges may be regarded as both fused and non-fused 

+% positions. 

+%

+% \begin{verbatim}

+%     OMIT:  one or more bonds omitted (a to k: see BONDLIST)

+% \end{verbatim}

+%

+% Several examples are shown as follows.

+% \begin{verbatim}

+%       e.g. 

+%        

+%        \decaheterovt{1==N}{1==Cl;2==F}

+%        \decaheterovt[c]{1==N}{1==Cl;4==F;2==CH$_{3}$}

+%        \decaheterovt[eb]{1==N}{1D==O;4SA==MeO;4SB==OMe;5==Cl;6==Cl}

+% \end{verbatim}

+%

+% The definition of |\decaheterovt| uses a picture environment and 

+% consists of the same unit processes as shown in |\sixheterov|: 

+% \begin{enumerate}

+% \item treatment of atom list, 

+% \item placing outer skeletons, 

+% \item placing inner double bonds, 

+% \item setting hetero atoms, and 

+% \item placing substituents by using |\setsixringv| several times. 

+% \end{enumerate}

+% \changes{v1.02}{1998/10/31}{Adding \cs{ylposition}, \cs{if@ylsw},

+% \cs{yl@shifti}, \cs{@ylii}, \cs{yl@shiftii}, \cs{@ylii}, 

+% \cs{yl@xdiff} and \cs{yl@ydiff}}

+% \changes{v2.00}{1998/10/31}{Add: Spiro and fused rings}

+%

+% \begin{macro}{\decaheterovt}

+% \begin{macro}{\@deca@heterovt}

+% \begin{macro}{\@deca@@heterovt}

+% \begin{macro}{\@decaheterovt}

+%    \begin{macrocode}

+\def\decaheterovt{\@ifnextchar({\@deca@heterovt(@}{\@deca@heterovt(@)}}

+\def\@deca@heterovt(#1){\@ifnextchar[{\@deca@@heterovt(#1)[@}%

+{\@deca@@heterovt(#1)[@]}}

+\def\@deca@@heterovt(#1)[#2]#3#4{\@ifnextchar[%

+{\@decaheterovt(#1)[#2]{#3}{#4}[@}%

+{\@decaheterovt(#1)[#2]{#3}{#4}[@]}}

+\def\@decaheterovt(#1)[#2]#3#4[#5]{%

+%    \end{macrocode}

+%

+%    \begin{macrocode}

+% %%%%%%%%%%%%%%%%%%%%%%%%%%

+% % treatment of atom list %

+% %%%%%%%%%%%%%%%%%%%%%%%%%%

+\iniflag\iniatom%

+\test@vertix@decavb{#3}%

+% %%%%%%%%%%%%%%%%%%%%%%%

+% % adjustment for (yl) %

+% %%%%%%%%%%%%%%%%%%%%%%%

+\@reset@ylsw%

+{\let\fff=\aaa

+\ylhetpositiont{#4}{5}{5}{7}{0}% %substituent on 1

+}%

+\if@ylsw \ifx\@@ylii\empty

+\def\@@ylii{-171}\def\@@yli{-303}\fi

+\else

+{\let\aaa=\bbb\let\bbb=\ccc\let\ccc=\ddd

+\ylhetpositiont{#4}{-1}{0}{4}{0}% %substituents on 2 to 4

+}%

+\fi

+\if@ylsw \ifx\@@ylii\empty

+\def\@@ylii{-171}\def\@@yli{-303}\fi

+\else

+{\let\ccc=\eee\let\ddd=\fff

+\let\eee=\ggg\let\fff=\hhh

+\ylhetpositiont{#4}{-2}{2}{7}{0}% %substituents on 5 to 8

+}%

+\fi

+\if@ylsw \ifx\@@ylii\empty

+\def\@@ylii{0}\def\@@yli{0}\fi

+\else

+{%

+\clipdetection%

+\@clipfusefalse \if@iclip \@clipfusetrue \fi%

+\ylatombondposition{#4}{-8}{5}%   %9 %for 4a position

+}%

+\fi

+\if@ylsw \ifx\@@ylii\empty

+\def\@@ylii{-171}\def\@@yli{-303}\fi

+\else

+{%

+\clipdetection%

+\@clipfusefalse \if@jclip \@clipfusetrue \fi%

+\ylatombondposition{#4}{-9}{11}%  %10 for 8a position

+}%

+\fi

+\if@ylsw \ifx\@@ylii\empty

+\def\@@ylii{0}\def\@@yli{-406}\fi

+\fi

+\if@ylsw

+ \yl@shiftii=\@ylii

+ \yl@shifti=\@yli

+ \advance\yl@shiftii\@@ylii

+ \advance\yl@shifti\@@yli

+ \advance\yl@shiftii\yl@xdiff

+ \advance\yl@shifti\yl@ydiff

+ \begin{picture}(0,0)(-\yl@shiftii,-\yl@shifti)

+ \reset@yl@xydiff%1999/1/6 by S. Fujita

+\else

+ \begin{picture}(1200,880)(-\shiftii,-\shifti)%

+  \iforigpt \put(-\shiftii,-\shifti){\circle*{50}}%

+           \put(-\noshift,-\noshift){\circle{50}}% 

+   \typeout{command `decaheterovt' origin: %

+    (\the\noshift,\the\noshift) ---> (\the\shiftii,\the\shifti)}\fi%

+\fi

+%    \end{macrocode}

+%

+%    \begin{macrocode}

+% %%%%%%%%%%%%%%%%%%

+% % outer skeleton %

+% %%%%%%%%%%%%%%%%%%

+\begingroup

+\resetbdsw%

+\@bond@@omit{#5}%

+{%

+ \let\fff=\aaa \let\aaa=\bbb \let\bbb=\ccc

+ \let\ccc=\ddd \let\ddd=\iii \let\eee=\jjj

+\put(171,303){\set@skel@bond{#1}{b}{a}}%

+  % bond between 2 and 3 \@bbb -> \skbonda etc

+\put(171,303){\set@skel@bond{#1}{c}{b}}%

+  % bond between 3 and 4 \@ccc -> \skbondb etc

+\put(171,303){\set@skel@bond{#1}{d}{c}}%

+  % bond between 4 and 4a \@ddd -> \skbondc etc

+\put(171,303){\set@skel@bond{#1}{k}{d}}%

+  % bond between 4a and 8a \@kkk -> \skbondd etc

+\put(171,303){\set@skel@bond{#1}{j}{e}}%

+  % bond between 8a and 1 \@jjj -> \skbonde etc

+\put(171,303){\set@skel@bond{#1}{a}{f}}%

+  % bond between 1 and 2 \@aaa -> \skbondf etc

+}%

+{%

+ \let\aaa=\jjj\let\bbb=\iii

+ \let\ccc=\eee\let\ddd=\fff

+ \let\eee=\ggg\let\fff=\hhh

+\set@skel@bond{#1}{e}{b}% bond between 4a and 5 \@eee -> \skbondb etc

+\set@skel@bond{#1}{f}{c}% bond between 5 and 6 \@fff -> \skbondc etc

+\set@skel@bond{#1}{g}{d}% bond between 6 and 7 \@ggg -> \skbondd etc

+\set@skel@bond{#1}{h}{e}% bond between 7 and 8 \@hhh -> \skbonde etc

+\set@skel@bond{#1}{i}{f}% bond between 8 and 8a \@iii -> \skbondf etc

+}%

+\endgroup

+%    \end{macrocode}

+%

+%    \begin{macrocode}

+% %%%%%%%%%%%%%%%%%%%%%

+% % inner double bond %

+% %%%%%%%%%%%%%%%%%%%%%

+\@tfor\member:=#2\do{%

+\if\member r\relax%

+{%

+ \let\ccc=\eee\let\ddd=\fff\let\eee=\ggg\let\fff=\ggg

+ \put(0,0){\bondc}% bond between 7 and 8

+ \put(0,0){\bonde}% bond between 5 and 6

+}%

+{%

+ \let\fff=\aaa\let\aaa=\bbb

+ \let\bbb=\ccc\let\ccc=\ddd

+ \let\ddd=\iii\let\eee=\jjj

+ \put(171,303){\bondf}% bond between 1 and 2

+ \put(171,303){\bondb}% bond between 3 and 4

+ \put(171,303){\bondd}% bond between 4a and 8a

+}%

+\else\if\member l\relax%

+\else\if\member a\relax%

+{\let\fff=\aaa\let\aaa=\bbb

+ \put(171,303){\bondf}% bond between 1 and 2

+}%

+\else\if\member b\relax

+{\let\aaa=\bbb\let\bbb=\ccc

+ \put(171,303){\bonda}% bond between 2 and 3

+}%

+\else\if\member c\relax

+{\let\bbb=\ccc\let\ccc=\ddd

+ \put(171,303){\bondb}% bond between 3 and 4

+}%

+\else\if\member d\relax%

+{\let\ccc=\ddd\let\ddd=\eee

+ \put(171,303){\bondc}% bond between 4 and 4a

+}%

+\else\if\member e\relax%

+{\let\ccc=\eee\let\bbb=\iii%

+ \put(0,0){\bondb}% bond between 5 and 4a

+}%

+\else\if\member f\relax%

+{\let\ccc=\eee\let\ddd=\fff

+ \put(0,0){\bondc}% bond between 5 and 6

+}%

+\else\if\member g\relax%

+{\let\ddd=\fff\let\eee=\ggg

+ \put(0,0){\bondd}% bond between 6 and 7

+}%

+\else\if\member h\relax%

+{\let\eee=\ggg \let\fff=\hhh%

+ \put(0,0){\bonde}% bond between 8 and 7

+}%

+\else\if\member i\relax%

+{\let\aaa=\jjj \let\fff=\hhh%

+ \put(0,0){\bondf}% bond between 8 and 8a

+}%

+\else\if\member j\relax%

+{\let\fff=\aaa\let\eee=\jjj%

+ \put(171,303){\bonde}% bond between 1 and 8a

+}%

+\else\if\member k\relax%

+{\let\aaa=\jjj\let\bbb=\iii%

+ \put(0,0){\bonda}% bond between 8a and 4a

+}%

+\else\if\member K\relax%

+{\let\eee=\jjj\let\ddd=\iii%

+ \put(171,303){\bondd}% bond between 8a and 4a in the other ring

+}%

+\else\if\member A%left aromatic circle 

+  \put(171,506){\circle{240}}               %circle

+\else\if\member B%left aromatic circle 

+  \put(0,203){\circle{240}}             %circle

+\else

+  \expandafter\twoCH@@R\member//%

+  \def\aax{8a}\def\aay{4a}\def\aaz{10}%

+      \if\@@tmpa 1\relax%                  % plus charge etc.

+        \putlatom{111}{546}{\@@tmpb}%      % left type

+      \else\if\@@tmpa 2\relax%

+        \putlatom{209}{585}{\@@tmpb}%      % left type

+      \else\if\@@tmpa 3\relax%

+        \putratom{209}{546}{\@@tmpb}%      % right type

+      \else\if\@@tmpa 4\relax%

+        \putratom{209}{431}{\@@tmpb}%      % right type

+      \else\if\@@tmpa 5\relax%

+        \putratom{60}{120}{\@@tmpb}%      % right type

+      \else\if\@@tmpa 6\relax%

+        \putratom{-38}{68}{\@@tmpb}%       % right type

+      \else\if\@@tmpa 7\relax%

+        \putratom{-120}{120}{\@@tmpb}%       % right type

+      \else\if\@@tmpa 8\relax%

+        \putlatom{-60}{253}{\@@tmpb}%      % left type

+      \else\if\@@tmpa 9\relax%

+        \putratom{60}{253}{\@@tmpb}%      % right type

+      \else\ifx\@@tmpa\aaz\relax%

+        \putratom{-38}{282}{\@@tmpb}%      % right type

+      \else\ifx\@@tmpa\aax\relax%

+        \putratom{-38}{282}{\@@tmpb}%      % right type

+      \else\ifx\@@tmpa\aay\relax%

+        \putratom{60}{253}{\@@tmpb}%      % right type

+      \fi\fi\fi\fi\fi\fi\fi\fi\fi\fi\fi\fi%

+% ***********************

+% * setting fused rings *

+% ***********************

+  \expandafter\twoCH@R\member//%

+   \set@fusion@decavt

+\fi\fi\fi\fi\fi\fi\fi\fi\fi\fi%

+\fi\fi\fi\fi\fi\fi%

+}%

+%    \end{macrocode}

+%

+%    \begin{macrocode}

+% %%%%%%%%%%%%%%%%%%%%%%%%

+% % setting hetero atoms %

+% %%%%%%%%%%%%%%%%%%%%%%%%

+\iniflag

+\put(0,0){\set@hetatom@sixv{#3}{-2}{2}{7}{0}%

+ \@hclipfalse \if@fclip \global\@hcliptrue \fi%

+ \@gclipfalse \if@eclip \global\@gcliptrue \fi%

+ \@fclipfalse \if@clip \global\@fcliptrue \fi%

+ \@eclipfalse \if@cclip \global\@ecliptrue \fi%

+}% %substituents on 5 to 8

+\put(0,0){\set@vrtx@decafusevt{#3}%

+  \if@iclip \global\@icliptrue \fi

+  \if@jclip \global\@jcliptrue \fi

+}%9 %for 4a position, %10 for 8a position

+%to be done after all (exept aclip)

+\put(171,303){\set@hetatom@sixv{#3}{-1}{0}{4}{0}%

+\@clipfalse \if@cclip \global\@cliptrue \fi%

+\@cclipfalse \if@bclip \global\@ccliptrue \fi%

+\@bclipfalse \if@aclip \global\@bcliptrue \fi%

+}% %substituents on 2 to 4

+{%

+\@fclipfalse%locally cancelled 1999/2/15 by Shinsaku Fujita

+\put(171,303){\set@hetatom@sixv{#3}{5}{5}{7}{0}%

+\@aclipfalse \if@fclip \global\@acliptrue \fi%

+}% %substituent on 1

+}%

+%    \end{macrocode}

+%

+%    \begin{macrocode}

+% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%

+% % setting substituents and exocyclic bonds %

+% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%

+{%

+\@fclipfalse \if@aclip \@fcliptrue \fi%

+\put(171,303){\setsixringv{#4}{5}{5}{7}{0}}% %substituent on 1

+}%

+{%

+\@aclipfalse \if@bclip \@acliptrue \fi%

+\@bclipfalse \if@cclip \@bcliptrue \fi%

+\@cclipfalse \if@clip \@ccliptrue \fi%

+\put(171,303){\setsixringv{#4}{-1}{0}{4}{0}}% %substituents on 2 to 4

+}%

+{%

+ \@cclipfalse \if@eclip \@ccliptrue \fi%

+ \@clipfalse \if@fclip \@cliptrue \fi%

+ \@eclipfalse \if@gclip \@ecliptrue \fi%

+ \@fclipfalse \if@hclip \@fcliptrue \fi%

+\put(0,0){\setsixringv{#4}{-2}{2}{7}{0}}% %substituents on 5 to 8

+}%

+{\@clipfusefalse \if@iclip \@clipfusetrue \fi%

+ \put(171,303){\setatombond{#4}{-8}{5}}%   %9 %for 4a position

+}%

+{\@clipfusefalse \if@jclip \@clipfusetrue \fi%

+  \put(0,406){\setatombond{#4}{-9}{11}}%  %10 for 8a position

+}%

+\end{picture}\iniatom\iniflag}%  %end of \decaheterovt macro

+%    \end{macrocode}

+% \end{macro}

+% \end{macro}

+% \end{macro}

+% \end{macro}

+%

+% The command |\ylhetpositiont| is used in the |\decaheterovt| command, 

+% giving the sift values for drawing a structure as a substituent. 

+% \changes{v1.02}{1998/10/18}{Newly added command}

+%

+% \begin{macro}{\ylhetpositiont}

+%    \begin{macrocode}

+\def\ylhetpositiont#1#2#3#4#5{%

+\@@ylswfalse%%%\@reset@ylsw

+\@forsemicol\member:=#1\do{%

+\if@@ylsw\else%

+\ifx\member\empty\else%

+\expandafter\@m@mb@r\member;\relax%

+\expandafter\threech@r\@membera{}{}\relax%

+\ifx\@memberb\@yl\relax\@@ylswtrue\else\@@ylswfalse\fi

+\if@@ylsw

+\ifnum#5<0\relax%

+\@tmpaa=-\@tmpa\relax \advance\@tmpaa by#2\relax%

+\else\@tmpaa=\@tmpa\relax \advance\@tmpaa by#2\relax\fi

+\ifnum\@tmpaa>#3\relax%

+\ifnum\@tmpaa<#4\relax%

+\ifcase\@tmpaa%0 omit

+ \or

+    \ifx\aaa\empty%

+     \ifx\bbb\empty% aaa and bbb are absent

+       \gdef\@ylii{0}\gdef\@yli{-406}\global\@ylswtrue%\@ylatrue% subst. on 1

+     \else% bbb is present

+       \gdef\@ylii{0}\gdef\@yli{-442}\global\@ylswtrue%\@ylatrue% subst. on 1

+     \fi

+    \else%aaa is present

+      \gdef\@ylii{0}\gdef\@yli{-442}\global\@ylswtrue%\@ylatrue% subst. on 1

+    \fi

+ \or

+    \ifx\bbb\empty

+     \ifx\ccc\empty% aaa and ccc are absent

+      \gdef\@ylii{-171}\gdef\@yli{-303}\global\@ylswtrue%\@ylbtrue% subst. on 2

+     \else%ccc is present

+      \gdef\@ylii{-213}\gdef\@yli{-327}\global\@ylswtrue%\@ylbtrue% subst. on 2

+     \fi

+    \else

+      \gdef\@ylii{-213}\gdef\@yli{-327}\global\@ylswtrue%\@ylbtrue% subst. on 2

+    \fi

+ \or

+    \ifx\ccc\empty

+     \ifx\ddd\empty

+      \ifx\eee\empty% ccc, ddd, eee are absent

+       \gdef\@ylii{-171}\gdef\@yli{-103}\global\@ylswtrue%\@ylctrue%subst. on 3

+      \else%eee is present 

+       \gdef\@ylii{-213}\gdef\@yli{-79}\global\@ylswtrue%\@ylctrue% subst. on 3

+      \fi

+     \else%ddd is present

+      \gdef\@ylii{-213}\gdef\@yli{-79}\global\@ylswtrue%\@ylctrue% subst. on 3

+     \fi

+    \else%ccc is present

+      \gdef\@ylii{-213}\gdef\@yli{-79}\global\@ylswtrue%\@ylctrue% subst. on 3

+    \fi

+ \or

+   \ifx\ddd\empty

+     \ifx\fff\empty%ddd and fff are absent

+       \gdef\@ylii{0}\gdef\@yli{0}\global\@ylswtrue%\@yldtrue% subst. on 4

+     \else%fff present

+      \gdef\@ylii{0}\gdef\@yli{36}\global\@ylswtrue%\@yldtrue% subst. on 4

+     \fi

+    \else% ddd present

+      \gdef\@ylii{0}\gdef\@yli{36}\global\@ylswtrue%\@yldtrue% subst. on 4

+    \fi

+ \or

+    \ifx\eee\empty

+     \ifx\ggg\empty%eee and ggg are absent

+       \gdef\@ylii{173}\gdef\@yli{-103}\global\@ylswtrue%\@yletrue% subst. on 5

+     \else% ggg is present

+       \gdef\@ylii{223}\gdef\@yli{-79}\global\@ylswtrue%\@yletrue% subst. on 5

+     \fi

+    \else% eee is present

+       \gdef\@ylii{223}\gdef\@yli{-79}\global\@ylswtrue%\@yletrue% subst. on 5

+    \fi

+ \or

+    \ifx\fff\empty

+     \ifx\hhh\empty%fff and hhh are absent

+       \gdef\@ylii{173}\gdef\@yli{-303}\global\@ylswtrue%\@ylftrue% subst. on 6

+     \else%hhh is present

+      \gdef\@ylii{213}\gdef\@yli{-327}\global\@ylswtrue%\@ylftrue% subst. on 6

+     \fi

+    \else%fff is present

+      \gdef\@ylii{213}\gdef\@yli{-327}\global\@ylswtrue%\@ylftrue% subst. on 6

+    \fi

+\fi%end of ifcase

+\fi\fi\fi\fi\fi}}%

+%    \end{macrocode}

+% \end{macro}

+%

+% The macro |\set@vrtx@decafusevt| is used to typeset a hetero 

+% atom at each fused vertex (4a or 8a) of a decaheterovt ring. 

+%

+% \begin{macro}{\set@vrtx@decafusevt}

+%    \begin{macrocode}

+\def\set@vrtx@decafusevt#1{%

+\@forsemicol\member:=#1\do{%

+\ifx\member\empty\else%

+\expandafter\@m@mb@r\member;\relax%

+\expandafter\twoch@r\@membera{}%

+\ifcase\@tmpa\or\or\or

+ \or%%%%4

+   \if\@tmpb a%

+     \global\@icliptrue%

+     \putratom{135}{280}{\@memberb}% % right type

+   \else\relax

+   \fi

+ \or\or\or

+ \or%8

+   \if\@tmpb a%

+     \global\@jcliptrue%

+     \putlatom{31}{356}{\@memberb}%  % left type

+   \else\relax

+   \fi

+\or%9 (= 4a)

+     \global\@icliptrue%

+     \putratom{135}{280}{\@memberb}% % right type

+\or%10 (= 8a)

+     \global\@jcliptrue%

+     \putlatom{31}{356}{\@memberb}%  % left type

+\fi\fi}%

+}% end of the macro \set@vrtx@decafusevt

+%    \end{macrocode}

+% \end{macro}

+%

+% \subsection{Short-cut commands for fused heterocycles}

+%

+% The macros |\decaheterov|, |\decaheterovb|, and 

+% |\decaheterovt| can be used in the form of a fixed |ATOMLIST|.  

+% Hence, the resulting commands for drawing a fused heterocyle 

+% with one or more nitrogen atoms have an argument |SUBSLIST| 

+% as well as an optional argument |BONDLIST|.  

+%

+% \begin{verbatim}

+% ****************************************************

+% * heterocycles having two fused six-membered rings *

+% *  (vertical type)                                 *

+% ****************************************************

+%

+%   \quinolinev[BONDLIST]{SUBSLIST}

+%   \quinolinevi[BONDLIST]{SUBSLIST}

+%   \quinolinevb[BONDLIST]{SUBSLIST}

+%   \quinolinevt[BONDLIST]{SUBSLIST}

+%

+%   \isoquinolinev[BONDLIST]{SUBSLIST}

+%   \isoquinolinevi[BONDLIST]{SUBSLIST}

+%   \isoquinolinevb[BONDLIST]{SUBSLIST}

+%   \isoquinolinevt[BONDLIST]{SUBSLIST}

+%

+%   \quinoxalinev[BONDLIST]{SUBSLIST}

+%   \quinoxalinevi[BONDLIST]{SUBSLIST}

+%   \quinoxalinevb[BONDLIST]{SUBSLIST}

+%   \quinoxalinevt[BONDLIST]{SUBSLIST}

+%

+%   \quinazolinev[BONDLIST]{SUBSLIST}

+%   \quinazolinevi[BONDLIST]{SUBSLIST}

+%   \quinazolinevb[BONDLIST]{SUBSLIST}

+%   \quinazolinevt[BONDLIST]{SUBSLIST}

+%

+%   \cinnolinev[BONDLIST]{SUBSLIST}

+%   \cinnolinevi[BONDLIST]{SUBSLIST}

+%   \cinnolinevb[BONDLIST]{SUBSLIST}

+%   \cinnolinevt[BONDLIST]{SUBSLIST}

+%

+%   \pteridinev[BONDLIST]{SUBSLIST}

+%   \pteridinevi[BONDLIST]{SUBSLIST}

+%   \pteridinevb[BONDLIST]{SUBSLIST}

+%   \pteridinevt[BONDLIST]{SUBSLIST}

+% \end{verbatim}

+%

+% The |BONDLIST| argument contains one character selected 

+% from a to k (K), each of which indicates the presence of 

+% an inner (endcyclic) double bond on the corresponding position. 

+% The optiona `A' and `B' typeset aromatic circles. 

+% The option 

+% `$n+$' ($n=1$ to $10$) represents a plus charge on a hetero atom 

+% at the $n$-position. 

+%

+% \begin{verbatim}

+%     BONDLIST:  list of bonds 

+%

+%           none or r  :  decahetero (right-handed)

+%           l          :  decahetero (left-handed)

+%           []         :  fully saturated form

+%           a    :  1,2-double bond      b    :  2,3-double bond

+%           c    :  4,3-double bond      d    :  4,4a-double bond

+%           e    :  4a,5-double bond     f    :  5,6-double bond

+%           g    :  6,7-double bond      h    :  7,8-double bond

+%           i    :  8,8a-double bond     j    :  1,8a-double bond

+%           k    :  4a,8a-double bond

+%           K    :  4a,8a-double bond in the other ring

+%           A    :  aromatic circle      B    :  aromatic circle

+%           {n+}     :  plus at the n-nitrogen atom (n = 1 to 10)

+% \end{verbatim}

+%

+% The |SUBSLIST| argument contains one or more substitution descriptors 

+% which are separated from each other by a semicolon.  Each substitution 

+% descriptor has a locant number with a bond modifier and a substituent, 

+% where these are separated with a double equality symbol. 

+%

+% \begin{verbatim}

+%     SUBSLIST: list of substituents

+%

+%       for n = 1 to 8

+%

+%           nD         :  exocyclic double bond at n-atom

+%           n or nS    :  exocyclic single bond at n-atom

+%           nA         :  alpha single bond at n-atom

+%           nB         :  beta single bond at n-atom

+%           nSA        :  alpha single bond at n-atom (boldface)

+%           nSB        :  beta single bond at n-atom (dotted line)

+%           nSa        :  alpha (not specified) single bond at n-atom

+%           nSb        :  beta (not specified) single bond at n-atom

+%

+%           nSd        :  alpha single bond at n-atom (dotted line) 

+%                           with an alternative direction to nSA 

+%           nSu        :  beta single bond at n-atom (boldface) 

+%                           with an alternative direction to nSB 

+%           nFA        :  alpha single bond at n-atom (dotted line) 

+%                           for ring fusion 

+%           nFB        :  beta single bond at n-atom (boldface) 

+%                           for ring fusion 

+%           nGA        :  alpha single bond at n-atom (dotted line) 

+%                           for the other ring fusion 

+%           nGB        :  beta single bond at n-atom (boldface) 

+%                           for the other ring fusion 

+%

+%       for 9 (4a position) and 10 (8a position)

+%

+%           nD         :  exocyclic double bond at n-atom

+%           n or nS    :  exocyclic single bond at n-atom

+%           nA         :  alpha single bond at n-atom

+%           nB         :  beta single bond at n-atom

+% \end{verbatim}

+%

+% Several examples are shown as follows.

+% \begin{verbatim}

+%       e.g. 

+%        

+%        \quinolinev{3==Cl;2==F}

+%        \quinolinev{3==Cl;4==F;2==CH$_{3}$}

+% \end{verbatim}

+%

+% \begin{macro}{\quinolinev}

+% \begin{macro}{\quinolinevi}

+% \begin{macro}{\quinolinevb}

+% \begin{macro}{\quinolinevt}

+% \changes{v1.02}{1998/10/18}{Newly added commands: 

+% \cs{quinolinevb} and \cs{quinolinevt}}

+%    \begin{macrocode}

+\def\quinolinev{%

+ \@ifnextchar[{\@quinolinev[@}{\@quinolinev[acfhk]}}

+\def\@quinolinev[#1]#2{%

+\iforigpt \typeout{command `quinolinev' %

+  is based on `decaheterov'.}\fi%

+\decaheterov[#1]{1==N}{#2}}

+\def\quinolinevi{%

+ \@ifnextchar[{\@quinolinevi[@}{\@quinolinevi[acfhk]}}

+\def\@quinolinevi[#1]#2{%

+\iforigpt \typeout{command `quinolinevi' %

+ is based on `decaheterovi'.}\fi%

+\decaheterovi[#1]{1==N}{#2}}

+\def\quinolinevb{%

+ \@ifnextchar[{\@quinolinevb[@}{\@quinolinevb[acfhk]}}

+\def\@quinolinevb[#1]#2{%

+\iforigpt \typeout{command `quinolinevb' %

+ is based on `decaheterovb'.}\fi%

+\decaheterovb[#1]{1==N}{#2}}

+\def\quinolinevt{%

+ \@ifnextchar[{\@quinolinevt[@}{\@quinolinevt[acfhk]}}

+\def\@quinolinevt[#1]#2{%

+\iforigpt \typeout{command `quinolinevt' %

+ is based on `decaheterovt'.}\fi%

+\decaheterovt[#1]{1==N}{#2}}

+%    \end{macrocode}

+% \end{macro}

+% \end{macro}

+% \end{macro}

+% \end{macro}

+%

+% \begin{macro}{\isoquinolinev}

+% \begin{macro}{\isoquinolinevi}

+% \begin{macro}{\isoquinolinevb}

+% \begin{macro}{\isoquinolinevt}

+% \changes{v1.02}{1998/10/18}{Newly added commands: 

+% \cs{isoquinolinevb} and \cs{isoquinolinevt}}

+%    \begin{macrocode}

+\def\isoquinolinev{%

+ \@ifnextchar[{\@isoquinolinev[@}{\@isoquinolinev[acfhk]}}

+\def\@isoquinolinev[#1]#2{%

+\iforigpt \typeout{command `isoquinolinev' %

+ is based on `decaheterov'.}\fi%

+\decaheterov[#1]{2==N}{#2}}

+\def\isoquinolinevi{%

+ \@ifnextchar[{\@isoquinolinevi[@}{\@isoquinolinevi[acfhk]}}

+\def\@isoquinolinevi[#1]#2{%

+\iforigpt \typeout{command `isoquinolinevi' %

+ is based on `decaheterovi'.}\fi%

+\decaheterovi[#1]{2==N}{#2}}%

+\def\isoquinolinevb{%

+ \@ifnextchar[{\@isoquinolinevb[@}{\@isoquinolinevb[acfhk]}}

+\def\@isoquinolinevb[#1]#2{%

+\iforigpt \typeout{command `isoquinolinevb' %

+ is based on `decaheterovi'.}\fi%

+\decaheterovb[#1]{2==N}{#2}}%

+\def\isoquinolinevt{%

+ \@ifnextchar[{\@isoquinolinevt[@}{\@isoquinolinevt[acfhk]}}

+\def\@isoquinolinevt[#1]#2{%

+\iforigpt \typeout{command `isoquinolinevt' %

+ is based on `decaheterovt'.}\fi%

+\decaheterovt[#1]{2==N}{#2}}%

+%    \end{macrocode}

+% \end{macro}

+% \end{macro}

+% \end{macro}

+% \end{macro}

+%

+% \begin{macro}{\quinoxalinev}

+% \begin{macro}{\quinoxalinevi}

+% \begin{macro}{\quinoxalinevb}

+% \begin{macro}{\quinoxalinevt}

+% \changes{v1.02}{1998/10/18}{Newly added commands: 

+% \cs{quinoxalinevb} and \cs{quinoxalinevt}}

+%    \begin{macrocode}

+\def\quinoxalinev{%

+ \@ifnextchar[{\@quinoxalinev[@}{\@quinoxalinev[acfhk]}}

+\def\@quinoxalinev[#1]#2{%

+\iforigpt \typeout{command `quinoxalinev' %

+ is based on `decaheterov'.}\fi%

+\decaheterov[#1]{1==N;4==N}{#2}}

+\def\quinoxalinevi{%

+ \@ifnextchar[{\@quinoxalinevi[@}{\@quinoxalinevi[acfhk]}}

+\def\@quinoxalinev[#1]#2{%

+\iforigpt \typeout{command `quinoxalinevi' %

+ is based on `decaheterovi'.}\fi%

+\decaheterovi[#1]{1==N;4==N}{#2}}

+\def\quinoxalinevb{%

+ \@ifnextchar[{\@quinoxalinevb[@}{\@quinoxalinevb[acfhk]}}

+\def\@quinoxalinevb[#1]#2{%

+\iforigpt \typeout{command `quinoxalinevb' %

+ is based on `decaheterovb'.}\fi%

+\decaheterovb[#1]{1==N;4==N}{#2}}

+\def\quinoxalinevt{%

+ \@ifnextchar[{\@quinoxalinevt[@}{\@quinoxalinevt[acfhk]}}

+\def\@quinoxalinevt[#1]#2{%

+\iforigpt \typeout{command `quinoxalinevt' %

+ is based on `decaheterovt'.}\fi%

+\decaheterovt[#1]{1==N;4==N}{#2}}

+%    \end{macrocode}

+% \end{macro}

+% \end{macro}

+% \end{macro}

+% \end{macro}

+%

+% \begin{macro}{\quinazolinev}

+% \begin{macro}{\quinazolinevi}

+% \begin{macro}{\quinazolinevb}

+% \begin{macro}{\quinazolinevt}

+% \changes{v1.02}{1998/10/18}{Newly added commands: 

+% \cs{quinazolinevb} and \cs{quinazolinevt}}

+%    \begin{macrocode}

+\def\quinazolinev{%

+ \@ifnextchar[{\@quinazolinev[@}{\@quinazolinev[acfhk]}}

+\def\@quinazolinev[#1]#2{%

+\iforigpt \typeout{command `quinazolinev' %

+ is based on `decaheterov'.}\fi%

+\decaheterov[#1]{1==N;3==N}{#2}}

+\def\quinazolinevi{%

+ \@ifnextchar[{\@quinazolinevi[@}{\@quinazolinevi[acfhk]}}

+\def\@quinazolinevi[#1]#2{%

+\iforigpt \typeout{command `quinazolinevi' %

+ is based on `decaheterovi'.}\fi%

+\decaheterovi[#1]{1==N;3==N}{#2}}

+\def\quinazolinevb{%

+ \@ifnextchar[{\@quinazolinevb[@}{\@quinazolinevb[acfhk]}}

+\def\@quinazolinevb[#1]#2{%

+\iforigpt \typeout{command `quinazolinevb' %

+ is based on `decaheterovb'.}\fi%

+\decaheterovb[#1]{1==N;3==N}{#2}}

+\def\quinazolinevt{%

+ \@ifnextchar[{\@quinazolinevt[@}{\@quinazolinevt[acfhk]}}

+\def\@quinazolinevt[#1]#2{%

+\iforigpt \typeout{command `quinazolinevt' %

+ is based on `decaheterovt'.}\fi%

+\decaheterovt[#1]{1==N;3==N}{#2}}

+%    \end{macrocode}

+% \end{macro}

+% \end{macro}

+% \end{macro}

+% \end{macro}

+%

+% \begin{macro}{\cinnolinev}

+% \begin{macro}{\cinnolinevi}

+% \begin{macro}{\cinnolinevb}

+% \begin{macro}{\cinnolinevt}

+% \changes{v1.02}{1998/10/18}{Newly added commands: 

+% \cs{cinnolinevb} and \cs{cinnolinevt}}

+%    \begin{macrocode}

+\def\cinnolinev{%

+ \@ifnextchar[{\@cinnolinev[@}{\@cinnolinev[acfhk]}}

+\def\@cinnolinev[#1]#2{%

+\iforigpt \typeout{command `cinnolinev' %

+ is based on `decaheterov'.}\fi%

+\decaheterov[#1]{1==N;2==N}{#2}}

+\def\cinnolinevi{%

+ \@ifnextchar[{\@cinnolinevi[@}{\@cinnolinevi[acfhk]}}

+\def\@cinnolinevi[#1]#2{%

+\iforigpt \typeout{command `cinnolinevi' %

+ is based on `decaheterovi'.}\fi%

+\decaheterovi[#1]{1==N;2==N}{#2}}

+\def\cinnolinevb{%

+ \@ifnextchar[{\@cinnolinevb[@}{\@cinnolinevb[acfhk]}}

+\def\@cinnolinevb[#1]#2{%

+\iforigpt \typeout{command `cinnolinevb' %

+ is based on `decaheterovb'.}\fi%

+\decaheterovb[#1]{1==N;2==N}{#2}}

+\def\cinnolinevt{%

+ \@ifnextchar[{\@cinnolinevt[@}{\@cinnolinevt[acfhk]}}

+\def\@cinnolinevt[#1]#2{%

+\iforigpt \typeout{command `cinnolinevt' %

+ is based on `decaheterovt'.}\fi%

+\decaheterovt[#1]{1==N;2==N}{#2}}

+%    \end{macrocode}

+% \end{macro}

+% \end{macro}

+% \end{macro}

+% \end{macro}

+%

+% \begin{macro}{\pteridinev}

+% \begin{macro}{\pteridinevi}

+% \begin{macro}{\pteridinevb}

+% \begin{macro}{\pteridinevt}

+% \changes{v1.02}{1998/10/18}{Newly added commands: 

+% \cs{pteridinevb} and \cs{pteridinevt}}

+%    \begin{macrocode}

+\def\pteridinev{\@ifnextchar[{\@pteridinev[@}{\@pteridinev[acfhk]}}

+\def\@pteridinev[#1]#2{%

+\iforigpt \typeout{command `pteridinev' %

+ is based on `decaheterov'.}\fi%

+\decaheterov[#1]{1==N;3==N;5==N;8==N}{#2}}

+\def\pteridinevi{\@ifnextchar[{\@pteridinevi[@}{\@pteridinevi[acfhk]}}

+\def\@pteridinevi[#1]#2{%

+\iforigpt \typeout{command `pteridinevi' %

+ is based on `decaheterovi'.}\fi%

+\decaheterovi[#1]{1==N;3==N;5==N;8==N}{#2}}

+\def\pteridinevb{\@ifnextchar[{\@pteridinevb[@}{\@pteridinevb[acfhk]}}

+\def\@pteridinevb[#1]#2{%

+\iforigpt \typeout{command `pteridinevb' %

+ is based on `decaheterovb'.}\fi%

+\decaheterovb[#1]{1==N;3==N;5==N;8==N}{#2}}

+\def\pteridinevt{\@ifnextchar[{\@pteridinevt[@}{\@pteridinevt[acfhk]}}

+\def\@pteridinevt[#1]#2{%

+\iforigpt \typeout{command `pteridinevt' %

+ is based on `decaheterovt'.}\fi%

+\decaheterovt[#1]{1==N;3==N;5==N;8==N}{#2}}

+%    \end{macrocode}

+% \end{macro}

+% \end{macro}

+% \end{macro}

+% \end{macro}

+%

+% \section{Six-to-five fused heterocycles}

+% \subsection{Vertical type}

+%

+% The standard skeleton of a six-to-five fused heterocycle is selected 

+% to have the following locant numbers. 

+%

+% \begin{verbatim}

+% **************************

+% * nonahetero derivatives *

+% *  (vertical type)       *

+% **************************

+% The following numbering is adopted in this macro. 

+%

+%          4

+%          *  3a(8) 

+%     5  *   * _____  3

+%       |     |     |

+%       |     |     |

+%     6  *   * *   *  2

+%          *  7a *

+%          7 (9) 1

+%          ^

+%          |

+%          the original point

+% \end{verbatim}

+%

+% The macro |\nonaheterov| has two arguments |ATOMLIST| and |SUBSLIST| 

+% as well as an optional argument |BONDLIST|.  

+% Two optional arguments |SKBONDLIST| and |OMIT| are added to 

+% treat stereochemical information or other bond situations. 

+%

+% \begin{verbatim}

+%   \nonaheterov(SKBONDLIST)[BONDLIST]{ATOMLIST}{SUBSLIST}[OMIT]

+% \end{verbatim}

+%

+% The |SKBONDLIST| argument contains pairs of two alphabets in 

+% parentheses, e.g. (\{bA\}\{fB\}).  Each pair contains a lowercase 

+% character selected from bond specifiers `a' to `j' and a uppercase

+% character `A' or `B'. 

+%

+% The |BONDLIST| argument contains one 

+% character selected from a to j, each of which indicates the presence of 

+% an inner (endcyclic) double bond on the corresponding position. 

+% The options `A' and `B' represent aromatic circles in two rings. 

+% The option `$n+$' ($n=1$ to $9$) represents a plus charge on a hetero atom 

+% at the $n$-position. 

+%

+% \begin{verbatim}  

+%     BONDLIST:  list of bonds 

+%

+%           none or r  :  aromatic six-membered ring

+%           []         :  fully saturated form

+%           a    :  1,2-double bond      b    :  2,3-double bond

+%           c    :  3,3a-double bond     d    :  4,3a-double bond

+%           e    :  4,5-double bond      f    :  5,6-double bond

+%           g    :  6,7-double bond      h    :  7,7a-double bond

+%           i    :  1,7a-double bond     

+%           j    :  3a,4a-double bond

+%           J    :  3a,4a-double bond in the other ring

+%           A    :  aromatic circle (six-membered ring)

+%           B    :  aromatic circle (five-membered ring)

+%           {n+}       :  plus at the n-nitrogen atom (n = 1 to 9)

+% \end{verbatim}

+%

+% The |ATOMLIST| argument contains one or more heteroatom descriptors 

+% which are separated from each other by a semicolon.  Each heteroatom 

+% descriptor consists of a locant number and a heteroatom, 

+% where these are separated with a double equality symbol. 

+%

+% \begin{verbatim}

+%     ATOMLIST: list of heteroatoms (max 9 atoms)

+%

+%       for n = 1 to 7

+%

+%            n         : Hetero atom, e.g. N, O, etc. at n-position

+%                        e.g. 1==N for N at 1-position

+%            na        : Hetero atom at 3a or 7b (n=3 or 7)

+%                        e.g. 3a==N (or 8==N) for N at 4a-position

+%                             7a==N (or 9==N) for N at 8a-position

+% \end{verbatim}

+%

+% The |SUBSLIST| argument contains one or more substitution descriptors 

+% which are separated from each other by a semicolon.  Each substitution 

+% descriptor has a locant number with a bond modifier and a substituent, 

+% where these are separated with a double equality symbol. 

+%

+% \begin{verbatim}

+%     SUBSLIST: list of substituents

+%

+%       for n = 1 to 8

+%

+%           nD         :  exocyclic double bond at n-atom

+%           n or nS    :  exocyclic single bond at n-atom

+%           nA         :  alpha single bond at n-atom

+%           nB         :  beta single bond at n-atom

+%           nSA        :  alpha single bond at n-atom (boldface)

+%           nSB        :  beta single bond at n-atom (dotted line)

+%           nSa        :  alpha (not specified) single bond at n-atom

+%           nSb        :  beta (not specified) single bond at n-atom

+%

+%           nSd        :  alpha single bond at n-atom (dotted line) 

+%                           with an alternative direction to nSA 

+%           nSu        :  beta single bond at n-atom (boldface) 

+%                           with an alternative direction to nSB 

+%           nFA        :  alpha single bond at n-atom (dotted line) 

+%                           for ring fusion 

+%           nFB        :  beta single bond at n-atom (boldface) 

+%                           for ring fusion 

+%           nGA        :  alpha single bond at n-atom (dotted line) 

+%                           for the other ring fusion 

+%           nGB        :  beta single bond at n-atom (boldface) 

+%                           for the other ring fusion 

+%

+%       for 8 (3a position) and 9 (7a position)

+%

+%           nD         :  exocyclic double bond at n-atom

+%           n or nS    :  exocyclic single bond at n-atom

+%           nA         :  alpha single bond at n-atom

+%           nB         :  beta single bond at n-atom

+% \end{verbatim}

+%

+% The argument |OMIT| represents one or more bonds to be omitted. 

+% The omitted edges may be regarded as both fused and non-fused 

+% positions. 

+%

+% \begin{verbatim}

+%     OMIT:  one or more bonds omitted (a to j: see BONDLIST)

+% \end{verbatim}

+%

+% Several examples are shown as follows.

+% \begin{verbatim}

+%       e.g. 

+%        

+%        \nonaheterov{1==N}{1==Cl;2==F}

+%        \nonaheterov[c]{1==N}{1==Cl;4==F;2==CH$_{3}$}

+% \end{verbatim}

+%

+% The definition of |\nonaheterov| uses a picture environment and 

+% consists of the same unit processes as shown in |\sixheterov|: 

+% \begin{enumerate}

+% \item treatment of atom list, 

+% \item placing outer skeletons, 

+% \item placing inner double bonds, 

+% \item setting hetero atoms, and 

+% \item placing substituents by using |\setsixringv| several times in 

+% a restricted fashion. 

+% \end{enumerate}

+% \changes{v1.02}{1998/10/31}{Adding \cs{ylposition}, \cs{if@ylsw},

+% \cs{yl@shifti}, \cs{@ylii}, \cs{yl@shiftii}, \cs{@ylii}, 

+% \cs{yl@xdiff} and \cs{yl@ydiff}}

+% \changes{v2.00}{1998/12/5}{Add: fused and spiro rings}

+%

+% \begin{macro}{\nonaheterov}

+% \begin{macro}{\@nona@heterov}

+% \begin{macro}{\@nona@@heterov}

+% \begin{macro}{\@nonaheterov}

+%    \begin{macrocode}

+\def\nonaheterov{\@ifnextchar({\@nona@heterov(@}{\@nona@heterov(@)}}

+\def\@nona@heterov(#1){\@ifnextchar[{\@nona@@heterov(#1)[@}%

+{\@nona@@heterov(#1)[@]}}

+\def\@nona@@heterov(#1)[#2]#3#4{\@ifnextchar[%

+{\@nonaheterov(#1)[#2]{#3}{#4}[@}%

+{\@nonaheterov(#1)[#2]{#3}{#4}[@]}}

+\def\@nonaheterov(#1)[#2]#3#4[#5]{%

+%    \end{macrocode}

+%

+%    \begin{macrocode}

+% %%%%%%%%%%%%%%%%%%%%%%%%%%

+% % treatment of atom list %

+% %%%%%%%%%%%%%%%%%%%%%%%%%%

+\iniflag\iniatom%

+\test@vertix@nonav{#3}%

+% %%%%%%%%%%%%%%%%%%%%%%%

+% % adjustment for (yl) %

+% %%%%%%%%%%%%%%%%%%%%%%%

+\@reset@ylsw%

+\ylposition{#4}{5}{1}{5}{-1}% %substituents on 1 to 3

+\if@ylsw \ifx\@@ylii\empty

+\def\@@ylii{-342}\def\@@yli{0}\fi

+\else

+{\let\ddd=\eee\let\eee=\fff\let\fff=\ggg

+\ylposition{#4}{11}{3}{7}{-1}% %substituents on 5 to 7

+}%

+\fi

+\if@ylsw \ifx\@@ylii\empty

+\def\@@ylii{0}\def\@@yli{0}\fi

+\else

+{\let\aaa=\hhh

+\ylposition{#4}{-3}{0}{2}{0}%%substituent on 4

+}%

+\fi

+\if@ylsw \ifx\@@ylii\empty

+\def\@@ylii{0}\def\@@yli{0}\fi

+\else

+{%

+\clipdetection%

+\@clipfusefalse \if@iclip \@clipfusetrue \fi%

+\ylatombondposition{#4}{-8}{7}%   %9 %for 7a position

+}%

+\fi

+\if@ylsw \ifx\@@ylii\empty

+\def\@@ylii{-171}\def\@@yli{-103}\fi

+\else

+{%

+\clipdetection%

+\@clipfusefalse \if@jclip \@clipfusetrue \fi%

+\ylatombondposition{#4}{-7}{1}%   %8 for 3a position

+}%

+\fi

+\if@ylsw \ifx\@@ylii\empty

+\def\@@ylii{-171}\def\@@yli{-303}\fi

+\fi

+\if@ylsw

+ \yl@shiftii=\@ylii

+ \yl@shifti=\@yli

+ \advance\yl@shiftii\@@ylii

+ \advance\yl@shifti\@@yli

+ \advance\yl@shiftii\yl@xdiff

+ \advance\yl@shifti\yl@ydiff

+ \begin{picture}(0,0)(-\yl@shiftii,-\yl@shifti)

+ \reset@yl@xydiff%1999/1/6 by S. Fujita

+\else

+ \begin{picture}(1200,880)(-\shiftii,-\shifti)%

+  \iforigpt \put(-\shiftii,-\shifti){\circle*{50}}%

+           \put(-\noshift,-\noshift){\circle{50}}% 

+   \typeout{command `nonaheterov' origin: %

+    (\the\noshift,\the\noshift) ---> (\the\shiftii,\the\shifti)}\fi%

+\fi

+%    \end{macrocode}

+%

+%    \begin{macrocode}

+% %%%%%%%%%%%%%%%%%%

+% % outer skeleton %

+% %%%%%%%%%%%%%%%%%%

+\begingroup

+\resetbdsw%

+\@bond@@omit{#5}%

+{\let\fff=\jjj \let\eee=\iii%

+\put(342,0){\set@skel@bond{#1}{a}{c}}%

+  % bond between 1 and 2 \@aaa -> \skbondc etc

+\put(342,0){\set@skel@bond{#1}{b}{b}}%

+  % bond between 2 and 3 \@bbb -> \skbondb etc

+\put(342,0){\set@skel@longbond{#1}{c}{skbondhoriz}}%

+  % bond between 3 and 3a \@ccc -> \skbondhoriz etc

+\put(342,0){\set@skel@bond{#1}{j}{e}}%

+  % bond between 3a and 7a \@jjj -> \skbonde etc

+\put(342,0){\set@skel@bond{#1}{i}{d}}%

+  % bond between 7a and 1 \@iii -> \skbondd etc

+}%

+{\let\aaa=\hhh \let\ddd=\eee\let\eee=\fff\let\fff=\ggg%

+ \let\ccc=\iii\let\bbb=\jjj%

+\set@skel@bond{#1}{d}{a}% bond between 3a and 4 \@ddd -> \skbonda etc

+\set@skel@bond{#1}{h}{c}% bond between 7 and 7a \@hhh -> \skbondc etc

+\set@skel@bond{#1}{g}{d}% bond between 6 and 7 \@ggg -> \skbondd etc

+\set@skel@bond{#1}{f}{e}% bond between 5 and 6 \@fff -> \skbonde etc

+\set@skel@bond{#1}{e}{f}% bond between 4 and 5 \@eee -> \skbondf etc

+}%

+\endgroup

+%    \end{macrocode}

+%

+%    \begin{macrocode}

+% %%%%%%%%%%%%%%%%%%%%%

+% % inner double bond %

+% %%%%%%%%%%%%%%%%%%%%%

+\@tfor\member:=#2\do{%

+\if\member r\relax%

+{\let\aaa=\hhh \let\ddd=\eee\let\eee=\fff\let\fff=\ggg%

+ \let\ccc=\iii\let\bbb=\jjj%

+ \put(0,0){\bondb}% bond between 3a and 7a

+ \put(0,0){\bondf}% bond between 4 and 5

+ \put(0,0){\bondd}% bond between 6 and 7

+}%

+\else\if\member l\relax%

+\else\if\member a\relax%

+ \put(342,0){\bondc}% bond between 3 and 4

+\else\if\member b\relax%

+ \put(342,0){\bondb}% bond between 2 and 3

+\else\if\member c\relax%

+ \put(342,0){\bondhoriz}% bond between 3 and 3a

+\else\if\member d\relax%

+{\let\aaa=\hhh \let\bbb=\jjj%

+ \put(0,0){\bonda}% bond between 4 and 3a

+}

+\else\if\member e\relax%

+{\let\aaa=\hhh \let\fff=\ggg%

+ \put(0,0){\bondf}% bond between 4 and 5

+}%

+\else\if\member f\relax%

+{\let\eee=\fff \let\fff=\ggg%

+ \put(0,0){\bonde}% bond between 5 and 6

+}%

+\else\if\member g\relax%

+{\let\ddd=\eee \let\eee=\fff%

+ \put(0,0){\bondd}% bond between 6 and 7

+}%

+\else\if\member h\relax%

+{\let\ccc=\iii \let\ddd=\eee%

+ \put(0,0){\bondc}% bond between 7 and 7a

+}%

+\else\if\member i\relax%

+{\let\eee=\iii%

+ \put(342,0){\bondd}% bond between 1 and 7a

+}%

+\else\if\member j\relax%

+{\let\ccc=\iii\let\bbb=\jjj%

+ \put(0,0){\bondb}% bond between 7a and 3a

+}%

+\else\if\member J\relax%

+{\let\eee=\iii\let\fff=\jjj%

+ \put(342,0){\bonde}% bond between 7a and 3a

+}%

+\else\if\member A%left aromatic circle 

+  \put(0,203){\circle{240}}               %circle

+\else\if\member B%left aromatic circle 

+  \put(342,173){\circle{180}}               %circle 1993/11/20 S.Fujita

+\else 

+ \expandafter\twoCH@@R\member//%

+  \def\aax{7a} \def\aay{3a}%

+      \if\@@tmpa 1\relax%

+        \putratom{304}{68}{\@@tmpb}%       % right type

+      \else\if\@@tmpa 2\relax%

+        \putratom{402}{120}{\@@tmpb}%      % right type

+      \else\if\@@tmpa 3\relax%

+        \putratom{402}{253}{\@@tmpb}%      % right type

+      \else\if\@@tmpa 4\relax%

+        \putratom{-38}{282}{\@@tmpb}%      % right type

+      \else\if\@@tmpa 5\relax%

+        \putlatom{-60}{120}{\@@tmpb}%      % left type

+      \else\if\@@tmpa 6\relax%

+        \putlatom{-60}{253}{\@@tmpb}%      % left type

+      \else\if\@@tmpa 7\relax%

+        \putratom{-38}{68}{\@@tmpb}%       % right type

+      \else\if\@@tmpa 8\relax%

+        \putratom{60}{253}{\@@tmpb}%       % right type

+      \else\ifx\@@tmpa\aax\relax%

+        \putratom{60}{253}{\@@tmpb}%       % right type

+      \else\ifx\@@tmpa\aay\relax%

+        \putratom{60}{120}{\@@tmpb}%       % right type

+      \else\if\@@tmpa 9\relax%

+        \putratom{60}{120}{\@@tmpb}%       % right type

+      \fi\fi\fi\fi\fi\fi\fi\fi\fi\fi\fi%

+% ***********************

+% * setting fused rings *

+% ***********************

+   \expandafter\twoCH@R\member//%

+   \set@fusion@nonav

+\fi\fi\fi\fi\fi\fi\fi\fi\fi%

+\fi\fi\fi\fi\fi\fi%

+}%

+%    \end{macrocode}

+%

+%    \begin{macrocode}

+% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%

+% % setting hetero atoms and spiro rings %

+% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%

+\iniflag\iniatom%

+\@tmpclipfalse

+%position 7 should be treated befor position 1 (using the same \if@clip)

+\put(0,0){\set@hetatom@sixv{#3}{11}{3}{7}{-1}%

+ \@gclipfalse \if@fclip \global\@gcliptrue \fi%

+ \@fclipfalse \if@eclip \global\@fcliptrue \fi%      

+ \@eclipfalse \if@clip \global\@ecliptrue \fi%

+}%substituents on 5 to 7

+\put(342,0){\set@hetatom@sixv{#3}{5}{1}{5}{-1}%

+   \if@bclip \global\@bcliptrue\fi

+   \if@cclip \global\@ccliptrue\fi

+   \if@clip \global\@cliptrue\fi

+}% %substituents on 1 to 3

+\put(0,0){\set@hetatom@sixv{#3}{-3}{0}{2}{0}%

+ \@aclipfalse \if@aclip \global\@hcliptrue \fi%

+}%%substituent on 4

+\put(0,0){\set@vrtx@nonafusev{#3}%

+  \@tmpclipfalse

+  \if@iclip \global\@tmpcliptrue \fi

+  \if@jclip \global\@icliptrue \fi

+  \if@tmpclip \global\@jcliptrue \fi

+}% fused positions

+%    \end{macrocode}

+%

+%    \begin{macrocode}

+% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%

+% % setting substituents and exocyclic bonds %

+% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%

+\put(342,0){\setsixringv{#4}{5}{1}{5}{-1}}% %substituents on 1 to 3

+{\@clipfalse \if@eclip \@cliptrue \fi%      %substituents on 5 to 7

+ \@eclipfalse \if@fclip \@ecliptrue \fi%

+ \@fclipfalse \if@gclip \@fcliptrue \fi%

+\put(0,0){\setsixringv{#4}{11}{3}{7}{-1}}%

+}%

+{\@aclipfalse \if@hclip \@acliptrue \fi%    %substituent on 4

+\put(0,0){\setsixringv{#4}{-3}{0}{2}{0}}%

+}%

+{\@clipfusefalse \if@iclip \@clipfusetrue \fi%

+ \put(171,103){\setatombond{#4}{-8}{7}}%    %9 for 7a position

+}%

+{\@clipfusefalse \if@jclip \@clipfusetrue \fi%

+  \put(171,303){\setatombond{#4}{-7}{1}}%   %8 for 3a position

+}%

+\end{picture}\iniatom\iniflag}%    %end of \nonaheterov macro

+%    \end{macrocode}

+% \end{macro}

+% \end{macro}

+% \end{macro}

+% \end{macro}

+%

+% The macro |\test@vertix@nonav| is used to test the presence of 

+% a hetero atom or a spiro substituent on a vertex of the 

+% nonaheterov nucleus. 

+% \changes{v2.00}{1998/12/05}{New command: \cs{test@vertix@nonav}}

+%

+% \begin{macro}{\test@vertix@nonav}

+%    \begin{macrocode}

+\def\test@vertix@nonav#1{%

+\@forsemicol\member:=#1\do{%

+\ifx\member\empty\else%

+\expandafter\@m@mb@r\member;\relax%

+\expandafter\twoch@r\@membera{}%

+\ifcase\@tmpa%

+ \or%

+   \if\@tmpb s\relax\def\ddd{}\else\def\ddd{@}\fi

+ \or%2

+   \if\@tmpb s\relax\def\ccc{}\else\def\ccc{@}\fi

+ \or%3%

+   \if\@tmpb a%

+     \def\jjj{@}%3a

+   \else\if\@tmpb s%

+     \def\bbb{}%3

+   \else\if\@tmpb h%

+     \def\bbb{@}%3

+   \else\ifx\@tmpb\empty%

+     \def\bbb{@}%3

+   \fi\fi\fi\fi%

+ \or%4

+   \if\@tmpb s\relax\def\hhh{}\else\def\hhh{@}\fi

+ \or%5

+   \if\@tmpb s\relax\def\ggg{}\else\def\ggg{@}\fi

+ \or%6

+   \if\@tmpb s\relax\def\fff{}\else\def\fff{@}\fi

+ \or%7

+   \if\@tmpb a%

+     \xdef\iii{@}%7a

+   \else\if\@tmpb s%

+     \xdef\eee{}%7s

+   \else\if\@tmpb h%

+     \xdef\eee{@}%7h

+   \else\ifx\@tmpb\empty%

+     \xdef\eee{@}%7

+   \fi\fi\fi\fi%

+\or%8 (= 3a)

+   \if\@tmpb s\relax\def\jjj{}\else\def\jjj{@}\fi

+\or%9 (= 7a)

+   \if\@tmpb s\relax\def\iii{}\else\def\iii{@}\fi

+\fi\fi}}% end of \test@vertix@nonav

+%    \end{macrocode}

+% \end{macro}

+%

+% The macro |\set@vrtx@nonafusev| is used to set 

+% a hetero atom or on a vertex of a bridgehead location.  

+%

+% \begin{macro}{\set@vrtx@nonafusev}

+%    \begin{macrocode}

+\def\set@vrtx@nonafusev#1{%

+\@forsemicol\member:=#1\do{%

+\ifx\member\empty\else%

+\expandafter\@m@mb@r\member;\relax%

+\expandafter\twoch@r\@membera{}%

+\ifcase\@tmpa\or\or

+ \or%%%%3

+   \if\@tmpb a%

+     \global\@icliptrue%

+     \putlatom{207}{280}{\@memberb}% % left type

+   \else\relax

+   \fi

+ \or\or\or

+ \or%7

+   \if\@tmpb a%

+     \global\@jcliptrue%

+     \putlatom{207}{65}{\@memberb}%  % left type

+   \else\relax

+   \fi

+\or%8 (= 3a)

+     \global\@icliptrue%

+     \putlatom{207}{280}{\@memberb}% % left type

+\or%9 (= 7a)

+     \global\@jcliptrue%

+     \putlatom{207}{65}{\@memberb}%  % left type

+\fi\fi}%

+}% end of the macro \set@vrtx@nonafusev

+%    \end{macrocode}

+% \end{macro}

+%

+% \subsection{Inverse vertical type}

+%

+% The standard skeleton of a six-to-five fused heterocycle is selected 

+% to have the following locant numbers. 

+%

+% \begin{verbatim}

+% **********************************

+% * nonahetero derivatives         *

+% *  (vertical type, inverse type) *

+% **********************************

+% The following numbering is adopted in this macro. 

+%

+%          7(10) 1

+%          * 7a  *

+%     6  *   * *   *  2

+%       |     |     |

+%       |     |_____|

+%     5  *   *        3

+%          *  3a(8) 

+%          4 

+%          ^

+%          |

+%          the original point

+% \end{verbatim}

+%

+% The macro |\nonaheterovi| has two arguments |ATOMLIST| and |SUBSLIST| 

+% as well as an optional argument |BONDLIST|.  

+% Two optional arguments |SKBONDLIST| and |OMIT| are added to 

+% treat stereochemical information or other bond situations. 

+%

+% \begin{verbatim}

+%   \nonaheterovi(SKBONDLIST)[BONDLIST]{ATOMLIST}{SUBSLIST}[OMIT]

+% \end{verbatim}

+%

+% The |SKBONDLIST| argument contains pairs of two alphabets in 

+% parentheses, e.g. (\{bA\}\{fB\}).  Each pair contains a lowercase 

+% character selected from bond specifiers `a' to `j' and a uppercase

+% character `A' or `B'. 

+%

+% The |BONDLIST| argument contains one 

+% character selected from a to j, each of which indicates the presence of 

+% an inner (endcyclic) double bond on the corresponding position. 

+% The options `A' and `B' represent aromatic circles in two rings. 

+% The option `$n+$' ($n=1$ to $9$) represents a plus charge on a hetero atom 

+% at the $n$-position. 

+%

+% \begin{verbatim}

+%     BONDLIST:  list of bonds 

+%

+%           none or r  :  aromatic six-membered ring

+%           []         :  fully saturated form

+%           a    :  1,2-double bond      b    :  2,3-double bond

+%           c    :  3,3a-double bond     d    :  4,3a-double bond

+%           e    :  4,5-double bond      f    :  5,6-double bond

+%           g    :  6,7-double bond      h    :  7,7a-double bond

+%           i    :  1,7a-double bond     

+%           j    :  3a,4a-double bond

+%           J    :  3a,4a-double bond in the other ring

+%           A    :  aromatic circle (six-membered ring)

+%           B    :  aromatic circle (five-membered ring)

+%           {n+}       :  plus at the n-nitrogen atom (n = 1 to 9)

+% \end{verbatim}

+%

+% The |ATOMLIST| argument contains one or more heteroatom descriptors 

+% which are separated from each other by a semicolon.  Each heteroatom 

+% descriptor consists of a locant number and a heteroatom, 

+% where these are separated with a double equality symbol. 

+%

+% \begin{verbatim}

+%     ATOMLIST: list of heteroatoms (max 9 atoms)

+%

+%       for n = 1 to 7

+%

+%            n         : Hetero atom, e.g. N, O, etc. at n-position

+%                        e.g. 1==N for N at 1-position

+%            na        : Hetero atom at 3a or 7b (n=3 or 7)

+%                        e.g. 3a==N (or 8==N) for N at 4a-position

+%                             7a==N (or 9==N) for N at 8a-position

+% \end{verbatim}

+%

+% The |SUBSLIST| argument contains one or more substitution descriptors 

+% which are separated from each other by a semicolon.  Each substitution 

+% descriptor has a locant number with a bond modifier and a substituent, 

+% where these are separated with a double equality symbol. 

+%

+% \begin{verbatim}

+%     SUBSLIST: list of substituents

+%

+%       for n = 1 to 8

+%

+%           nD         :  exocyclic double bond at n-atom

+%           n or nS    :  exocyclic single bond at n-atom

+%           nA         :  alpha single bond at n-atom

+%           nB         :  beta single bond at n-atom

+%           nSA        :  alpha single bond at n-atom (boldface)

+%           nSB        :  beta single bond at n-atom (dotted line)

+%           nSa        :  alpha (not specified) single bond at n-atom

+%           nSb        :  beta (not specified) single bond at n-atom

+%

+%           nSd        :  alpha single bond at n-atom (dotted line) 

+%                           with an alternative direction to nSA 

+%           nSu        :  beta single bond at n-atom (boldface) 

+%                           with an alternative direction to nSB 

+%           nFA        :  alpha single bond at n-atom (dotted line) 

+%                           for ring fusion 

+%           nFB        :  beta single bond at n-atom (boldface) 

+%                           for ring fusion 

+%           nGA        :  alpha single bond at n-atom (dotted line) 

+%                           for the other ring fusion 

+%           nGB        :  beta single bond at n-atom (boldface) 

+%                           for the other ring fusion 

+%

+%       for 8 (3a position) and 9 (7a position)

+%

+%           nD         :  exocyclic double bond at n-atom

+%           n or nS    :  exocyclic single bond at n-atom

+%           nA         :  alpha single bond at n-atom

+%           nB         :  beta single bond at n-atom

+% \end{verbatim}

+%

+% The argument |OMIT| represents one or more bonds to be omitted. 

+% The omitted edges may be regarded as both fused and non-fused 

+% positions. 

+%

+% \begin{verbatim}

+%     OMIT:  one or more bonds omitted (a to j: see BONDLIST)

+% \end{verbatim}

+%

+% Several examples are shown as follows.

+% \begin{verbatim}

+%       e.g. 

+%        

+%        \nonaheterovi{1==N}{1==Cl;2==F}

+%        \nonaheterovi[c]{1==N}{1==Cl;4==F;2==CH$_{3}$}

+% \end{verbatim}

+%

+% The definition of |\nonaheterovi| uses a picture environment and 

+% consists of the same unit processes as shown in |\sixheterov|: 

+% \begin{enumerate}

+% \item treatment of atom list, 

+% \item placing outer skeletons, 

+% \item placing inner double bonds, 

+% \item setting hetero atoms, and 

+% \item placing substituents by using |\setsixringv| several times in 

+% a restricted fashion. 

+% \end{enumerate}

+% \changes{v1.02}{1998/10/31}{Adding \cs{ylposition}, \cs{if@ylsw},

+% \cs{yl@shifti}, \cs{@ylii}, \cs{yl@shiftii}, \cs{@ylii}, 

+% \cs{yl@xdiff} and \cs{yl@ydiff}}

+% \changes{v2.00}{1998/12/05}{Added: spiro and fused rings}

+%

+% \begin{macro}{\nonaheterovi}

+% \begin{macro}{\@nona@heterovi}

+% \begin{macro}{\@nona@@heterovi}

+% \begin{macro}{\@nonaheterovi}

+%    \begin{macrocode}

+\def\nonaheterovi{\@ifnextchar({\@nona@heterovi(@}{\@nona@heterovi(@)}}

+\def\@nona@heterovi(#1){\@ifnextchar[{\@nona@@heterovi(#1)[@}%

+{\@nona@@heterovi(#1)[@]}}

+\def\@nona@@heterovi(#1)[#2]#3#4{\@ifnextchar[%

+{\@nonaheterovi(#1)[#2]{#3}{#4}[@}%

+{\@nonaheterovi(#1)[#2]{#3}{#4}[@]}}

+\def\@nonaheterovi(#1)[#2]#3#4[#5]{%

+%    \end{macrocode}

+%

+%    \begin{macrocode}

+% %%%%%%%%%%%%%%%%%%%%%%%%%%

+% % treatment of atom list %

+% %%%%%%%%%%%%%%%%%%%%%%%%%%

+\iniflag\iniatom%initialize

+\test@vertix@nonavi{#3}%

+% %%%%%%%%%%%%%%%%%%%%%%%

+% % adjustment for (yl) %

+% %%%%%%%%%%%%%%%%%%%%%%%

+\@reset@ylsw%

+\ylposition{#4}{0}{0}{4}{0}% %substituents on 1 to 3

+\if@ylsw \ifx\@@ylii\empty

+\def\@@ylii{-342}\def\@@yli{0}\fi

+\else

+{\let\ddd=\eee\let\eee=\fff\let\fff=\ggg

+\ylposition{#4}{0}{3}{7}{0}%%substituents on 4 to 6

+}%

+\fi

+\if@ylsw \ifx\@@ylii\empty

+\def\@@ylii{0}\def\@@yli{0}\fi

+\else

+{\let\aaa=\hhh

+\ylposition{#4}{-6}{0}{2}{0}%%substituent on 7

+}%

+\fi

+\if@ylsw \ifx\@@ylii\empty

+\def\@@ylii{0}\def\@@yli{0}\fi

+\else

+{%

+\clipdetection%

+\@clipfusefalse \if@iclip \@clipfusetrue \fi%

+\ylatombondposition{#4}{-7}{7}%   %8 for 3a position

+}%

+\fi

+\if@ylsw \ifx\@@ylii\empty

+\def\@@ylii{-171}\def\@@yli{-103}\fi

+\else

+{%

+\clipdetection%

+\@clipfusefalse \if@jclip \@clipfusetrue \fi%

+\ylatombondposition{#4}{-8}{1}%  %9 for 7a position

+}%

+\fi

+\if@ylsw \ifx\@@ylii\empty

+\def\@@ylii{-171}\def\@@yli{-303}\fi

+\fi

+\if@ylsw

+ \yl@shiftii=\@ylii

+ \yl@shifti=\@yli

+ \advance\yl@shiftii\@@ylii

+ \advance\yl@shifti\@@yli

+ \advance\yl@shiftii\yl@xdiff

+ \advance\yl@shifti\yl@ydiff

+ \begin{picture}(0,0)(-\yl@shiftii,-\yl@shifti)

+ \reset@yl@xydiff%1999/1/6 by S. Fujita

+\else

+ \begin{picture}(1200,880)(-\shiftii,-\shifti)%

+  \iforigpt \put(-\shiftii,-\shifti){\circle*{50}}%

+           \put(-\noshift,-\noshift){\circle{50}}% 

+   \typeout{command `nonaheterovi' origin: %

+    (\the\noshift,\the\noshift) ---> (\the\shiftii,\the\shifti)}\fi%

+\fi

+%    \end{macrocode}

+%

+%    \begin{macrocode}

+% %%%%%%%%%%%%%%%%%%

+% % outer skeleton %

+% %%%%%%%%%%%%%%%%%%

+\begingroup

+\resetbdsw%

+\@bond@@omit{#5}%

+{\let\fff=\jjj \let\eee=\iii%

+\put(342,0){\set@skel@bond{#1}{a}{a}}%

+  % bond between 1 and 2 \@aaa -> \skbonda etc

+\put(342,0){\set@skel@bond{#1}{b}{b}}%

+  % bond between 2 and 3 \@bbb -> \skbondb etc

+\put(342,0){\set@skel@longbond{#1}{c}{skbondhorizi}}%

+  % bond between 3 and 3a \@ccc -> \skbondhoriz etc

+\put(342,0){\set@skel@bond{#1}{j}{e}}%

+  % bond between 3a and 7a \@jjj -> \skbonde etc

+\put(342,0){\set@skel@bond{#1}{i}{f}}%

+  % bond between 7a and 1 \@iii -> \skbondf etc

+%

+% \put(342,0){\skbonda}% bond between 1 and 2

+% \put(342,0){\skbondb}% bond between 2 and 3

+% \put(342,0){\skbonde}% bond between 7a and 3a

+% \put(342,0){\skbondf}% bond between 1 and 7a

+% \put(342,0){\skbondhorizi}% bond between 3 and 3a

+}%

+{\let\aaa=\hhh \let\ddd=\eee\let\eee=\fff\let\fff=\ggg%

+ \let\ccc=\iii\let\bbb=\jjj%

+\set@skel@bond{#1}{h}{a}% bond between 7a and 7 \@hhh -> \skbonda etc

+\set@skel@bond{#1}{d}{c}% bond between 3a and 4 \@ddd -> \skbondc etc

+\set@skel@bond{#1}{e}{d}% bond between 4 and 5 \@eee -> \skbondd etc

+\set@skel@bond{#1}{f}{e}% bond between 5 and 6 \@fff -> \skbonde etc

+\set@skel@bond{#1}{g}{f}% bond between 6 and 7 \@ggg -> \skbondf etc

+%

+% \put(0,0){\skbonda}% bond between 7 and 7a

+% \put(0,0){\skbondc}% bond between 4 and 3a

+% \put(0,0){\skbondf}% bond between 6 and 7

+% \put(0,0){\skbondd}% bond between 4 and 5 

+% \put(0,0){\skbonde}% bond between 5 and 6 

+}%

+\endgroup

+%    \end{macrocode}

+%

+%    \begin{macrocode}

+% %%%%%%%%%%%%%%%%%%%%%

+% % inner double bond %

+% %%%%%%%%%%%%%%%%%%%%%

+\@tfor\member:=#2\do{%

+\if\member r\relax%

+{\let\aaa=\hhh \let\ddd=\eee\let\eee=\fff\let\fff=\ggg

+ \let\ccc=\iii\let\bbb=\jjj

+ \put(0,0){\bondb}% bond between 3a and 7a

+ \put(0,0){\bondf}% bond between 6 and 7

+ \put(0,0){\bondd}% bond between 4 and 5

+}%

+\else\if\member l\relax%

+\else\if\member a\relax%

+ \put(342,0){\bonda}% bond between 1 and 2

+\else\if\member b\relax%

+ \put(342,0){\bondb}% bond between 2 and 3

+\else\if\member c\relax%

+ \put(342,0){\bondhorizi}% bond between 3 and 3a

+\else\if\member d\relax%

+{\let\ccc=\iii \let\ddd=\eee%

+ \put(0,0){\bondc}% bond between 4 and 3a

+}%

+\else\if\member e\relax%

+{\let\ddd=\eee\let\eee=\fff%

+ \put(0,0){\bondd}% bond between 4 and 5

+}%

+\else\if\member f\relax%

+{\let\eee=\fff \let\fff=\ggg%

+ \put(0,0){\bonde}% bond between 5 and 6

+}%

+\else\if\member g\relax%

+{\let\aaa=\hhh \let\fff=\ggg%

+ \put(0,0){\bondf}% bond between 7 and 6

+}%

+\else\if\member h\relax%

+{\let\aaa=\hhh \let\bbb=\jjj%

+ \put(0,0){\bonda}% bond between 7 and 7a

+}%

+\else\if\member i\relax%

+{\let\fff=\jjj%

+ \put(342,0){\bondf}% bond between 1 and 7a

+}%

+\else\if\member j\relax%

+{\let\ccc=\iii\let\bbb=\jjj%

+ \put(0,0){\bondb}% bond between 7a and 3a

+}%

+\else\if\member J\relax%

+{\let\eee=\iii\let\fff=\jjj%

+ \put(342,0){\bonde}% bond between 7a and 3a

+}%

+\else\if\member A%left aromatic circle 

+  \put(0,203){\circle{240}}%               %circle

+\else\if\member B%left aromatic circle 

+  \put(342,233){\circle{180}}               %circle 1993/11/20 S.Fujita

+\else 

+ \expandafter\twoCH@@R\member//%

+  \def\aax{7a} \def\aay{3a}%

+      \if\@@tmpa 1\relax%

+        \putratom{304}{282}{\@@tmpb}%       % right type

+      \else\if\@@tmpa 3\relax%

+        \putratom{402}{120}{\@@tmpb}%      % right type

+      \else\if\@@tmpa 2\relax%

+        \putratom{402}{253}{\@@tmpb}%      % right type

+      \else\if\@@tmpa 7\relax%

+        \putratom{-38}{282}{\@@tmpb}%      % right type

+      \else\if\@@tmpa 6\relax%

+        \putlatom{-60}{120}{\@@tmpb}%      % left type

+      \else\if\@@tmpa 5\relax%

+        \putlatom{-60}{253}{\@@tmpb}%      % left type

+      \else\if\@@tmpa 4\relax%

+        \putratom{-38}{68}{\@@tmpb}%       % right type

+      \else\if\@@tmpa 9\relax%

+        \putratom{60}{253}{\@@tmpb}%       % right type

+      \else\ifx\@@tmpa\aax\relax%

+        \putratom{60}{253}{\@@tmpb}%       % right type

+      \else\ifx\@@tmpa\aay\relax%

+        \putratom{60}{120}{\@@tmpb}%       % right type

+      \else\if\@@tmpa 8\relax%

+        \putratom{60}{120}{\@@tmpb}%       % right type

+      \fi\fi\fi\fi\fi\fi\fi\fi\fi\fi\fi%

+% ***********************

+% * setting fused rings *

+% ***********************

+   \expandafter\twoCH@R\member//%

+   \set@fusion@nonavi

+\fi\fi\fi\fi\fi\fi\fi\fi\fi%

+\fi\fi\fi\fi\fi\fi%

+}%

+%    \end{macrocode}

+%

+%    \begin{macrocode}

+% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%

+% % setting hetero atoms and spiro rings %

+% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%

+\iniflag

+\put(342,0){\set@hetatom@sixv{#3}{0}{0}{4}{0}%

+   \if@aclip \global\@acliptrue\fi

+   \if@bclip \global\@bcliptrue\fi

+   \if@cclip \global\@ccliptrue\fi

+}% %substituents on 1 to 3

+\put(0,0){\set@hetatom@sixv{#3}{0}{3}{7}{0}%

+   \@gclipfalse \if@fclip \global\@gcliptrue \fi%

+   \@fclipfalse \if@eclip \global\@fcliptrue \fi%

+   \@eclipfalse \if@clip \global\@ecliptrue \fi}%substituents on 4 to 6

+\put(0,0){\set@hetatom@sixv{#3}{-6}{0}{2}{0}%

+  \@hclipfalse \if@aclip \global\@hcliptrue \fi}%%substituent on 7

+\put(0,0){\set@vrtx@nonafusevi{#3}%

+  \if@iclip \global\@icliptrue \fi

+  \if@jclip \global\@jcliptrue \fi}% fused positions

+%    \end{macrocode}

+%

+%    \begin{macrocode}

+% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%

+% % setting substituents and exocyclic bonds %

+% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%

+\put(342,0){\setsixringv{#4}{0}{0}{4}{0}}% %substituents on 1 to 3

+{\@clipfalse \if@eclip \@cliptrue \fi%     %substituents on 4 to 6

+ \@eclipfalse \if@fclip \@ecliptrue \fi%

+ \@fclipfalse \if@gclip \@fcliptrue \fi%

+\put(0,0){\setsixringv{#4}{0}{3}{7}{0}}%

+}%

+{\@aclipfalse \if@hclip \@acliptrue \fi%   %substituent on 7

+\put(0,0){\setsixringv{#4}{-6}{0}{2}{0}}%

+}%

+{\@clipfusefalse \if@iclip \@clipfusetrue \fi%

+ \put(171,103){\setatombond{#4}{-7}{7}}%   %8 for 3a position

+}%

+{\@clipfusefalse \if@jclip \@clipfusetrue \fi%

+  \put(171,303){\setatombond{#4}{-8}{1}}%  %9 for 7a position

+}%

+\end{picture}\iniatom\iniflag}%    %end of \nonaheterovi macro

+%    \end{macrocode}

+% \end{macro}

+% \end{macro}

+% \end{macro}

+% \end{macro}

+%

+% The macro |\test@vertix@nonavi| is used to test the presence of 

+% a hetero atom or a spiro substituent on a vertex of the 

+% nonaheterovi nucleus. 

+% \changes{v2.00}{1998/12/05}{New command: \cs{test@vertix@nonavi}}

+%

+% \begin{macro}{\test@vertix@nonavi}

+%    \begin{macrocode}

+\def\test@vertix@nonavi#1{%

+\@forsemicol\member:=#1\do{%

+\ifx\member\empty\else%

+\expandafter\@m@mb@r\member;\relax%

+\expandafter\twoch@r\@membera{}%

+\ifcase\@tmpa%

+ \or%

+   \if\@tmpb s\relax\def\aaa{}\else\def\aaa{@}\fi

+ \or%2

+   \if\@tmpb s\relax\def\bbb{}\else\def\bbb{@}\fi

+ \or%3%

+   \if\@tmpb a%

+     \def\iii{@}%3a

+   \else\if\@tmpb s%

+     \def\ccc{}%3

+   \else\if\@tmpb h%

+     \def\ccc{@}%3

+   \else\ifx\@tmpb\empty%

+     \def\ccc{@}%3

+   \fi\fi\fi\fi%

+ \or%4

+   \if\@tmpb s\relax\def\eee{}\else\def\eee{@}\fi

+ \or%5

+   \if\@tmpb s\relax\def\fff{}\else\def\fff{@}\fi

+ \or%6

+   \if\@tmpb s\relax\def\ggg{}\else\def\ggg{@}\fi

+ \or%7

+   \if\@tmpb a%

+     \xdef\jjj{@}%7a

+   \else\if\@tmpb s%

+     \xdef\hhh{}%7s

+   \else\if\@tmpb h%

+     \xdef\hhh{@}%7h

+   \else\ifx\@tmpb\empty%

+     \xdef\hhh{@}%7

+   \fi\fi\fi\fi%

+\or%8 (= 3a)

+   \if\@tmpb s\relax\def\iii{}\else\def\iii{@}\fi

+\or%9 (= 7a)

+   \if\@tmpb s\relax\def\jjj{}\else\def\jjj{@}\fi

+\fi\fi}}

+%    \end{macrocode}

+% \end{macro}

+%

+% The macro |\set@vrtx@nonafusevi| is used to set 

+% a hetero atom on a vertex of a bridgehead location.  

+% \changes{v2.00}{1998/12/05}{New command: \cs{set@vrtx@nonafusevi}}

+%

+% \begin{macro}{\set@vrtx@nonafusevi}

+%    \begin{macrocode}

+\def\set@vrtx@nonafusevi#1{%

+\@forsemicol\member:=#1\do{%

+\ifx\member\empty\else%

+\expandafter\@m@mb@r\member;\relax%

+\expandafter\twoch@r\@membera{}%

+\ifcase\@tmpa\or\or

+ \or%%%%3

+   \if\@tmpb a%

+     \global\@icliptrue%

+     \putlatom{207}{65}{\@memberb}%  % left type

+   \else\relax

+   \fi

+ \or\or\or

+ \or%7

+   \if\@tmpb a%

+     \global\@jcliptrue%

+     \putlatom{207}{280}{\@memberb}% % left type

+   \else\relax

+   \fi

+\or%8 (= 3a)

+     \global\@icliptrue%

+     \putlatom{207}{65}{\@memberb}%  % left type

+\or%9 (= 7a)

+     \global\@jcliptrue%

+     \putlatom{207}{280}{\@memberb}% % left type

+\fi\fi}%

+}% end of the macro \set@vrtx@nonafusevi

+%    \end{macrocode}

+% \end{macro}

+%

+% \subsection{Short-cut commands for fused heterocycles}

+%

+% The macros |\nonaheterov| and |\nonaheterovi| can be used in the 

+% form of a fixed |ATOMLIST|.  Hence, the resulting commands for 

+% drawing a fused heterocyle with one or more nitrogen atoms 

+% have an argument |SUBSLIST| as well as an optional argument |BONDLIST|. 

+%

+% \begin{verbatim}

+% **********************************************************

+% * heterocycles having fused six- and five-membered rings *

+% *  (vertical type)                                       *

+% **********************************************************

+%

+%   N-heterocycles:

+%

+%   \indolev[BONDLIST]{SUBSLIST}

+%   \indolevi[BONDLIST]{SUBSLIST}

+%

+%   \isoindolev[BONDLIST]{SUBSLIST}

+%   \isoindolevi[BONDLIST]{SUBSLIST}

+%

+%   \indolizinev[BONDLIST]{SUBSLIST}

+%   \indolizinevi[BONDLIST]{SUBSLIST}

+%          (different from the IUPAC numbering)

+%

+%   \purinev[BONDLIST]{SUBSLIST}

+%   \purinevi[BONDLIST]{SUBSLIST}

+%          (different from the IUPAC numbering)

+%

+%   O-heterocycles:

+%

+%   \benzofuranev[BONDLIST]{SUBSLIST}

+%   \benzofuranevi[BONDLIST]{SUBSLIST}

+%

+%   \isobenzofuranevi[BONDLIST]{SUBSLIST}

+%

+%   \benzoxazolev[BONDLIST]{SUBSLIST}

+%   \benzoxazolevi[BONDLIST]{SUBSLIST}

+% \end{verbatim}

+%

+% The |BONDLIST| argument contains one 

+% character selected from a to j, each of which indicates the presence of 

+% an inner (endcyclic) double bond on the corresponding position. 

+% The optiona `A' and `B' typeset aromatic circles. 

+% The option 

+% `$n+$' ($n=1$ to $9$) represents a plus charge on a hetero atom 

+% at the $n$-position. 

+%

+% \begin{verbatim}  

+%     BONDLIST:  list of bonds 

+%

+%           none or r  :  aromatic six-membered ring

+%           []         :  fully saturated form

+%           a    :  1,2-double bond      b    :  2,3-double bond

+%           c    :  3,3a-double bond     d    :  4,3a-double bond

+%           e    :  4,5-double bond      f    :  5,6-double bond

+%           g    :  6,7-double bond      h    :  7,7a-double bond

+%           i    :  1,7a-double bond     

+%           J    :  3a,4a-double bond in the other ring

+%           A    :  aromatic circle

+%           {n+}       :  plus at the n-nitrogen atom (n = 1 to 9)

+% \end{verbatim}

+%

+% The |SUBSLIST| argument contains one or more substitution descriptors 

+% which are separated from each other by a semicolon.  Each substitution 

+% descriptor has a locant number with a bond modifier and a substituent, 

+% where these are separated with a double equality symbol. 

+%

+% \begin{verbatim}

+%     SUBSLIST: list of substituents

+%

+%       for n = 1 to 8

+%

+%           nD         :  exocyclic double bond at n-atom

+%           n or nS    :  exocyclic single bond at n-atom

+%           nA         :  alpha single bond at n-atom

+%           nB         :  beta single bond at n-atom

+%           nSA        :  alpha single bond at n-atom (boldface)

+%           nSB        :  beta single bond at n-atom (dotted line)

+%           nSa        :  alpha (not specified) single bond at n-atom

+%           nSb        :  beta (not specified) single bond at n-atom

+%

+%           nSd        :  alpha single bond at n-atom (dotted line) 

+%                           with an alternative direction to nSA 

+%           nSu        :  beta single bond at n-atom (boldface) 

+%                           with an alternative direction to nSB 

+%           nFA        :  alpha single bond at n-atom (dotted line) 

+%                           for ring fusion 

+%           nFB        :  beta single bond at n-atom (boldface) 

+%                           for ring fusion 

+%           nGA        :  alpha single bond at n-atom (dotted line) 

+%                           for the other ring fusion 

+%           nGB        :  beta single bond at n-atom (boldface) 

+%                           for the other ring fusion 

+%

+%       for 8 (3a position) and 9 (7a position)

+%

+%           nD         :  exocyclic double bond at n-atom

+%           n or nS    :  exocyclic single bond at n-atom

+%           nA         :  alpha single bond at n-atom

+%           nB         :  beta single bond at n-atom

+% \end{verbatim}

+%

+% Several examples are shown as follows.

+% \begin{verbatim}

+%

+%       e.g. 

+%        

+%        \indolev{1==N}{1==Cl;2==F}

+%        \indolev[c]{1==N}{1==Cl;4==F;2==CH$_{3}$}

+% \end{verbatim}

+%

+% \begin{macro}{\purinev}

+% \begin{macro}{\purinevi}

+%    \begin{macrocode}

+\def\purinev{\@ifnextchar[{\@purinev[@}{\@purinev[ra]}}

+\def\@purinev[#1]#2{%

+\iforigpt \typeout{command `purinev' %

+  is based on `nonaheterov'.}\fi%

+\nonaheterov[#1]{1==N;3==N;5==N;7==N}{#2}}

+\def\purinevi{\@ifnextchar[{\@purinevi[@}{\@purinevi[ra]}}

+\def\@purinevi[#1]#2{%

+\iforigpt \typeout{command `purinevi' %

+  is based on `nonaheterovi'.}\fi%

+\nonaheterovi[#1]{1==N;3==N;5==N;7==N}{#2}}

+%    \end{macrocode}

+% \end{macro}

+% \end{macro}

+%

+% \begin{macro}{\indolev}

+% \begin{macro}{\indolevi}

+%    \begin{macrocode}

+\def\indolev{\@ifnextchar[{\@indolev[@}{\@indolev[rb]}}

+\def\@indolev[#1]#2{%

+\iforigpt \typeout{command `indolev' %

+ is based on `nonaheterov'.}\fi%

+\nonaheterov[#1]{1==N}{#2}}

+\def\indolevi{\@ifnextchar[{\@indolevi[@}{\@indolevi[rb]}}

+\def\@indolevi[#1]#2{%

+\iforigpt \typeout{command `indolevi' %

+ is based on `nonaheterovi'.}\fi%

+\nonaheterovi[#1]{1==N}{#2}}

+%    \end{macrocode}

+% \end{macro}

+% \end{macro}

+%

+% \begin{macro}{\indolizinev}

+% \begin{macro}{\indolizinevi}

+%    \begin{macrocode}

+\def\indolizinev{%

+  \@ifnextchar[{\@indolizinev[@}{\@indolizinev[aceg]}}

+\def\@indolizinev[#1]#2{%

+\iforigpt \typeout{command `indolizinev' %

+  is based on `nonaheterov'.}\fi%

+\nonaheterov[#1]{7a==N}{#2}}

+\def\indolizinevi{%

+  \@ifnextchar[{\@indolizinevi[@}{\@indolizinevi[aceg]}}

+\def\@indolizinevi[#1]#2{%

+\iforigpt \typeout{command `indolizinevi' %

+  is based on `nonaheterovi'.}\fi%

+\nonaheterovi[#1]{7a==N}{#2}}

+%    \end{macrocode}

+% \end{macro}

+% \end{macro}

+%

+% \begin{macro}{\isoindolev}

+% \begin{macro}{\isoindolevi}

+%    \begin{macrocode}

+\def\isoindolev{\@ifnextchar[{\@isoindolev[@}{\@isoindolev[cegi]}}

+\def\@isoindolev[#1]#2{%

+\iforigpt \typeout{command `isoindolev' %

+  is based on `nonaheterov'.}\fi%

+\nonaheterov[#1]{2==N}{#2}}

+\def\isoindolevi{\@ifnextchar[{\@isoindolevi[@}{\@isoindolevi[cegi]}}

+\def\@isoindolevi[#1]#2{%

+\iforigpt \typeout{command `isoindolevi' %

+  is based on `nonaheterovi'.}\fi%

+\nonaheterovi[#1]{2==N}{#2}}

+%    \end{macrocode}

+% \end{macro}

+% \end{macro}

+%

+% \begin{macro}{\benzofuranev}

+% \begin{macro}{\benzofuranevi}

+%    \begin{macrocode}

+\def\benzofuranev{%

+ \@ifnextchar[{\@benzofuranev[@}{\@benzofuranev[rb]}}

+\def\@benzofuranev[#1]#2{%

+\iforigpt \typeout{command `benzofuranev' %

+  is based on `nonaheterov'.}\fi%

+\nonaheterov[#1]{1==O}{#2}}

+\def\benzofuranevi{%

+ \@ifnextchar[{\@benzofuranevi[@}{\@benzofuranevi[rb]}}

+\def\@benzofuranevi[#1]#2{%

+\iforigpt \typeout{command `benzofuranevi' %

+  is based on `nonaheterovi'.}\fi%

+\nonaheterovi[#1]{1==O}{#2}}

+%    \end{macrocode}

+% \end{macro}

+% \end{macro}

+%

+% \begin{macro}{\isobenzofuranev}

+% \begin{macro}{\isobenzofuranevi}

+%    \begin{macrocode}

+\def\isobenzofuranev{\@ifnextchar[{\@isobenzofuranev[@}%

+ {\@isobenzofuranev[cegi]}}

+\def\@isobenzofuranev[#1]#2{%

+\iforigpt \typeout{command `isobenzofuranev' %

+  is based on `nonaheterov'.}\fi%

+\nonaheterov[#1]{2==O}{#2}}

+\def\isobenzofuranevi{\@ifnextchar[{\@isobenzofuranevi[@}%

+ {\@isobenzofuranevi[cegi]}}

+\def\@isobenzofuranevi[#1]#2{%

+\iforigpt \typeout{command `isobenzofuranevi' %

+  is based on `nonaheterovi'.}\fi%

+\nonaheterovi[#1]{2==O}{#2}}

+%    \end{macrocode}

+% \end{macro}

+% \end{macro}

+%

+% \begin{macro}{\benzoxazolev}

+% \begin{macro}{\benzoxazolevi}

+%    \begin{macrocode}

+\def\benzoxazolev{%

+ \@ifnextchar[{\@benzoxazolev[@}{\@benzoxazolev[rb]}}

+\def\@benzoxazolev[#1]#2{%

+\iforigpt \typeout{command `benzoxazolev' %

+  is based on `nonaheterov'.}\fi%

+\nonaheterov[#1]{1==O;3==N}{#2}}

+\def\benzoxazolevi{%

+ \@ifnextchar[{\@benzoxazolevi[@}{\@benzoxazolevi[rb]}}

+\def\@benzoxazolevi[#1]#2{%

+\iforigpt \typeout{command `benzoxazolevi' %

+ is based on `nonaheterovi'.}\fi%

+\nonaheterovi[#1]{1==O;3==N}{#2}}

+%    \end{macrocode}

+% \end{macro}

+% \end{macro}

+%

+% \section{Building blocks}

+% \subsection{Six-membered ring unit}

+%

+% The old function (v1.01) of |\sixunitv| as a fusing ring unit 

+% is succeeded by |\sixfusev| and |\sixfusevi|. 

+% The command |\sixunitv| has been changed into a subsidiary 

+% command of |\sixheterov| (v2.00). 

+%

+% The macro |\sixunitv| is a six-membered fragment that can be 

+% fused to another ring structure to produce a new ring system. 

+% The following 

+% numbering is adopted in this macro. 

+%

+% \begin{verbatim}

+% **********************

+% * six-membered unit  *

+% *  (vertical type)   *

+% **********************

+%

+%          1

+%          *  

+%     6  *   *  2

+%       |     |

+%       |     |

+%     5  *   *  3

+%          *

+%          4 <===== the original point

+% \end{verbatim}

+%

+% The macro |\sixunitv| has three arguments |ATOMLIST|, |SUBSLIST| 

+% and |OMIT| 

+% as well as an optional argument |BONDLIST|.  

+%

+% \begin{verbatim}

+%   \sixunitv[BONDLIST]{ATOMLIST}{SUBSLIST}{OMIT}

+% \end{verbatim}

+%

+% The |BONDLIST| argument contains one 

+% character selected from a to f, each of which indicates the presence of 

+% an inner (endcyclic) double bond on the corresponding position. 

+% The option `$n+$' ($n=1$ to $6$) represents a plus charge on a hetero atom 

+% at the $n$-position. 

+%

+% \begin{verbatim}

+%     BONDLIST =

+%

+%           none       :  fully saturated

+%           a          :  1,2-double bond

+%           b          :  2,3-double bond

+%           c          :  4,3-double bond

+%           d          :  4,5-double bond

+%           e          :  5,6-double bond

+%           f          :  6,1-double bond

+%           {n+}       :  plus at the n-nitrogen atom (n = 1 to 6)

+% \end{verbatim}

+%

+% The |ATOMLIST| argument contains one or more heteroatom descriptors 

+% which are separated from each other by a semicolon.  Each heteroatom 

+% descriptor consists of a locant number and a heteroatom, 

+% where these are separated with a double equality symbol. 

+%

+% \begin{verbatim}

+%     ATOMLIST: list of heteroatoms (max 6 atoms)

+%

+%       for n = 1 to 6

+%

+%           n          : Hetero atom, e.g. N, O, etc. at n-position, 

+%                        e.g. 1==N for N at 1-position

+% \end{verbatim}

+%

+% The |SUBSLIST| argument contains one or more substitution descriptors 

+% which are separated from each other by a semicolon.  Each substitution 

+% descriptor has a locant number with a bond modifier and a substituent, 

+% where these are separated with a double equality symbol. 

+%

+% \begin{verbatim}

+%     SUBSLIST: list of substituents

+%

+%       for n = 1 to 6 

+%

+%           nD         :  exocyclic double bond at n-atom

+%           n or nS    :  exocyclic single bond at n-atom

+%           nA         :  alpha single bond at n-atom

+%           nB         :  beta single bond at n-atom

+%           nSA        :  alpha single bond at n-atom (boldface)

+%           nSB        :  beta single bond at n-atom (dotted line)

+%           nSa        :  alpha (not specified) single bond at n-atom

+%           nSb        :  beta (not specified) single bond at n-atom

+%

+%           nSd        :  alpha single bond at n-atom (dotted line) 

+%                           with an alternative direction to nSA 

+%           nSu        :  beta single bond at n-atom (boldface) 

+%                           with an alternative direction to nSB 

+%           nFA        :  alpha single bond at n-atom (dotted line) 

+%                           for ring fusion 

+%           nFB        :  beta single bond at n-atom (boldface) 

+%                           for ring fusion 

+%           nGA        :  alpha single bond at n-atom (dotted line) 

+%                           for the other ring fusion 

+%           nGB        :  beta single bond at n-atom (boldface) 

+%                           for the other ring fusion 

+% \end{verbatim}

+%

+% The argument |OMIT| represents one bond to be omitted. 

+% The omitted edge is regarded as a fused position. 

+%

+% \begin{verbatim}

+%     OMIT:  one bond omitted (a, b, c, d, e, or f)

+% \end{verbatim}

+%

+% Several examples are shown as follows.

+% \begin{verbatim}

+%       e.g. 

+%        

+%        \sixhunitv{1==N}{1==Cl;2==F}{e}

+% \end{verbatim}

+%

+% The definition of |\sixunitv| uses a picture environment and 

+% consists of the same unit processes as shown in |\sixheterov|: 

+% \begin{enumerate}

+% \item treatment of atom list, 

+% \item placing outer skeletons, 

+% \item placing inner double bonds, 

+% \item setting hetero atoms, and 

+% \item placing substituents by using |\setsixringv|. 

+% \end{enumerate}

+%

+% \changes{v1.01a}{1998/06/08}{\cs{sixunitv} bug fix: 

+%  \cs{bbb} to \cs{fff} and \cs{ccc} to \cs{eee}}

+%

+% \begin{macro}{\sixunitv}

+% \begin{macro}{\@sixunitv}

+%    \begin{macrocode}

+\def\sixunitv{\@ifnextchar[{\@sixunitv[@}{\@sixunitv[@]}}

+\def\@sixunitv[#1]#2#3#4{\sixheterov[#1]{#2}{#3}[#4]}

+%    \end{macrocode}

+% \end{macro}

+% \end{macro}

+%

+% \begin{verbatim}

+% (Old difinition)

+% % \begin{macro}{\sixunitv}

+% % \begin{macro}{\@sixunitv}

+% %    \begin{macrocode}

+% \def\sixunitv{\@ifnextchar[{\@sixunitv}{\@sixunitv[r]}}

+% \def\@sixunitv[#1]#2#3#4{%

+% %    \end{macrocode}

+% %

+% %    \begin{macrocode}

+% % %%%%%%%%%%%%%%%%%%%%%%%%%%

+% % % treatment of atom list %

+% % %%%%%%%%%%%%%%%%%%%%%%%%%%

+% \iniatom\iniflag%initialize%

+% \@forsemicol\member:=#2\do{%

+% \expandafter\@m@mb@r\member;\relax%

+% \expandafter\twoch@r\@membera{}%

+% \ifcase\@tmpa%

+%  \or \xdef\aaa{\@memberb}%

+%  \or \xdef\bbb{\@memberb}%

+%  \or \xdef\ccc{\@memberb}%

+%  \or \xdef\ddd{\@memberb}%

+%  \or \xdef\eee{\@memberb}%

+%  \or \xdef\fff{\@memberb}%

+% \fi}%

+%  \begin{picture}(800,880)(-\shiftii,-\shifti)%

+%   \iforigpt \put(-\shiftii,-\shifti){\circle*{50}}%

+%            \put(-\noshift,-\noshift){\circle{50}}% 

+%    \typeout{command `sixunitv' origin: %

+%     (\the\noshift,\the\noshift) ---> (\the\shiftii,\the\shifti)}\fi%

+% %    \end{macrocode}

+% %

+% %    \begin{macrocode}

+% % %%%%%%%%%%%%%%%%%%

+% % % outer skeleton %

+% % %%%%%%%%%%%%%%%%%%

+% % changed OMIT into a list 1993/11/21 by Shinsaku Fujita

+% {\resetbdsw%

+% \@tfor\memBer:=#4\do{%

+% \if\memBer a\relax\gdef\@aaa{}\fi%

+% \if\memBer b\relax\gdef\@bbb{}\fi%

+% \if\memBer c\relax\gdef\@ccc{}\fi%

+% \if\memBer d\relax\gdef\@ddd{}\fi%

+% \if\memBer e\relax\gdef\@eee{}\fi%

+% \if\memBer f\relax\gdef\@fff{}\fi%

+% }%

+% \if\@aaa a\relax\skbonda\fi% bond between 1 and 2

+% \if\@bbb b\relax\skbondb\fi% bond between 2 and 3

+% \if\@ccc c\relax\skbondc\fi% bond between 3 and 4

+% \if\@ddd d\relax\skbondd\fi% bond between 4 and 5

+% \if\@eee e\relax\skbonde\fi% bond between 5 and 6

+% \if\@fff f\relax\skbondf\fi% bond between 6 and 1

+% }%

+% %    \end{macrocode}

+% %

+% %    \begin{macrocode}

+% % %%%%%%%%%%%%%%%%%%%%%

+% % % inner double bond %

+% % %%%%%%%%%%%%%%%%%%%%%

+% \@tfor\member:=#1\do{%

+% \if\member r\relax%

+% \else\if\member l\relax%

+% \else\if\member a\relax% 

+%  \ifx#4a\relax\else%

+%   \bonda%

+%  \fi%

+% \else\if\member b\relax% 

+%  \ifx#4b\relax\else%

+%    \bondb%

+%  \fi%

+% \else\if\member c\relax%

+%  \ifx#4c\relax\else%

+%    \bondc%

+%  \fi%

+% \else\if\member d\relax%

+%  \ifx#4d\relax\else%

+%    \bondd%

+%  \fi%

+% \else\if\member e\relax%

+%  \ifx#4e\relax\else%

+%    \bonde%

+%  \fi%

+% \else\if\member f\relax%

+%  \ifx#4f\relax\else%

+%    \bondf%

+%  \fi%

+% \else\if\member A%left aromatic circle 

+%   \put(0,203){\circle{240}}%               %circle

+% \else \expandafter\twoch@@r\member{}{}%

+%       \if\@@tmpa 1\relax%

+%         \putratom{-38}{282}{\@@tmpb}%      % right type

+%       \else\if\@@tmpa 2\relax%

+%         \putratom{60}{253}{\@@tmpb}%       % right type

+%       \else\if\@@tmpa 3\relax%

+%         \putratom{60}{120}{\@@tmpb}%       % right type

+%       \else\if\@@tmpa 4\relax%

+%         \putratom{-38}{68}{\@@tmpb}%       % right type

+%       \fi\fi\fi\fi%

+% \fi\fi\fi\fi\fi\fi\fi\fi\fi%

+% }%

+% %    \end{macrocode}

+% %

+% %    \begin{macrocode}

+% % %%%%%%%%%%%%%%%%%%%%%%%%

+% % % setting hetero atoms %

+% % %%%%%%%%%%%%%%%%%%%%%%%%

+% \ifx\ddd\empty\else%

+%    \@cliptrue% 

+%    \putratom{-31}{-10}{\ddd}%  % right type

+% \fi%

+% \ifx\aaa\empty\else%

+%      \@acliptrue%

+%      \putratom{-31}{356}{\aaa}%  % right type

+% \fi%

+% \ifx\bbb\empty\else%

+%      \@bcliptrue%

+%      \putratom{135}{280}{\bbb}%  % right type

+% \fi%

+% \ifx\ccc\empty\else%

+%      \@ccliptrue%

+%      \putratom{135}{65}{\ccc}%   % right type

+% \fi%

+% \ifx\fff\empty\else%

+%      \@fcliptrue%

+% %     \putlatom{-135}{280}{\bbb}% % left type

+%      \putlatom{-135}{280}{\fff}% % left type

+% \fi%

+% \ifx\eee\empty\else%

+%      \@ecliptrue%

+% %     \putlatom{-135}{65}{\ccc}%  % left type

+%      \putlatom{-135}{65}{\eee}%  % left type

+% \fi%

+% % %%%%%%%%%%%%%%%%%%%%%%%%

+% % % setting substituents %

+% % %%%%%%%%%%%%%%%%%%%%%%%%

+% \setsixringv{#3}{0}{0}{7}{0}%

+% \end{picture}\iniatom\iniflag}%     %end of \sixunitv macro

+% %    \end{macrocode}

+% % \end{macro}

+% % \end{macro}

+% % \end{verbatim}

+% 

+% \subsection{Five-membered ring unit}

+% \subsubsection{Vertical type}

+%

+% The old function (v1.01) of |\fiveunitv| as a fusing ring unit 

+% is succeeded by |\fivefusev|. 

+% The command |\fiveunitv| has been changed into a subsidiary 

+% command of |\fiveheterov| (v2.00). 

+%

+% The macro |\fiveunitv| is a five-membered fragment that can be 

+% fused to another 

+% ring structure to produce a new ring system. The following 

+% numbering is adopted in this macro. 

+%

+% \begin{verbatim}

+% **********************

+% * five-membered unit *

+% *  (vertical type)   *

+% **********************

+%

+%     4 _______ 3

+%       |     |

+%       |     |

+%     5  *   *  2

+%          *

+%          1 <===== the original point

+% \end{verbatim}

+%

+% The macro |\fiveunitv| has three arguments |ATOMLIST|, |SUBSLIST| 

+% and |OMIT| 

+% as well as an optional argument |BONDLIST|.  

+%

+% \begin{verbatim}

+%   \fiveunitv[BONDLIST]{ATOMLIST}{SUBSLIST}{OMIT}

+% \end{verbatim}

+%

+% The |BONDLIST| argument contains one 

+% character selected from a to e, each of which indicates the presence of 

+% an inner (endcyclic) double bond on the corresponding position. 

+% The option `$n+$' ($n=1$ to $5$) represents a plus charge on a hetero atom 

+% at the $n$-position. 

+%

+% \begin{verbatim}

+%     BONDLIST: list of inner double bonds 

+%

+%           a          :  1,2-double bond

+%           b          :  2,3-double bond

+%           c          :  4,3-double bond

+%           d          :  4,5-double bond

+%           e          :  5,1-double bond

+%           {n+}       :  plus at the n-nitrogen atom (n = 1 to 5)

+% \end{verbatim}

+%

+% The |ATOMLIST| argument contains one or more heteroatom descriptors 

+% which are separated from each other by a semicolon.  Each heteroatom 

+% descriptor consists of a locant number and a heteroatom, 

+% where these are separated with a double equality symbol. 

+%

+% \begin{verbatim}

+%     ATOMLIST: list of heteroatoms (max 5 atoms)

+%

+%       for n = 1 to 5

+%

+%           n          : Hetero atom, e.g. N, O, etc. at n-position

+%                        e.g. 1==N for N at 1-position

+% \end{verbatim}

+%

+% The |SUBSLIST| argument contains one or more substitution descriptors 

+% which are separated from each other by a semicolon.  Each substitution 

+% descriptor has a locant number with a bond modifier and a substituent, 

+% where these are separated with a double equality symbol. 

+%

+% \begin{verbatim}

+%     SUBSLIST: list of substituents

+%

+%       for n = 1 to 5 

+%

+%           nD         :  exocyclic double bond at n-atom

+%           n or nS    :  exocyclic single bond at n-atom

+%           nA         :  alpha single bond at n-atom

+%           nB         :  beta single bond at n-atom

+%           nSA        :  alpha single bond at n-atom (boldface)

+%           nSB        :  beta single bond at n-atom (dotted line)

+%           nSa        :  alpha (not specified) single bond at n-atom

+%           nSb        :  beta (not specified) single bond at n-atom

+%

+%           nSd        :  alpha single bond at n-atom (dotted line) 

+%                           with an alternative direction to nSA 

+%           nSu        :  beta single bond at n-atom (boldface) 

+%                           with an alternative direction to nSB 

+%           nFA        :  alpha single bond at n-atom (dotted line) 

+%                           for ring fusion 

+%           nFB        :  beta single bond at n-atom (boldface) 

+%                           for ring fusion 

+%           nGA        :  alpha single bond at n-atom (dotted line) 

+%                           for the other ring fusion 

+%           nGB        :  beta single bond at n-atom (boldface) 

+%                           for the other ring fusion 

+% \end{verbatim}

+%

+% The argument |OMIT| represents one bond to be omitted. 

+% The omitted edge is regarded as a fused position. 

+%

+% \begin{verbatim}

+%     OMIT:  one bond omitted (a, b, c, d, e, or f)

+% \end{verbatim}

+%

+% Several examples are shown as follows.

+% \begin{verbatim}

+%       e.g. 

+%        

+%        \fiveunitv{1==N}{1==H;2==F}{a}

+% \end{verbatim}

+%

+% The definition of |\fiveunitv| uses a picture environment and 

+% consists of the same unit processes as shown in |\sixheterov|: 

+% \begin{enumerate}

+% \item treatment of atom list, 

+% \item placing outer skeletons, 

+% \item placing inner double bonds, 

+% \item setting hetero atoms, and 

+% \item placing substituents by using |\setsixringv| partially. 

+% \end{enumerate}

+%

+% \begin{macro}{\fiveunitv}

+% \begin{macro}{\@fiveunitv}

+%    \begin{macrocode}

+\def\fiveunitv{\@ifnextchar[{\@fiveunitv[@}{\@fiveunitv[r]}}

+\def\@fiveunitv[#1]#2#3#4{\fiveheterov[#1]{#2}{#3}[#4]}

+%    \end{macrocode}

+% \end{macro}

+% \end{macro}

+%

+% \begin{verbatim}

+% (Old definition)

+% % \begin{macro}{\fiveunitv}

+% % \begin{macro}{\@fiveunitv}

+% %    \begin{macrocode}

+% \def\fiveunitv{\@ifnextchar[{\@fiveunitv}{\@fiveunitv[r]}}

+% \def\@fiveunitv[#1]#2#3#4{%

+% \iniatom\iniflag%initialize

+% %\def\aaa{}\def\bbb{}\def\ccc{}\def\ddd{}\def\eee{}\def\fff{}%

+% %    \end{macrocode}

+% %

+% %    \begin{macrocode}

+% % %%%%%%%%%%%%%%%%%%%%%%%%%%

+% % % treatment of atom list %

+% % %%%%%%%%%%%%%%%%%%%%%%%%%%

+% \@forsemicol\member:=#2\do{%

+% \expandafter\@m@mb@r\member;\relax%

+% \expandafter\twoch@r\@membera{}%

+% \ifcase\@tmpa%

+%  \or \xdef\ddd{\@memberb}%

+%  \or \xdef\ccc{\@memberb}%

+%  \or \xdef\bbb{\@memberb}%

+%  \or \xdef\fff{\@memberb}%

+%  \or \xdef\eee{\@memberb}%

+% \fi}%

+%  \begin{picture}(800,880)(-\shiftii,-\shifti)%

+%   \iforigpt \put(-\shiftii,-\shifti){\circle*{50}}%

+%            \put(-\noshift,-\noshift){\circle{50}}% 

+%    \typeout{command `fiveunitv' origin: %

+%     (\the\noshift,\the\noshift) ---> (\the\shiftii,\the\shifti)}\fi%

+% %    \end{macrocode}

+% %

+% %    \begin{macrocode}

+% % %%%%%%%%%%%%%%%%%%%

+% % %% outer skeleton %

+% % %%%%%%%%%%%%%%%%%%%

+% % changed OMIT to a list 1993/11/21 by Shinsaku Fujita

+% {\resetbdsw%

+% \@tfor\memBer:=#4\do{%

+% \if\memBer a\relax\gdef\@aaa{}\fi%

+% \if\memBer b\relax\gdef\@bbb{}\fi%

+% \if\memBer c\relax\gdef\@ccc{}\fi%

+% \if\memBer d\relax\gdef\@ddd{}\fi%

+% \if\memBer e\relax\gdef\@eee{}\fi%

+% %\if\memBer f\relax\gdef\@fff{}\fi%

+% }%

+% \if\@aaa a\relax\skbondc\fi% bond between 1 and 2

+% \if\@bbb b\relax\skbondb\fi% bond between 2 and 3

+% \if\@ccc c\relax\skbondhoriz\fi% bond between 3 and 4

+% \if\@ddd d\relax\skbonde\fi% bond between 4 and 5

+% \if\@eee e\relax\skbondd\fi% bond between 5 and 6

+% %\if\@fff f\relax\skbondf\fi% bond between 6 and 1

+% }%

+% % old

+% %\ifx#4a\relax\else%

+% % \skbondc%bond between 1 and 2

+% %\fi%

+% %\ifx#4e\relax\else%

+% % \skbondd%bond between 1 and 5

+% %\fi%

+% %\ifx#4b\relax\else%

+% %  \skbondb%bond between 2 to 3

+% %\fi%

+% %\ifx#4d\relax\else%

+% % \skbonde%bond between 5 and 4

+% %\fi%

+% %\ifx#4c\relax\else%

+% % \skbondhoriz%bond between 4 and 3

+% %\fi%

+% %    \end{macrocode}

+% %

+% %    \begin{macrocode}

+% % %%%%%%%%%%%%%%%%%%%%%%

+% % %% inner double bond %

+% % %%%%%%%%%%%%%%%%%%%%%%

+% \@tfor\member:=#1\do{%

+% \if\member r%

+% \else\if\member a\relax%

+%  \ifx#4a\relax\else%

+%    \bondc%

+%  \fi%

+% \else\if\member b\relax%

+%  \ifx#4b\relax\else%

+%   \bondb%

+%  \fi%

+% \else\if\member c\relax%

+%  \ifx#4c\relax\else%

+%    \bondhoriz%

+%  \fi%

+% \else\if\member d\relax%

+%  \ifx#4d\relax\else%

+%   \bonde%

+%  \fi%

+% \else\if\member e\relax%

+%  \ifx#4e\relax\else%

+%   \bondd%

+%  \fi%

+% \else \expandafter\twoch@@r\member{}{}%     %plus or minus charges

+%       \if\@@tmpa 1\relax%

+%         \putratom{-38}{68}{\@@tmpb}%        % right type

+%       \else\if\@@tmpa 2\relax%

+%         \putratom{60}{120}{\@@tmpb}%        % right type

+%       \else\if\@@tmpa 3\relax%

+%         \putratom{60}{233}{\@@tmpb}%        % right type

+%       \else\if\@@tmpa 4\relax%

+%         \putratom{-60}{233}{\@@tmpb}%       % right type

+%       \else\if\@@tmpa 5\relax%

+%         \putratom{-60}{120}{\@@tmpb}%       % right type

+%       \fi\fi\fi\fi\fi%

+% \fi\fi\fi\fi\fi\fi}%

+% %    \end{macrocode}

+% %

+% %    \begin{macrocode}

+% % %%%%%%%%%%%%%%%%%%%%%%%

+% % % setting heteroatoms %

+% % %%%%%%%%%%%%%%%%%%%%%%%

+% \ifx\ddd\empty\else%

+%    \@cliptrue% 

+%    \putratom{-31}{-10}{\ddd}%    % right type at 1

+% \fi%

+% \ifx\bbb\empty\else%

+%      \@bcliptrue%

+%      \putratom{135}{280}{\bbb}%  % right type at 3

+% \fi%

+% \ifx\fff\empty\else%

+%      \@fcliptrue%

+%      \putlatom{-135}{280}{\fff}% % left type at 4

+% \fi%

+% \ifx\ccc\empty\else%

+%      \@ccliptrue%

+%      \putratom{135}{65}{\ccc}%   % right type at 2

+% \fi%

+% \ifx\eee\empty\else%

+%      \@ecliptrue%

+%      \putlatom{-135}{65}{\eee}%  % left type at 5 

+% \fi%

+% %    \end{macrocode}

+% %

+% %    \begin{macrocode}

+% % %%%%%%%%%%%%%%%%%%%%%%%%

+% % % setting substituents %

+% % %%%%%%%%%%%%%%%%%%%%%%%%

+% \setsixringv{#3}{5}{1}{5}{-1}%   % for 1 to 3

+% \setsixringv{#3}{10}{4}{7}{-1}%  % for 4 to 5

+% \end{picture}\iniatom\iniflag}%end of \fiveunitv macro

+% %    \end{macrocode}

+% % \end{macro}

+% % \end{macro}

+% \end{verbatim}

+% 

+% \subsubsection{Inverse vertical type}

+%

+% The old function (v1.01) of |\fiveunitvi| as a fusing ring unit 

+% is succeeded by |\fivefusevi|. 

+% The command |\fiveunitvi| has been changed into a subsidiary 

+% command of |\fiveheterovi| (v2.00). 

+%

+% The macro |\fiveunitvi| typesets a five-membered fragment that can be 

+% fused to another 

+% ring structure to produce a new ring system. The following 

+% numbering is adopted in this macro. 

+%

+% \begin{verbatim}

+% ************************************

+% * five-membered unit               *

+% *  (vertical type, inverse type)   *

+% ************************************

+%

+%          1

+%          * 

+%     6  *   *  2

+%       |     |

+%       |_____|

+%     4         3

+%          *

+%        (0,0) <===== the original point

+% \end{verbatim}

+%

+% The macro |\fiveunitvi| has three arguments |ATOMLIST|, |SUBSLIST| 

+% and |OMIT| 

+% as well as an optional argument |BONDLIST|.  

+%

+% \begin{verbatim}

+%   \fiveunitvi[BONDLIST]{ATOMLIST}{SUBSLIST}{OMIT}

+% \end{verbatim}

+%

+% The |BONDLIST| argument contains one 

+% character selected from a to e, each of which indicates the presence of 

+% an inner (endcyclic) double bond on the corresponding position. 

+% The option `$n+$' ($n=1$ to $5$) represents a plus charge on a hetero atom 

+% at the $n$-position. 

+%

+% \begin{verbatim}

+%     BONDLIST: list of inner double bonds 

+%

+%           a          :  1,2-double bond

+%           b          :  2,3-double bond

+%           c          :  4,3-double bond

+%           d          :  4,5-double bond

+%           e          :  5,1-double bond

+%           {n+}       :  plus at the n-nitrogen atom (n = 1 to 5)

+% \end{verbatim}

+%

+% The |ATOMLIST| argument contains one or more heteroatom descriptors 

+% which are separated from each other by a semicolon.  Each heteroatom 

+% descriptor consists of a locant number and a heteroatom, 

+% where these are separated with a double equality symbol. 

+%

+% \begin{verbatim}

+%     ATOMLIST: list of heteroatoms (max 5 atoms)

+%

+%       for n = 1 to 5

+%

+%           n          : Hetero atom, e.g. N, O, etc. at n-position

+%                        e.g. 1==N for N at 1-position

+% \end{verbatim}

+%

+% The |SUBSLIST| argument contains one or more substitution descriptors 

+% which are separated from each other by a semicolon.  Each substitution 

+% descriptor has a locant number with a bond modifier and a substituent, 

+% where these are separated with a double equality symbol. 

+%

+% \begin{verbatim}

+%     SUBSLIST: list of substituents

+%

+%       for n = 1 to 5 

+%

+%           nD         :  exocyclic double bond at n-atom

+%           n or nS    :  exocyclic single bond at n-atom

+%           nA         :  alpha single bond at n-atom

+%           nB         :  beta single bond at n-atom

+%           nSA        :  alpha single bond at n-atom (boldface)

+%           nSB        :  beta single bond at n-atom (dotted line)

+%           nSa        :  alpha (not specified) single bond at n-atom

+%           nSb        :  beta (not specified) single bond at n-atom

+%

+%           nSd        :  alpha single bond at n-atom (dotted line) 

+%                           with an alternative direction to nSA 

+%           nSu        :  beta single bond at n-atom (boldface) 

+%                           with an alternative direction to nSB 

+%           nFA        :  alpha single bond at n-atom (dotted line) 

+%                           for ring fusion 

+%           nFB        :  beta single bond at n-atom (boldface) 

+%                           for ring fusion 

+%           nGA        :  alpha single bond at n-atom (dotted line) 

+%                           for the other ring fusion 

+%           nGB        :  beta single bond at n-atom (boldface) 

+%                           for the other ring fusion 

+% \end{verbatim}

+%

+% The argument |OMIT| represents one bond to be omitted. 

+% The omitted edge is regarded as a fused position. 

+%

+% \begin{verbatim}

+%     OMIT:  one bond omitted (a, b, c, d, e, or f)

+% \end{verbatim}

+%

+% Several examples are shown as follows.

+% \begin{verbatim}

+%       e.g. 

+%        

+%        \fiveunitvi{1==N}{1==H;2==F}{a}

+% \end{verbatim}

+%

+% The definition of |\fiveunitvi| uses a picture environment and 

+% consists of the same unit processes as shown in |\sixheterov|: 

+% \begin{enumerate}

+% \item treatment of atom list, 

+% \item placing outer skeletons, 

+% \item placing inner double bonds, 

+% \item setting hetero atoms, and 

+% \item placing substituents by using |\setsixringv| partially. 

+% \end{enumerate}

+%

+% \begin{macro}{\fiveunitvi}

+% \begin{macro}{\@fiveunitvi}

+%    \begin{macrocode}

+\def\fiveunitvi{\@ifnextchar[{\@fiveunitvi[@}{\@fiveunitvi[r]}}

+\def\@fiveunitvi[#1]#2#3#4{\fiveheterovi[#1]{#2}{#3}[#4]}

+%    \end{macrocode}

+% \end{macro}

+% \end{macro}

+%

+%

+% \begin{verbatim}

+% (Old definition)

+% % \begin{macro}{\fiveunitvi}

+% % \begin{macro}{\@fiveunitvi}

+% %    \begin{macrocode}

+% \def\fiveunitvi{\@ifnextchar[{\@fiveunitvi}{\@fiveunitvi[r]}}

+% \def\@fiveunitvi[#1]#2#3#4{%

+% \iniatom\iniflag%initialize

+% %    \end{macrocode}

+% %

+% %    \begin{macrocode}

+% % %%%%%%%%%%%%%%%%%%%%%%%%%%

+% % % treatment of atom list %

+% % %%%%%%%%%%%%%%%%%%%%%%%%%%

+% %\def\aaa{}\def\bbb{}\def\ccc{}\def\ddd{}\def\eee{}\def\fff{}%

+% \@forsemicol\member:=#2\do{%

+% \expandafter\@m@mb@r\member;\relax%

+% \expandafter\twoch@r\@membera{}%

+% \ifcase\@tmpa%

+%  \or \xdef\aaa{\@memberb}%

+%  \or \xdef\bbb{\@memberb}%

+%  \or \xdef\ccc{\@memberb}%

+%  \or \xdef\eee{\@memberb}%

+%  \or \xdef\fff{\@memberb}%

+% \fi}%

+%  \begin{picture}(800,880)(-\shiftii,-\shifti)%

+%   \iforigpt \put(-\shiftii,-\shifti){\circle*{50}}%

+%            \put(-\noshift,-\noshift){\circle{50}}% 

+%    \typeout{command `fiveunitvi' origin: %

+%     (\the\noshift,\the\noshift) ---> (\the\shiftii,\the\shifti)}\fi%

+% %    \end{macrocode}

+% %

+% %    \begin{macrocode}

+% % %%%%%%%%%%%%%%%%%%

+% % % outer skeleton %

+% % %%%%%%%%%%%%%%%%%%

+% % changed OMIT to a list 1993/11/21 by Shinsaku Fujita

+% {\resetbdsw%

+% \@tfor\memBer:=#4\do{%

+% \if\memBer a\relax\gdef\@aaa{}\fi%

+% \if\memBer b\relax\gdef\@bbb{}\fi%

+% \if\memBer c\relax\gdef\@ccc{}\fi%

+% \if\memBer d\relax\gdef\@ddd{}\fi%

+% \if\memBer e\relax\gdef\@eee{}\fi%

+% %\if\memBer f\relax\gdef\@fff{}\fi%

+% }%

+% \if\@aaa a\relax\skbonda\fi% bond between 1 and 2

+% \if\@bbb b\relax\skbondb\fi% bond between 2 and 3

+% \if\@ccc c\relax\skbondhorizi\fi% bond between 3 and 4

+% \if\@ddd d\relax\skbonde\fi% bond between 4 and 5

+% \if\@eee e\relax\skbondf\fi% bond between 5 and 6

+% %\if\@fff f\relax\skbondf\fi% bond between 6 and 1

+% }%

+% %    \end{macrocode}

+% %

+% %    \begin{macrocode}

+% % %%%%%%%%%%%%%%%%%%%%%

+% % % inner double bond %

+% % %%%%%%%%%%%%%%%%%%%%%

+% \@tfor\member:=#1\do{%

+% \if\member r%

+% \else\if\member a\relax%

+%  \ifx#4a\relax\else%

+%    \bonda%

+%  \fi%

+% \else\if\member b\relax%

+%  \ifx#4b\relax\else%

+%   \bondb%

+%  \fi%

+% \else\if\member c\relax%

+%  \ifx#4c\relax\else%

+%    \bondhorizi%

+%  \fi%

+% \else\if\member d\relax%

+%  \ifx#4d\relax\else%

+%   \bonde%

+%  \fi%

+% \else\if\member e\relax%

+%  \ifx#4e\relax\else%

+%   \bondf%

+%  \fi%

+% \else \expandafter\twoch@@r\member{}{}%     %plus or minus charges

+%       \if\@@tmpa 1\relax%

+%         \putratom{-38}{282}{\@@tmpb}%      % right type

+%       \else\if\@@tmpa 2\relax%

+%         \putratom{60}{233}{\@@tmpb}%        % right type

+%       \else\if\@@tmpa 3\relax%

+%         \putratom{60}{120}{\@@tmpb}%        % right type

+%       \else\if\@@tmpa 4\relax%

+%         \putratom{-60}{120}{\@@tmpb}%       % right type

+%       \else\if\@@tmpa 5\relax%

+%         \putratom{-60}{233}{\@@tmpb}%       % right type

+%       \fi\fi\fi\fi\fi%

+% \fi\fi\fi\fi\fi\fi}%

+% %    \end{macrocode}

+% %

+% %    \begin{macrocode}

+% % %%%%%%%%%%%%%%%%%%%%%%%

+% % % setting heteroatoms %

+% % %%%%%%%%%%%%%%%%%%%%%%%

+% \ifx\aaa\empty\else%

+%      \@acliptrue%

+%      \putratom{-31}{356}{\aaa}%  % right type  at 1

+% \fi%

+% \ifx\bbb\empty\else%

+%      \@bcliptrue%

+%      \putratom{135}{280}{\bbb}%  % right type at 3

+% \fi%

+% \ifx\fff\empty\else%

+%      \@fcliptrue%

+%      \putlatom{-135}{280}{\fff}% % left type at 4

+% \fi%

+% \ifx\ccc\empty\else%

+%      \@ccliptrue%

+%      \putratom{135}{65}{\ccc}%   % right type at 2

+% \fi%

+% \ifx\eee\empty\else%

+%      \@ecliptrue%

+%      \putlatom{-135}{65}{\eee}%  % left type at 5 

+% \fi%

+% %    \end{macrocode}

+% %

+% %    \begin{macrocode}

+% % %%%%%%%%%%%%%%%%%%%%%%%%

+% % % setting substituents %

+% % %%%%%%%%%%%%%%%%%%%%%%%%

+% \setsixringv{#3}{0}{0}{4}{0}%  % for 1 to 3

+% \setsixringv{#3}{1}{4}{7}{0}%  % for 4 to 5

+% \end{picture}\iniatom\iniflag}%               %end of \fiveunitvi macro

+% %    \end{macrocode}

+% % \end{macro}

+% % \end{macro}

+% \end{verbatim}

+%

+% \section{Four-membered heterocycles}

+% \subsection{Horizontal bonds}

+%

+% \begin{macro}{\bondshoriz}

+%    \begin{macrocode}

+% %%%%%%%%%%%%%%%%%%%

+% % horizontal bond %

+% %%%%%%%%%%%%%%%%%%%

+% horizontal inner bond for four-membered rings

+\def\bondshoriz{%

+ \begin{picture}(200,300)(0,0)

+  \ifx\fff\empty%

+    \ifx\bbb\empty%

+     \put(-138,270){\line(1,0){134}}%double bond 4-3

+    \else%

+     \put(-138,270){\line(1,0){115}}%double bond 4-3

+    \fi%

+  \else%

+    \ifx\bbb\empty%

+     \put(-120,270){\line(1,0){115}}%double bond 4-3

+    \else%

+     \put(-120,270){\line(1,0){96}}%double bond 4-3

+    \fi%

+  \fi\end{picture}}%

+% horizontal inner bond for four-membered rings (inverse type) 

+\def\bondshorizi{%

+ \begin{picture}(200,300)(0,0)

+  \ifx\eee\empty%

+    \ifx\ccc\empty%

+     \put(-138,136){\line(1,0){134}}%double bond 4-3

+    \else%%

+     \put(-138,136){\line(1,0){115}}%double bond 4-3

+    \fi%

+  \else%

+    \ifx\ccc\empty%

+     \put(-120,136){\line(1,0){115}}%double bond 4-3

+    \else%

+     \put(-120,136){\line(1,0){96}}%double bond 4-3

+    \fi%

+  \fi\end{picture}}%

+%    \end{macrocode}

+% \end{macro}

+%

+% \begin{macro}{\skbondshoriz}

+%    \begin{macrocode}

+%horizontal bond for four-membered rings

+\def\skbondshoriz{%

+ \begin{picture}(200,300)(0,0)

+  \ifx\fff\empty%

+    \ifx\bbb\empty%

+     \put(-171,303){\line(1,0){200}}%bond 4-3

+    \else%

+     \put(-171,303){\line(1,0){158}}%bond 4-3

+    \fi%

+  \else%

+    \ifx\bbb\empty%

+     \put(29,303){\line(-1,0){158}}%bond 4-3

+    \else%

+     \put(-129,303){\line(1,0){116}}%bond 4-3

+    \fi%

+  \fi\end{picture}}%

+%    \end{macrocode}

+% \end{macro}

+%

+% \begin{macro}{\skbondshorizi}

+%    \begin{macrocode}

+%horizontal bond for four-membered rings (inverse type)

+\def\skbondshorizi{%

+ \begin{picture}(200,300)(0,0)

+  \ifx\eee\empty%

+    \ifx\ccc\empty%

+     \put(-171,103){\line(1,0){200}}%bond 4-3

+    \else%

+     \put(-171,103){\line(1,0){158}}%bond 4-3

+    \fi%

+  \else%

+    \ifx\ccc\empty%

+     \put(29,103){\line(-1,0){158}}%bond 4-3

+    \else%

+     \put(-129,103){\line(1,0){116}}%bond 4-3

+    \fi%

+  \fi\end{picture}}%

+%    \end{macrocode}

+% \end{macro}

+%

+% \begin{macro}{\dotskbondshoriz}

+%    \begin{macrocode}

+%horizontal bond for four-membered rings

+\def\dotskbondshoriz{%

+ \begin{picture}(200,300)(0,0)

+  \ifx\fff\empty%

+    \ifx\bbb\empty%

+       \@ifundefined{dottedline}{%

+        \put(-171,303){\line(1,0){200}}%bond 4-3

+           }{{\thicklines%

+              \dottedline{20}(-171,303)(29,303)}}%

+    \else%

+       \@ifundefined{dottedline}{%

+        \put(-171,303){\line(1,0){158}}%bond 4-3

+           }{{\thicklines%

+              \dottedline{20}(-171,303)(-29,303)}}%

+    \fi%

+  \else%

+    \ifx\bbb\empty%

+       \@ifundefined{dottedline}{%

+        \put(29,303){\line(-1,0){158}}%bond 4-3

+           }{{\thicklines%

+              \dottedline{20}(29,303)(-129,303)}}%

+    \else%

+       \@ifundefined{dottedline}{%

+       \put(-129,303){\line(1,0){116}}%bond 4-3

+           }{{\thicklines%

+              \dottedline{20}(-129,303)(-13,303)}}%

+    \fi%

+  \fi\end{picture}}%

+%    \end{macrocode}

+% \end{macro}

+%

+% \begin{macro}{\dotskbondshorizi}

+%    \begin{macrocode}

+%horizontal bond for four-membered rings (inverse type)

+\def\dotskbondshorizi{%

+ \begin{picture}(200,300)(0,0)

+  \ifx\eee\empty%

+    \ifx\ccc\empty%

+       \@ifundefined{dottedline}{%

+        \put(-171,103){\line(1,0){200}}%bond 4-3

+           }{{\thicklines%

+              \dottedline{20}(-171,103)(29,103)}}%

+    \else%

+       \@ifundefined{dottedline}{%

+        \put(-171,103){\line(1,0){158}}%bond 4-3

+           }{{\thicklines%

+              \dottedline{20}(-171,103)(-29,103)}}%

+    \fi%

+  \else%

+    \ifx\ccc\empty%

+       \@ifundefined{dottedline}{%

+        \put(29,103){\line(-1,0){158}}%bond 4-3

+           }{{\thicklines%

+              \dottedline{20}(29,103)(-129,103)}}%

+    \else%

+       \@ifundefined{dottedline}{%

+        \put(-129,103){\line(1,0){116}}%bond 4-3

+           }{{\thicklines%

+              \dottedline{20}(-129,103)(-13,103)}}%

+    \fi%

+  \fi\end{picture}}%

+%    \end{macrocode}

+% \end{macro}

+%

+% \subsection{Drawing four-membered heterocycles}

+%

+% The macro |\fourhetero| typesets a four-membered ring.  The following 

+% numbering is adopted in this macro. 

+%

+% \begin{verbatim}

+% **************************

+% * fourhetero derivatives *

+% *  (vertical type)       *

+% **************************

+% The following numbering is adopted in this macro. 

+%

+%          c

+%     4  _____  3

+%    d  |     |  b

+%       |     |

+%     1  -----  2<===== the original point

+%          a

+% \end{verbatim}

+%

+% The macro |\fourhetero| has two arguments |ATOMLIST| and |SUBSLIST| 

+% as well as an optional argument |BONDLIST|.  

+% Two optional arguments |SKBONDLIST| and |OMIT| are added to 

+% treat stereochemical information or other bond situations. 

+%

+% \begin{verbatim}

+%   \fourhetero(SKBONDLIST)[BONDLIST]{ATOMLIST}{SUBSLIST}[OMIT]

+% \end{verbatim}

+%

+% The |SKBONDLIST| argument contains pairs of two alphabets in 

+% parentheses, e.g. (\{bA\}\{fB\}).  Each pair contains a lowercase 

+% character selected from bond specifiers `a' to `d' and a uppercase

+% character `A' or `B'. 

+%

+% The |BONDLIST| argument contains one 

+% character selected from a to e, each of which indicates the presence of 

+% an inner (endcyclic) double bond on the corresponding position. 

+% The option `$n+$' ($n=1$ to $4$) represents a plus charge on a hetero atom 

+% at the $n$-position. 

+%

+% \begin{verbatim}

+%     BONDLIST: list of inner double bonds 

+%

+%           a          :  1,2-double bond

+%           b          :  2,3-double bond

+%           c          :  4,3-double bond

+%           e          :  4,1-double bond

+%

+%           {n+}       :  plus at the n-nitrogen atom (n = 1 to 4)

+% \end{verbatim}

+%

+% The |ATOMLIST| argument contains one or more heteroatom descriptors 

+% which are separated from each other by a semicolon.  Each heteroatom 

+% descriptor consists of a locant number and a heteroatom, 

+% where these are separated with a double equality symbol. 

+%

+% \begin{verbatim}

+%     ATOMLIST: list of heteroatoms (max 4 atoms)

+%

+%       for n = 1 to 4

+%

+%           n          : Hetero atom, e.g. N, O, etc. at n-position

+%                        e.g. 1==N for N at 1-position

+% \end{verbatim}

+%

+% The |SUBSLIST| argument contains one or more substitution descriptors 

+% which are separated from each other by a semicolon.  Each substitution 

+% descriptor has a locant number with a bond modifier and a substituent, 

+% where these are separated with a double equality symbol. 

+%

+% \begin{verbatim}

+%     SUBSLIST: list of substituents

+%

+%       for n = 1 to 4 

+%

+%           nD         :  exocyclic double bond at n-atom

+%           n or nS    :  exocyclic single bond at n-atom

+%           nA         :  alpha single bond at n-atom

+%           nB         :  beta single bond at n-atom

+%           nSA        :  alpha single bond at n-atom (boldface)

+%           nSB        :  beta single bond at n-atom (dotted line)

+%           nSa        :  alpha (not specified) single bond at n-atom

+%           nSb        :  beta (not specified) single bond at n-atom

+%

+%           nSd        :  alpha single bond at n-atom (dotted line) 

+%                           with an alternative direction to nSA 

+%           nSu        :  beta single bond at n-atom (boldface) 

+%                           with an alternative direction to nSB 

+%           nFA        :  alpha single bond at n-atom (dotted line) 

+%                           for ring fusion 

+%           nFB        :  beta single bond at n-atom (boldface) 

+%                           for ring fusion 

+%           nGA        :  alpha single bond at n-atom (dotted line) 

+%                           for the other ring fusion 

+%           nGB        :  beta single bond at n-atom (boldface) 

+%                           for the other ring fusion 

+% \end{verbatim}

+%

+% The argument |OMIT| represents one or more bonds to be omitted. 

+% The omitted edges may be regarded as both fused and non-fused 

+% positions. 

+%

+% \begin{verbatim}

+%     OMIT:  one or more bonds omitted (a to d: see BONDLIST)

+% \end{verbatim}

+%

+% Several examples are shown as follows.

+% \begin{verbatim}

+%       e.g. 

+%        

+%        \fourhetero{1==N}{1==H;2==F}

+%        \fourhetero[c]{1==N}{1==Cl;4==F;2==CH$_{3}$}

+%        \fourhetero[eb]{1==N}{1D==O;4SA==MeO;4SB==OMe;5W==Cl;6==Cl}

+% \end{verbatim}

+%

+% The definition of |\fourhetero| uses a picture environment and 

+% consists of the same unit processes as shown in |\sixheterov|: 

+% \begin{enumerate}

+% \item treatment of atom list, 

+% \item placing outer skeletons, 

+% \item placing inner double bonds, 

+% \item setting hetero atoms, and 

+% \item placing substituents by using |\setsixringv| partially. 

+% \end{enumerate}

+% \changes{v1.02}{1998/10/31}{Adding \cs{ylposition}, \cs{if@ylsw},

+% \cs{yl@shifti}, \cs{@ylii}, \cs{yl@shiftii}, \cs{@ylii}, 

+% \cs{yl@xdiff} and \cs{yl@ydiff}}

+% \changes{v2.00}{1998/12/5}{Add: spiro and fused rings}

+%

+% \begin{macro}{\fourhetero}

+% \begin{macro}{\@four@hetero}

+% \begin{macro}{\@four@@hetero}

+% \begin{macro}{\@fourhetero}

+%    \begin{macrocode}

+\def\fourhetero{\@ifnextchar({\@four@hetero(@}{\@four@hetero(@)}}

+\def\@four@hetero(#1){\@ifnextchar[{\@four@@hetero(#1)[@}%

+{\@four@@hetero(#1)[@]}}

+\def\@four@@hetero(#1)[#2]#3#4{\@ifnextchar[%

+{\@fourhetero(#1)[#2]{#3}{#4}[@}%

+{\@fourhetero(#1)[#2]{#3}{#4}[@]}}

+\def\@fourhetero(#1)[#2]#3#4[#5]{%

+%    \end{macrocode}

+%

+%    \begin{macrocode}

+% %%%%%%%%%%%%%%%%%%%%%%%%%%

+% % treatment of atom list %

+% %%%%%%%%%%%%%%%%%%%%%%%%%%

+\iniatom\iniflag%initialize

+\test@vertix@sixv{#3}{e}{c}{b}{f}{@}{@}%

+% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%

+% % adustment of subs positions %

+% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%

+\@reset@ylsw%

+\ylposition{#4}{5}{1}{4}{-1}% for 2 to 3

+\if@ylsw \ifx\@@ylii\empty

+\def\@@ylii{142}\def\@@yli{0}\fi

+\else

+\ylposition{#4}{4}{4}{6}{0}% for 1

+\fi

+\if@ylsw \ifx\@@ylii\empty

+\def\@@ylii{0}\def\@@yli{0}\fi

+\else

+\ylposition{#4}{2}{5}{7}{0}% for 4

+\fi

+\if@ylsw \ifx\@@ylii\empty

+\def\@@ylii{0}\def\@@yli{0}\fi

+\fi

+\if@ylsw

+ \yl@shiftii=\@ylii

+ \yl@shifti=\@yli

+ \advance\yl@shiftii\@@ylii

+ \advance\yl@shifti\@@yli

+ \advance\yl@shiftii\yl@xdiff

+ \advance\yl@shifti\yl@ydiff

+ \begin{picture}(0,0)(-\yl@shiftii,-\yl@shifti)

+ \reset@yl@xydiff%1999/1/6 by S. Fujita

+\else

+%

+%\begin{picture}(800,880)(-\shiftii,-\shifti)%

+%  \iforigpt\put(-\shiftii,-\shifti){\circle*{50}}%

+%           \put(-\noshift,-\noshift){\circle{50}}% 

+%   \typeout{command `fourhetero' origin: %

+%    (\the\noshift,\the\noshift) ---> (\the\shiftii,\the\shifti)}\fi%

+% Correction of the zero point: S. Fujita 1993/11/19

+%   x axis: 400 + 171 = 571

+%   y axis: 240 - 103 = 137

+%

+\begin{picture}(800,880)(-571,-137)%

+  \iforigpt\put(-571,-137){\circle*{50}}%

+           \put(-171,103){\circle{50}}% 

+   \typeout{command `fourhetero' origin: %

+    (\the\noshift,\the\noshift) ---> (\the\shiftii,\the\shifti)}\fi%

+\fi

+%    \end{macrocode}

+%

+%    \begin{macrocode}

+% %%%%%%%%%%%%%%%%%%

+% % outer skeleton %

+% %%%%%%%%%%%%%%%%%%

+{\resetbdsw%

+\@bond@@omit{#5}%

+\put(0,0){\set@skel@longbond{#1}{a}{skbondshorizi}}%

+       % bond between 1 and 2 \@aaa -> \skbondshorizi etc

+\put(-142,0){\set@skel@bond{#1}{b}{b}}%

+       % bond between 2 and 3 \@bbb -> \skbondb etc

+\put(0,0){\set@skel@longbond{#1}{c}{skbondshoriz}}%

+      % bond between 3 and 4 \@ccc -> \skbondshoriz etc

+\put(0,0){\set@skel@bond{#1}{d}{e}}%

+     % bond between 4 and 1 \@ddd -> \skbonde etc

+}%

+%    \end{macrocode}

+%

+%    \begin{macrocode}

+% %%%%%%%%%%%%%%%%%%%%%

+% % inner double bond %

+% %%%%%%%%%%%%%%%%%%%%%

+\@tfor\member:=#2\do{%

+\if\member r%

+\else\if\member a\relax \put(0,0){\bondshorizi}%

+\else\if\member b\relax \put(-142,0){\bondb}%

+\else\if\member c\relax \put(0,0){\bondshoriz}%

+\else\if\member d\relax \put(0,0){\bonde}%

+\else 

+% %%%%%%%%%%%%%%%%%%%%%%%%%

+% % inner bond attachment %

+% %%%%%%%%%%%%%%%%%%%%%%%%%

+   \expandafter\twoCH@@R\member//%

+    \set@fusionadd@fourv

+\fi\fi\fi\fi\fi}%

+%    \end{macrocode}

+%

+%    \begin{macrocode}

+% %%%%%%%%%%%%%%%%%%%%%%%

+% % setting heteroatoms %

+% %%%%%%%%%%%%%%%%%%%%%%%

+\put(-142,0){\set@hetatom@sixv{#3}{5}{1}{4}{-1}}% for 2 to 3

+\put(0,0){\set@hetatom@sixv{#3}{4}{4}{6}{0}}% for 1

+\put(0,0){\set@hetatom@sixv{#3}{2}{5}{7}{0}}% for 4

+%    \end{macrocode}

+%

+%    \begin{macrocode}

+% %%%%%%%%%%%%%%%%%%%%%%%%

+% % setting substituents %

+% %%%%%%%%%%%%%%%%%%%%%%%%

+\put(-142,0){\setsixringv{#4}{5}{1}{4}{-1}}% for 2 to 3

+\put(0,0){\setsixringv{#4}{4}{4}{6}{0}}% for 1

+\put(0,0){\setsixringv{#4}{2}{5}{7}{0}}% for 4

+\end{picture}\iniatom\iniflag}%     %end of \fourhetero macro

+%    \end{macrocode}

+% \end{macro}

+% \end{macro}

+% \end{macro}

+% \end{macro}

+%

+% The macro |\set@fusionadd@fourv| is an inner command contained 

+% in the definition of |\fourhetero| etc., where   

+% the macro is used for setting an additive 

+% or a fused ring at each bond (designated by |\@@tmpa|).  The 

+% fused ring is typeset by the inner command |\set@fusion@fourv|. 

+%

+% \begin{macro}{\set@fusionadd@fourv}

+% \changes{v2.00}{1998/12/5}{New command: \cs{set@fusionadd@fourv}}
+%    \begin{macrocode}

+\def\set@fusionadd@fourv{%

+      \if\@@tmpa 1\relax%

+        \putlatom{-200}{120}{\scriptsize \@@tmpb}%       % right type

+      \else\if\@@tmpa 2\relax%

+        \putratom{60}{120}{\scriptsize \@@tmpb}%        % right type

+      \else\if\@@tmpa 3\relax%

+        \putratom{60}{233}{\scriptsize \@@tmpb}%        % right type

+      \else\if\@@tmpa 4\relax%

+        \putlatom{-200}{233}{\scriptsize \@@tmpb}%       % right type

+      \else

+% %%%%%%%%%%%%%%%%%%%%%

+% % inner bond fusion %

+% %%%%%%%%%%%%%%%%%%%%%

+        \set@fusion@fourv

+      \fi\fi\fi\fi%

+}% 

+%    \end{macrocode}

+% \end{macro}

+%

+% The inner command |\set@fusion@fourv| is used for typesetting 

+% a fused ring at each bond represented by |\@@tmpa|.  Warnings 

+% concerning mismatched ring-fusions are based on the command 

+% |\FuseWarning|. 

+%

+% \begin{macro}{\set@fusion@fourv}

+% \changes{v2.00}{1998/12/5}{New command: \cs{set@fusion@fourv}}
+%    \begin{macrocode}

+\def\set@fusion@fourv{%

+% %%%%%%%%%%%%%%%%%%%%%

+% % inner bond fusion %

+% %%%%%%%%%%%%%%%%%%%%%

+\if\@@tmpa d\relax%

+        \putlratom{-171}{303}{\@@tmpb}%     % bond fused

+        \FuseWarning{0}{200}%

+          {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{d}%

+      \else\if\@@tmpa D\relax%

+        \putlratom{-171}{103}{\@@tmpb}%     % bond fused

+        \FuseWarning{0}{-200}%

+          {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{D}%

+      \else\if\@@tmpa a\relax%

+        \putlratom{-173}{103}{\@@tmpb}%     % bond fused

+        \FuseWarning{-200}{0}%

+          {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{f}%

+      \else\if\@@tmpa A\relax%

+        \putlratom{27}{103}{\@@tmpb}%       % bond fused

+        \FuseWarning{200}{0}%

+          {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{A}%

+      \else\if\@@tmpa b\relax%

+        \putlratom{27}{103}{\@@tmpb}%    % bond fused

+        \FuseWarning{0}{-200}%

+          {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{b}%

+      \else\if\@@tmpa B\relax%

+        \putlratom{27}{303}{\@@tmpb}%    % bond fused

+        \FuseWarning{0}{200}%

+          {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{B}%

+      \else\if\@@tmpa c\relax%

+        \putlratom{27}{303}{\@@tmpb}%    % bond fused

+        \FuseWarning{200}{0}%

+          {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{c}%

+      \else\if\@@tmpa C\relax%

+        \putlratom{-171}{303}{\@@tmpb}%      % bond fused

+        \FuseWarning{-200}{0}%

+          {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{C}%

+\fi\fi\fi\fi\fi\fi\fi\fi%

+}% end of the macro \set@fusion@fourv

+%    \end{macrocode}

+% \end{macro}

+%

+% \section{Three-membered heterocycles}

+% \subsection{Vertical type}

+% \subsubsection{Sloped bonds}

+%

+% \begin{macro}{\bondtria}

+%    \begin{macrocode}

+% **********************

+% * bonds for triangle *

+% **********************

+% fff 3--------2bbb

+%      `     /

+%   ddd  `1/ <===== the original point

+% bond between 1 and 2

+ \def\bondtria{%

+  \ifx\ddd\empty%

+   \ifx\bbb\empty%

+    \put(-6,42){\line(3,5){72}}%           %double bond 1-2

+   \else%

+    \put(-6,42){\line(3,5){60}}%           %double bond 1-2

+   \fi%

+  \else%

+   \ifx\bbb\empty%

+    \put(6,62){\line(3,5){60}}%            %double bond 1-2

+   \else%

+    \put(10,32){\line(3,5){60}}%           %double bond 1-2

+   \fi%                                    

+  \fi%

+}%

+%    \end{macrocode}

+% \end{macro}

+%

+% \begin{macro}{\bondtrib}

+%    \begin{macrocode}

+% bond between 1 and 3

+ \def\bondtrib{%

+  \ifx\ddd\empty%

+   \ifx\fff\empty%

+    \put(6,42){\line(-3,5){72}}%           %double bond 1-3

+   \else%

+    \put(6,42){\line(-3,5){60}}%           %double bond 1-3

+   \fi%

+  \else%

+   \ifx\fff\empty%

+    \put(-6,62){\line(-3,5){60}}%          %double bond 1-2

+   \else%

+    \put(6,42){\line(-3,5){60}}%           %double bond 1-2

+   \fi%                                    

+  \fi%

+ }%

+%    \end{macrocode}

+% \end{macro}

+%

+% \begin{macro}{\skbondtria}

+%    \begin{macrocode}

+%bond between 1 and 2

+\def\skbondtria{%

+ \begin{picture}(200,200)(0,0)

+  \ifx\ddd\empty%

+    \ifx\bbb\empty%

+     \put(0,0){\line(3,5){103}}%           %bond 1-2

+    \else%

+     \put(0,0){\line(3,5){80}}%            %bond 1-2

+    \fi%

+  \else%

+    \ifx\bbb\empty%

+     \put(103,171){\line(-3,-5){80}}%      %bond 1-2

+    \else%

+     \put(35,21){\line(3,5){60}}%          %bond 1-2

+    \fi%

+  \fi\end{picture}}%

+%    \end{macrocode}

+% \end{macro}

+%

+% \begin{macro}{\skbondtrib}

+%    \begin{macrocode}

+%bond between 1 and 3

+\def\skbondtrib{%

+ \begin{picture}(200,200)(0,0)

+  \ifx\ddd\empty%

+    \ifx\fff\empty%

+     \put(0,0){\line(-3,5){103}}%         %bond 1-3

+    \else%

+     \put(0,0){\line(-3,5){80}}%          %bond 1-3

+    \fi%

+  \else%

+%    \ifx\eee\empty%bug fix 1993/11/19

+    \ifx\fff\empty%

+     \put(-103,171){\line(3,-5){80}}%     %bond 1-3

+    \else%

+     \put(-35,21){\line(-3,5){60}}%       %bond 1-3

+    \fi%

+  \fi\end{picture}}%

+%    \end{macrocode}

+% \end{macro}

+%

+% \begin{macro}{\dotskbondtria}

+%    \begin{macrocode}

+%bond between 1 and 2

+\def\dotskbondtria{%

+ \begin{picture}(200,200)(0,0)

+  \ifx\ddd\empty%

+    \ifx\bbb\empty%

+       \@ifundefined{dottedline}{%

+        \put(0,0){\line(3,5){103}}%           %bond 1-2

+           }{{\thicklines%

+              \dottedline{20}(0,0)(103,171)}}%

+    \else%

+       \@ifundefined{dottedline}{%

+        \put(0,0){\line(3,5){80}}%            %bond 1-2

+           }{{\thicklines%

+              \dottedline{20}(0,0)(80,133)}}%

+    \fi%

+  \else%

+    \ifx\bbb\empty%

+       \@ifundefined{dottedline}{%

+        \put(103,171){\line(-3,-5){80}}%      %bond 1-2

+           }{{\thicklines%

+%              \dottedline{20}(0,0)(23,38)}}%

+              \dottedline{20}(103,171)(23,38)}}%

+    \else%

+       \@ifundefined{dottedline}{%

+        \put(35,21){\line(3,5){60}}%          %bond 1-2

+           }{{\thicklines%

+              \dottedline{20}(35,21)(95,121)}}%

+    \fi%

+  \fi\end{picture}}%

+%    \end{macrocode}

+% \end{macro}

+%

+% \begin{macro}{\dotskbondtrib}

+%    \begin{macrocode}

+%bond between 1 and 3

+\def\dotskbondtrib{%

+ \begin{picture}(200,200)(0,0)

+  \ifx\ddd\empty%

+    \ifx\fff\empty%

+       \@ifundefined{dottedline}{%

+        \put(0,0){\line(-3,5){103}}%         %bond 1-3

+           }{{\thicklines%

+              \dottedline{20}(0,0)(-103,171)}}%

+    \else%

+       \@ifundefined{dottedline}{%

+        \put(0,0){\line(-3,5){80}}%          %bond 1-3

+           }{{\thicklines%

+              \dottedline{20}(0,0)(-80,133)}}%

+    \fi%

+  \else%

+    \ifx\fff\empty%

+       \@ifundefined{dottedline}{%

+        \put(-103,171){\line(3,-5){80}}%     %bond 1-3

+           }{{\thicklines%

+              \dottedline{20}(-103,171)(-23,38)}}%

+    \else%

+       \@ifundefined{dottedline}{%

+        \put(-35,21){\line(-3,5){60}}%       %bond 1-3

+           }{{\thicklines%

+              \dottedline{20}(-35,21)(-95,121)}}%

+    \fi%

+  \fi\end{picture}}%

+%    \end{macrocode}

+% \end{macro}

+%

+% \subsubsection{Drawing three-membered heterocycles}

+%

+% The macro |\threehetero| typesets a three-membered ring.  The following 

+% numbering is adopted in this macro. 

+%

+% \begin{verbatim}

+% ****************************

+% * thereehetero derivatives *

+% *  (vertical type)         *

+% ****************************

+%

+%         b

+%     3--------2

+%    c `     / a

+%        `1/ <===== the original point

+% \end{verbatim}

+%

+% The macro |\threehetero| has two arguments |ATOMLIST| and |SUBSLIST| 

+% as well as an optional argument |BONDLIST|.  

+% Two optional arguments |SKBONDLIST| and |OMIT| are added to 

+% treat stereochemical information or other bond situations. 

+%

+% \begin{verbatim}

+%   \threehetero(SKBONDLIST)[BONDLIST]{ATOMLIST}{SUBSLIST}[OMIT]

+%   \threeheterov(SKBONDLIST)[BONDLIST]{ATOMLIST}{SUBSLIST}[OMIT]

+% \end{verbatim}

+%

+% The |SKBONDLIST| argument contains pairs of two alphabets in 

+% parentheses, e.g. (\{bA\}\{fB\}).  Each pair contains a lowercase 

+% character selected from bond specifiers `a' to `c' and a uppercase

+% character `A' or `B'. 

+%

+% The |BONDLIST| argument contains one 

+% character selected from a to c, each of which indicates the presence of 

+% an inner (endcyclic) double bond on the corresponding position. 

+% The option `$n+$' ($n=1$ to $3$) represents a plus charge on a hetero atom 

+% at the $n$-position. 

+% The option `$n+$' ($n=4$ to $6$) represents a plus charge outside the ring. 

+% The option `$0+$' typesets a plus charge at the center of the ring. 

+%

+% \begin{verbatim}

+%     BONDLIST = 

+%

+%           none       :  saturated 

+%           a          :  1,2-double bond

+%           b          :  2,3-double bond

+%           c          :  3,1-double bond

+%           A          :  aromatic circle 

+%           {n+}       :  plus at the n-hetero atom (n = 1 to 3)

+%                      :  n=4 -- outer plus at 1 position

+%                      :  n=5 -- outer plus at 2 position

+%                      :  n=6 -- outer plus at 3 position

+%           {0+}       :  plus at the center of a cyclopropane ring

+% \end{verbatim}

+%

+% The |ATOMLIST| argument contains one or more heteroatom descriptors 

+% which are separated from each other by a semicolon.  Each heteroatom 

+% descriptor consists of a locant number and a heteroatom, 

+% where these are separated with a double equality symbol. 

+%

+% \begin{verbatim}

+%     ATOMLIST: list of heteroatoms (max 3 atoms)

+%

+%       for n = 1 to 3

+%

+%           n          : Hetero atom, e.g. N, O, etc. at n-position, 

+%                        e.g. 1==N for N at 1-position

+% \end{verbatim}

+%

+% The |SUBSLIST| argument contains one or more substitution descriptors 

+% which are separated from each other by a semicolon.  Each substitution 

+% descriptor has a locant number with a bond modifier and a substituent, 

+% where these are separated with a double equality symbol. 

+%

+% \begin{verbatim}

+%     SUBSLIST: list of substituents

+%

+%       for n = 1 to 3 

+%

+%           nD         :  exocyclic double bond at n-atom

+%           n or nS    :  exocyclic single bond at n-atom

+%           nA         :  alpha single bond at n-atom

+%           nB         :  beta single bond at n-atom

+%           nSA        :  alpha single bond at n-atom (boldface)

+%           nSB        :  beta single bond at n-atom (dotted line)

+%           nSa        :  alpha (not specified) single bond at n-atom

+%           nSb        :  beta (not specified) single bond at n-atom

+%

+%           nSd        :  alpha single bond at n-atom (dotted line) 

+%                           with an alternative direction to nSA 

+%           nSu        :  beta single bond at n-atom (boldface) 

+%                           with an alternative direction to nSB 

+%           nFA        :  alpha single bond at n-atom (dotted line) 

+%                           for ring fusion 

+%           nFB        :  beta single bond at n-atom (boldface) 

+%                           for ring fusion 

+%           nGA        :  alpha single bond at n-atom (dotted line) 

+%                           for the other ring fusion 

+%           nGB        :  beta single bond at n-atom (boldface) 

+%                           for the other ring fusion 

+% \end{verbatim}

+%

+% The argument |OMIT| represents one or more bonds to be omitted. 

+% The omitted edges may be regarded as both fused and non-fused 

+% positions. 

+%

+% \begin{verbatim}

+%     OMIT:  one or more bonds omitted (a to c: see BONDLIST)

+% \end{verbatim}

+%

+% Several examples are shown as follows.

+% \begin{verbatim}

+%       e.g. 

+%        

+%        \threehetero{1==N}{1==Cl;2==F}

+%        \threehetero[c]{1==N}{1==Cl;4==F;2==CH$_{3}$}

+%        \threehetero{1==N}{1D==O;4SA==MeO;4SB==OMe;5==Cl;6==Cl}

+% \end{verbatim}

+%

+% The definition of |\threehetero| uses a picture environment and 

+% consists of the same unit processes as shown in |\sixheterov|: 

+% \begin{enumerate}

+% \item treatment of atom list, 

+% \item placing outer skeletons, 

+% \item placing inner double bonds, 

+% \item setting hetero atoms, and 

+% \item placing substituents by using |\setsixringv| partially. 

+% \end{enumerate}

+% \changes{v1.02}{1998/10/31}{Adding \cs{ylposition}, \cs{if@ylsw},

+% \cs{yl@shifti}, \cs{@ylii}, \cs{yl@shiftii}, \cs{@ylii}, 

+% \cs{yl@xdiff} and \cs{yl@ydiff}}

+% \changes{v2.00}{1998/12/5}{Add: spiro and fused rings}

+%

+% \begin{macro}{\threehetero}

+% \begin{macro}{\@three@hetero}

+% \begin{macro}{\@three@@hetero}

+% \begin{macro}{\@threehetero}

+%    \begin{macrocode}

+\def\threehetero{\@ifnextchar({\@three@hetero(@}{\@three@hetero(@)}}

+\def\@three@hetero(#1){\@ifnextchar[{\@three@@hetero(#1)[@}%

+{\@three@@hetero(#1)[@]}}

+\def\@three@@hetero(#1)[#2]#3#4{\@ifnextchar[%

+{\@threehetero(#1)[#2]{#3}{#4}[@}%

+{\@threehetero(#1)[#2]{#3}{#4}[@]}}

+\def\@threehetero(#1)[#2]#3#4[#5]{%

+%    \end{macrocode}

+%

+%    \begin{macrocode}

+% %%%%%%%%%%%%%%%%%%%%%%%%%%

+% % treatment of atom list %

+% %%%%%%%%%%%%%%%%%%%%%%%%%%

+\iniatom\iniflag%initialize

+\test@vertix@sixv{#3}{d}{b}{f}{@}{@}{@}%

+% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%

+% % adustment of subs positions %

+% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%

+\@reset@ylsw%

+\ylposition{#4}{3}{3}{5}{0}%subst 1

+\if@ylsw \ifx\@@ylii\empty

+\def\@@ylii{68}\def\@@yli{0}\fi

+\else

+\ylposition{#4}{0}{1}{3}{0}%subst 2

+\fi

+\if@ylsw \ifx\@@ylii\empty

+\def\@@ylii{142}\def\@@yli{132}\fi

+\else

+\ylposition{#4}{3}{5}{7}{0}%subst 3

+\fi

+\if@ylsw \ifx\@@ylii\empty

+\def\@@ylii{0}\def\@@yli{132}\fi

+\fi

+\if@ylsw

+ \yl@shiftii=\@ylii

+ \yl@shifti=\@yli

+ \advance\yl@shiftii\@@ylii

+ \advance\yl@shifti\@@yli

+ \advance\yl@shiftii\yl@xdiff

+ \advance\yl@shifti\yl@ydiff

+ \begin{picture}(0,0)(-\yl@shiftii,-\yl@shifti)

+ \reset@yl@xydiff%1999/1/6 by S. Fujita

+\else

+%

+%\begin{picture}(800,880)(-\shiftii,-\shifti)%

+%  \iforigpt \put(-\shiftii,-\shifti){\circle*{50}}%

+%           \put(-\noshift,-\noshift){\circle{50}}% 

+%  adjust x,y-coodinate by S. Fujita 1993/11/20

+\begin{picture}(800,580)(-468,-240)%

+  \iforigpt \put(-468,-240){\circle*{50}}%

+           \put(-68,0){\circle{50}}% 

+   \typeout{command `threeheterov' origin: %

+    (68,0) ---> (468,240)}\fi%

+\fi

+%    \end{macrocode}

+%

+%    \begin{macrocode}

+% %%%%%%%%%%%%%%%%%%

+% % outer skeleton %

+% %%%%%%%%%%%%%%%%%%

+{\resetbdsw%

+\@bond@@omit{#5}%

+\put(-68,0){\set@skel@longbond{#1}{a}{skbondtria}}%

+       % bond between 1 and 2 \@aaa -> \skbondtria etc

+\put(0,-132){\set@skel@longbond{#1}{b}{skbondshoriz}}%

+       % bond between 2 and 3 \@bbb -> \skbondb etc

+\put(-68,0){\set@skel@longbond{#1}{c}{skbondtrib}}%

+       % bond between 3 and 1 \@ccc -> \skbondtria etc

+}%

+%    \end{macrocode}

+%

+%    \begin{macrocode}

+% %%%%%%%%%%%%%%%%%%%%%

+% % inner double bond %

+% %%%%%%%%%%%%%%%%%%%%%

+\@tfor\member:=#2\do{%

+\if\member r\relax%

+\else\if\member a\relax\put(-68,0){\bondtria}%

+\else\if\member b\relax\put(0,-126){\bondshoriz}%

+\else\if\member c\relax\put(-68,0){\bondtrib}%

+\else\if\member A\relax% aromatic circle 

+  \put(-70,108){\circle{100}}%               %circle

+\else

+% %%%%%%%%%%%%%%%%%%%%%%%%%

+% % inner bond attachment %

+% %%%%%%%%%%%%%%%%%%%%%%%%%

+   \expandafter\twoCH@@R\member//%

+    \set@fusionadd@threev

+\fi\fi\fi\fi\fi%

+}%

+%    \end{macrocode}

+%

+%    \begin{macrocode}

+% %%%%%%%%%%%%%%%%%%%%%%%%

+% % setting hetero atoms %

+% %%%%%%%%%%%%%%%%%%%%%%%%

+\put(-68,0){\set@hetatom@sixv{#3}{3}{3}{5}{0}%

+\if@clip\global\@cliptrue\fi

+}%subst 1

+\put(-142,-132){\set@hetatom@sixv{#3}{0}{1}{3}{0}%

+\if@bclip\global\@bcliptrue\fi

+}%subst 2

+\put(0,-132){\set@hetatom@sixv{#3}{3}{5}{7}{0}%

+\if@fclip\global\@fcliptrue\fi

+}%subst 3

+%    \end{macrocode}

+%

+%    \begin{macrocode}

+% %%%%%%%%%%%%%%%%%%%%%%%%

+% % setting substituents %

+% %%%%%%%%%%%%%%%%%%%%%%%%

+\put(-68,0){\setsixringv{#4}{3}{3}{5}{0}}%subst 1

+\put(-142,-132){\setsixringv{#4}{0}{1}{3}{0}}%subst 2

+\put(0,-132){\setsixringv{#4}{3}{5}{7}{0}}%subst 3

+\end{picture}%

+\iniatom\iniflag}%     %end of \threehetero macro

+%    \end{macrocode}

+% \end{macro}

+% \end{macro}

+% \end{macro}

+% \end{macro}

+%

+% \begin{macro}{\threeheterov}

+%    \begin{macrocode}

+\let\threeheterov=\threehetero

+%    \end{macrocode}

+% \end{macro}

+%

+% The macro |\set@fusionadd@threev| is an inner command contained 

+% in the definition of |\threehetero| etc., where   

+% the macro is used for setting an additive 

+% or a fused ring at each bond (designated by |\@@tmpa|).  The 

+% fused ring is typeset by the inner command |\set@fusion@threev|. 

+%

+% \begin{macro}{\set@fusionadd@threev}

+% \changes{v2.00}{1998/12/5}{New command: \cs{set@fusionadd@threev}}
+%    \begin{macrocode}

+\def\set@fusionadd@threev{%

+      \if\@@tmpa 0\relax%

+        \putratom{-94}{92}{\scriptsize\@@tmpb}%      % right type

+      \else\if\@@tmpa 1\relax%

+        \putratom{-94}{60}{\scriptsize\@@tmpb}%      % right type

+      \else\if\@@tmpa 2\relax%

+        \putratom{-52}{120}{\scriptsize\@@tmpb}%     % right type

+      \else\if\@@tmpa 3\relax%

+        \putratom{-126}{126}{\scriptsize\@@tmpb}%    % right type

+      \else\if\@@tmpa 4\relax%

+        \putratom{-30}{-20}{\scriptsize\@@tmpb}%      % right type

+      \else\if\@@tmpa 5\relax%

+        \putratom{52}{110}{\scriptsize\@@tmpb}%      % right type

+      \else\if\@@tmpa 6\relax%

+        \putratom{-250}{110}{\scriptsize\@@tmpb}%    % right type

+      \else

+% %%%%%%%%%%%%%%%%%%%%%

+% % inner bond fusion %

+% %%%%%%%%%%%%%%%%%%%%%

+        \set@fusion@threev

+      \fi\fi\fi\fi\fi\fi\fi%

+}% 

+%    \end{macrocode}

+% \end{macro}

+%

+% The inner command |\set@fusion@threev| is used for typesetting 

+% a fused ring at each bond represented by |\@@tmpa|.  Warnings 

+% concerning mismatched ring-fusions are based on the command 

+% |\FuseWarning|. 

+%

+% \begin{macro}{\set@fusion@threev}

+% \changes{v2.00}{1998/12/5}{New command: \cs{set@fusion@threev}}
+%    \begin{macrocode}

+\def\set@fusion@threev{%

+% %%%%%%%%%%%%%%%%%%%%%

+% % inner bond fusion %

+% %%%%%%%%%%%%%%%%%%%%%

+\if\@@tmpa b\relax%

+        \putlratom{29}{171}{\@@tmpb}%    % bond fused

+        \FuseWarning{200}{0}%

+          {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{b}%

+      \else\if\@@tmpa B\relax%

+        \putlratom{-171}{171}{\@@tmpb}%      % bond fused

+        \FuseWarning{-200}{0}%

+          {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{B}%

+      \else\if\@@tmpa a\relax%

+        \putlratom{-68}{0}{\@@tmpb}%    % bond fused

+        \FuseWarning{-103}{-171}%

+          {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{a}%

+      \else\if\@@tmpa A\relax%

+        \putlratom{29}{171}{\@@tmpb}%    % bond fused

+        \FuseWarning{103}{171}%

+          {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{A}%

+      \else\if\@@tmpa c\relax%

+        \putlratom{-171}{171}{\@@tmpb}%      % bond fused

+        \FuseWarning{-103}{171}%

+          {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{c}%

+      \else\if\@@tmpa C\relax%

+        \putlratom{-68}{0}{\@@tmpb}%    % bond fused

+        \FuseWarning{103}{-171}%

+          {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{C}%

+\fi\fi\fi\fi\fi\fi%

+}% end of the macro \set@fusion@threev

+%    \end{macrocode}

+% \end{macro}

+%

+% \subsection{Inverse vertical type}

+% \subsubsection{Sloped bonds}

+%

+% \changes{v1.02}{1998/10/20}{Newly added commands: 

+% \cs{Bondtria}}

+% \begin{macro}{\Bondtria}

+%    \begin{macrocode}

+% **********************

+% * bonds for triangle *

+% **********************

+%

+%   aaa /1` <===== the original point

+%      /    `   

+% eee 3--------2ccc

+% bond between 1 and 2

+ \def\Bondtria{%

+  \ifx\aaa\empty%

+   \ifx\ccc\empty%

+    \put(-6,-42){\line(3,-5){72}}%           %double bond 1-2

+   \else%

+    \put(-6,-42){\line(3,-5){60}}%           %double bond 1-2

+   \fi%

+  \else%

+   \ifx\ccc\empty%

+    \put(6,-62){\line(3,-5){60}}%            %double bond 1-2

+   \else%

+    \put(10,-32){\line(3,-5){60}}%           %double bond 1-2

+   \fi%                                    

+  \fi%

+}%

+%    \end{macrocode}

+% \end{macro}

+%

+% \changes{v1.02}{1998/10/20}{Newly added commands: \cs{Bondtrib}}

+% \begin{macro}{\Bondtrib}

+%    \begin{macrocode}

+% bond between 1 and 3

+ \def\Bondtrib{%

+  \ifx\aaa\empty%

+   \ifx\eee\empty%

+    \put(6,-42){\line(-3,-5){72}}%           %double bond 1-3

+   \else%

+    \put(6,-42){\line(-3,-5){60}}%           %double bond 1-3

+   \fi%

+  \else%

+   \ifx\fff\empty%

+    \put(-6,-62){\line(-3,-5){60}}%          %double bond 1-2

+   \else%

+    \put(6,-42){\line(-3,-5){60}}%           %double bond 1-2

+   \fi%                                    

+  \fi%

+ }%

+%    \end{macrocode}

+% \end{macro}

+%

+% \changes{v1.02}{1998/10/20}{Newly added commands: 

+% \cs{skBondtria}}

+% \begin{macro}{\skBondtria}

+%    \begin{macrocode}

+%bond between 1 and 2

+\def\skBondtria{%

+% \begin{picture}(200,200)(0,0)

+% \begin{picture}(0,0)(0,0)

+  \ifx\aaa\empty%

+    \ifx\ccc\empty%

+     \put(0,0){\line(3,-5){103}}%           %bond 1-2

+    \else%

+     \put(0,0){\line(3,-5){80}}%            %bond 1-2

+    \fi%

+  \else%

+    \ifx\ccc\empty%

+     \put(103,-171){\line(-3,5){80}}%      %bond 1-2

+    \else%

+     \put(35,-21){\line(3,-5){60}}%          %bond 1-2

+    \fi%

+  \fi

+%\end{picture}

+}%

+%    \end{macrocode}

+% \end{macro}

+%

+% \changes{v1.02}{1998/10/20}{Newly added commands: 

+% \cs{skBondtrib}}

+% \begin{macro}{\skBondtrib}

+%    \begin{macrocode}

+%bond between 1 and 3

+\def\skBondtrib{%

+% \begin{picture}(0,0)(0,0)

+% \begin{picture}(200,200)(0,0)

+  \ifx\aaa\empty%

+    \ifx\eee\empty%

+     \put(0,0){\line(-3,-5){103}}%         %bond 1-3

+    \else%

+     \put(0,0){\line(-3,-5){80}}%          %bond 1-3

+    \fi%

+  \else%

+    \ifx\eee\empty%

+     \put(-103,-171){\line(3,5){80}}%     %bond 1-3

+    \else%

+     \put(-35,-21){\line(-3,-5){60}}%       %bond 1-3

+    \fi%

+  \fi

+%\end{picture}

+}%

+%    \end{macrocode}

+% \end{macro}

+%

+% \changes{v2.00}{1998/12/25}{Newly added commands: 

+% \cs{dotskBondtria}}

+% \begin{macro}{\dotskBondtria}

+%    \begin{macrocode}

+%bond between 1 and 2

+\def\dotskBondtria{%

+  \ifx\aaa\empty%

+    \ifx\ccc\empty%

+       \@ifundefined{dottedline}{%

+        \put(0,0){\line(3,-5){103}}%           %bond 1-2

+           }{{\thicklines%

+              \dottedline{20}(0,0)(103,-171)}}%

+    \else%

+       \@ifundefined{dottedline}{%

+        \put(0,0){\line(3,-5){80}}%            %bond 1-2

+           }{{\thicklines%

+              \dottedline{20}(0,0)(80,-133)}}%

+    \fi%

+  \else%

+    \ifx\ccc\empty%

+       \@ifundefined{dottedline}{%

+       \put(103,-171){\line(-3,5){80}}%      %bond 1-2

+           }{{\thicklines%

+              \dottedline{20}(103,-171)(23,-38)}}%

+    \else%

+       \@ifundefined{dottedline}{%

+       \put(35,-21){\line(3,-5){60}}%          %bond 1-2

+           }{{\thicklines%

+              \dottedline{20}(35,-21)(95,-121)}}%

+    \fi%

+  \fi

+}%

+%    \end{macrocode}

+% \end{macro}

+%

+% \changes{v2.00}{1998/12/25}{Newly added commands: 

+% \cs{dotskBondtrib}}

+% \begin{macro}{\dotskBondtrib}

+%    \begin{macrocode}

+%bond between 1 and 3

+\def\dotskBondtrib{%

+  \ifx\aaa\empty%

+    \ifx\eee\empty%

+       \@ifundefined{dottedline}{%

+        \put(0,0){\line(-3,-5){103}}%         %bond 1-3

+           }{{\thicklines%

+              \dottedline{20}(0,0)(-103,-171)}}%

+    \else%

+       \@ifundefined{dottedline}{%

+        \put(0,0){\line(-3,-5){80}}%          %bond 1-3

+           }{{\thicklines%

+              \dottedline{20}(0,0)(-80,-133)}}%

+    \fi%

+  \else%

+    \ifx\eee\empty%

+       \@ifundefined{dottedline}{%

+        \put(-103,-171){\line(3,5){80}}%     %bond 1-3

+           }{{\thicklines%

+              \dottedline{20}(-103,-171)(-23,-38)}}%

+    \else%

+       \@ifundefined{dottedline}{%

+        \put(-35,-21){\line(-3,-5){60}}%       %bond 1-3

+           }{{\thicklines%

+              \dottedline{20}(-35,-21)(-95,-121)}}%

+    \fi%

+  \fi

+}%

+%    \end{macrocode}

+% \end{macro}

+%

+% \subsubsection{Drawing three-membered heterocycles (inverse)}

+%

+% The macro |\threeheteroi| typesets a three-membered ring of 

+% inverse vertical type.  The following numbering is adopted 

+% in this macro. 

+% \changes{v1.02}{1998/10/20}{Newly added commands: 

+% \cs{threeheteroi}}

+%

+% \begin{verbatim}

+% ****************************

+% * thereehetero derivatives *

+% *  (inverse vertical type) *

+% ****************************

+%

+%        /1` <===== the original point

+%    c /     ` a

+%     3--------2

+%         b

+% \end{verbatim}

+%

+% The macro |\threeheteroi| has two arguments |ATOMLIST| and |SUBSLIST| 

+% as well as an optional argument |BONDLIST|.  

+% Two optional arguments |SKBONDLIST| and |OMIT| are added to 

+% treat stereochemical information or other bond situations. 

+%

+% \begin{verbatim}

+%   \threeheteroi(SKBONDLIST)[BONDLIST]{ATOMLIST}{SUBSLIST}[OMIT]

+%   \threeheterovi(SKBONDLIST)[BONDLIST]{ATOMLIST}{SUBSLIST}[OMIT]

+% \end{verbatim}

+%

+% The |SKBONDLIST| argument contains pairs of two alphabets in 

+% parentheses, e.g. (\{bA\}\{fB\}).  Each pair contains a lowercase 

+% character selected from bond specifiers `a' to `c' and a uppercase

+% character `A' or `B'. 

+%

+% The |BONDLIST| argument contains one 

+% character selected from a to c, each of which indicates the presence of 

+% an inner (endcyclic) double bond on the corresponding position. 

+% The option `$n+$' ($n=1$ to $3$) represents a plus charge on a hetero atom 

+% at the $n$-position. 

+% The option `$n+$' ($n=4$ to $6$) represents a plus charge outside the ring. 

+% The option `$0+$' typesets a plus charge at the center of the ring. 

+%

+% \begin{verbatim}

+%     BONDLIST = 

+%

+%           none       :  saturated 

+%           a          :  1,2-double bond

+%           b          :  2,3-double bond

+%           c          :  3,1-double bond

+%           A          :  aromatic circle 

+%           {n+}       :  plus at the n-hetero atom (n = 1 to 3)

+%                      :  n=4 -- outer plus at 1 position

+%                      :  n=5 -- outer plus at 2 position

+%                      :  n=6 -- outer plus at 3 position

+%           {0+}       :  plus at the center of a cyclopropane ring

+% \end{verbatim}

+%

+% The |ATOMLIST| argument contains one or more heteroatom descriptors 

+% which are separated from each other by a semicolon.  Each heteroatom 

+% descriptor consists of a locant number and a heteroatom, 

+% where these are separated with a double equality symbol. 

+%

+% \begin{verbatim}

+%     ATOMLIST: list of heteroatoms (max 3 atoms)

+%

+%       for n = 1 to 3

+%

+%           n          : Hetero atom, e.g. N, O, etc. at n-position, 

+%                        e.g. 1==N for N at 1-position

+% \end{verbatim}

+%

+% The |SUBSLIST| argument contains one or more substitution descriptors 

+% which are separated from each other by a semicolon.  Each substitution 

+% descriptor has a locant number with a bond modifier and a substituent, 

+% where these are separated with a double equality symbol. 

+%

+% \begin{verbatim}

+%     SUBSLIST: list of substituents

+%

+%       for n = 1 to 3 

+%

+%           nD         :  exocyclic double bond at n-atom

+%           n or nS    :  exocyclic single bond at n-atom

+%           nA         :  alpha single bond at n-atom

+%           nB         :  beta single bond at n-atom

+%           nSA        :  alpha single bond at n-atom (boldface)

+%           nSB        :  beta single bond at n-atom (dotted line)

+%           nSa        :  alpha (not specified) single bond at n-atom

+%           nSb        :  beta (not specified) single bond at n-atom

+%

+%           nSd        :  alpha single bond at n-atom (dotted line) 

+%                           with an alternative direction to nSA 

+%           nSu        :  beta single bond at n-atom (boldface) 

+%                           with an alternative direction to nSB 

+%           nFA        :  alpha single bond at n-atom (dotted line) 

+%                           for ring fusion 

+%           nFB        :  beta single bond at n-atom (boldface) 

+%                           for ring fusion 

+%           nGA        :  alpha single bond at n-atom (dotted line) 

+%                           for the other ring fusion 

+%           nGB        :  beta single bond at n-atom (boldface) 

+%                           for the other ring fusion 

+% \end{verbatim}

+%

+% The argument |OMIT| represents one or more bonds to be omitted. 

+% The omitted edges may be regarded as both fused and non-fused 

+% positions. 

+%

+% \begin{verbatim}

+%     OMIT:  one or more bonds omitted (a to c: see BONDLIST)

+% \end{verbatim}

+%

+% Several examples are shown as follows.

+% \begin{verbatim}

+%       e.g. 

+%        

+%        \threeheteroi{1==N}{1==Cl;2==F}

+%        \threeheteroi[c]{1==N}{1==Cl;4==F;2==CH$_{3}$}

+%        \threeheteroi{1==N}{1D==O;4SA==MeO;4SB==OMe;5==Cl;6==Cl}

+% \end{verbatim}

+%

+% The definition of |\threehetero| uses a picture environment and 

+% consists of the same unit processes as shown in |\sixheterov|: 

+% \begin{enumerate}

+% \item treatment of atom list, 

+% \item placing outer skeletons, 

+% \item placing inner double bonds, 

+% \item setting hetero atoms, and 

+% \item placing substituents by using |\setsixringv| partially. 

+% \end{enumerate}

+% \changes{v1.02}{1998/10/31}{Adding \cs{ylposition}, \cs{if@ylsw},

+% \cs{yl@shifti}, \cs{@ylii}, \cs{yl@shiftii}, \cs{@ylii}, 

+% \cs{yl@xdiff} and \cs{yl@ydiff}}

+% \changes{v2.00}{1998/12/5}{Add: spiro and fused rings}

+%

+% \begin{macro}{\threeheteroi}

+% \begin{macro}{\@three@heteroi}

+% \begin{macro}{\@three@@heteroi}

+% \begin{macro}{\@threeheteroi}

+%    \begin{macrocode}

+\def\threeheteroi{\@ifnextchar({\@three@heteroi(@}{\@three@heteroi(@)}}

+\def\@three@heteroi(#1){\@ifnextchar[{\@three@@heteroi(#1)[@}%

+{\@three@@heteroi(#1)[@]}}

+\def\@three@@heteroi(#1)[#2]#3#4{\@ifnextchar[%

+{\@threeheteroi(#1)[#2]{#3}{#4}[@}%

+{\@threeheteroi(#1)[#2]{#3}{#4}[@]}}

+\def\@threeheteroi(#1)[#2]#3#4[#5]{%

+%    \end{macrocode}

+%

+%    \begin{macrocode}

+% %%%%%%%%%%%%%%%%%%%%%%%%%%

+% % treatment of atom list %

+% %%%%%%%%%%%%%%%%%%%%%%%%%%

+\iniatom\iniflag%initialize

+\test@vertix@sixv{#3}{a}{c}{e}{@}{@}{@}%

+% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%

+% % adustment of subs positions %

+% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%

+\@reset@ylsw%

+\ylposition{#4}{0}{0}{2}{0}%subst 1

+\if@ylsw \ifx\@@ylii\empty

+\def\@@ylii{68}\def\@@yli{406}\fi

+\else

+\ylposition{#4}{1}{2}{4}{0}%subst 2

+\fi

+\if@ylsw \ifx\@@ylii\empty

+\def\@@ylii{142}\def\@@yli{275}\fi

+\else

+\ylposition{#4}{2}{4}{6}{0}%subst 3

+\fi

+\if@ylsw \ifx\@@ylii\empty

+\def\@@ylii{0}\def\@@yli{275}\fi

+\fi

+\if@ylsw

+ \yl@shiftii=\@ylii

+ \yl@shifti=\@yli

+ \advance\yl@shiftii\@@ylii

+ \advance\yl@shifti\@@yli

+ \advance\yl@shiftii\yl@xdiff

+ \advance\yl@shifti\yl@ydiff

+ \begin{picture}(0,0)(-\yl@shiftii,-\yl@shifti)

+ \reset@yl@xydiff%1999/1/6 by S. Fujita

+\else

+\begin{picture}(800,580)(-468,-340)%

+  \iforigpt \put(-468,-340){\circle*{50}}%

+           \put(-68,0){\circle{50}}% 

+   \typeout{command `threeheteroi' origin: %

+    (0,0) ---> (-468,-340)}\fi%

+\fi

+%    \end{macrocode}

+%

+%    \begin{macrocode}

+% %%%%%%%%%%%%%%%%%%

+% % outer skeleton %

+% %%%%%%%%%%%%%%%%%%

+{\resetbdsw%

+\@bond@@omit{#5}%

+\put(-68,0){\set@skel@longbond{#1}{a}{skBondtria}}%

+       % bond between 1 and 2 \@aaa -> \skBondtria etc

+\put(0,-275){\set@skel@longbond{#1}{b}{skbondshorizi}}%

+       % bond between 2 and 3 \@bbb -> \skbondb etc

+\put(-68,0){\set@skel@longbond{#1}{c}{skBondtrib}}%

+       % bond between 3 and 1 \@ccc -> \skBondtrib etc

+}%

+%    \end{macrocode}

+%

+%    \begin{macrocode}

+% %%%%%%%%%%%%%%%%%%%%%

+% % inner double bond %

+% %%%%%%%%%%%%%%%%%%%%%

+\@tfor\member:=#2\do{%

+\if\member r\relax%

+\else\if\member a\relax\put(-68,0){\Bondtria}%

+\else\if\member b\relax\put(0,-274){\bondshorizi}%

+\else\if\member c\relax\put(-68,0){\Bondtrib}%

+\else\if\member A\relax% aromatic circle 

+  \put(-70,-108){\circle{100}}%               %circle

+\else

+% %%%%%%%%%%%%%%%%%%%%%%%%%

+% % inner bond attachment %

+% %%%%%%%%%%%%%%%%%%%%%%%%%

+   \expandafter\twoCH@@R\member//%

+    \set@fusionadd@threevi

+\fi\fi\fi\fi\fi%

+}%

+%    \end{macrocode}

+%

+%    \begin{macrocode}

+% %%%%%%%%%%%%%%%%%%%%%%%%

+% % setting hetero atoms %

+% %%%%%%%%%%%%%%%%%%%%%%%%

+\put(-68,-406){\set@hetatom@sixv{#3}{0}{0}{2}{0}%

+\if@aclip\global\@acliptrue\fi

+}%subst 1

+\put(0,-275){\set@hetatom@sixv{#3}{2}{4}{6}{0}%

+\if@eclip\global\@ecliptrue\fi

+}%subst 3

+\put(-142,-275){\set@hetatom@sixv{#3}{1}{2}{4}{0}%

+\if@cclip\global\@ccliptrue\fi

+}%subst 2

+%    \end{macrocode}

+%

+%    \begin{macrocode}

+% %%%%%%%%%%%%%%%%%%%%%%%%

+% % setting substituents %

+% %%%%%%%%%%%%%%%%%%%%%%%%

+\put(-68,-406){\setsixringv{#4}{0}{0}{2}{0}}%subst 1

+\put(0,-275){\setsixringv{#4}{2}{4}{6}{0}}%subst 3

+\put(-142,-275){\setsixringv{#4}{1}{2}{4}{0}}%subst 2

+\end{picture}%

+\iniatom\iniflag}%     %end of \threeheteroi macro

+%    \end{macrocode}

+% \end{macro}

+% \end{macro}

+% \end{macro}

+% \end{macro}

+%

+% \begin{macro}{\threeheterovi}

+%    \begin{macrocode}

+\let\threeheterovi=\threeheteroi

+%    \end{macrocode}

+% \end{macro}

+%

+% The macro |\set@fusionadd@threevi| is an inner command contained 

+% in the definition of |\threeheteroi| etc., where   

+% the macro is used for setting an additive 

+% or a fused ring at each bond (designated by |\@@tmpa|).  The 

+% fused ring is typeset by the inner command |\set@fusion@threevi|. 

+%

+% \begin{macro}{\set@fusionadd@threevi}

+% \changes{v2.00}{1998/12/5}{New command: \cs{set@fusionadd@threevi}}
+%    \begin{macrocode}

+\def\set@fusionadd@threevi{%

+      \if\@@tmpa 0\relax%

+        \putratom{-94}{-120}{\scriptsize\@@tmpb}%      % right type

+      \else\if\@@tmpa 1\relax%

+        \putratom{-94}{-80}{\scriptsize\@@tmpb}%      % right type

+      \else\if\@@tmpa 2\relax%

+        \putratom{-52}{-150}{\scriptsize\@@tmpb}%     % right type

+      \else\if\@@tmpa 3\relax%

+        \putratom{-126}{-150}{\scriptsize\@@tmpb}%    % right type

+      \else\if\@@tmpa 4\relax%

+        \putratom{-30}{0}{\scriptsize\@@tmpb}%      % right type

+      \else\if\@@tmpa 5\relax%

+        \putratom{32}{-130}{\scriptsize\@@tmpb}%      % right type

+      \else\if\@@tmpa 6\relax%

+        \putratom{-230}{-130}{\scriptsize\@@tmpb}%    % right type

+      \else

+% %%%%%%%%%%%%%%%%%%%%%

+% % inner bond fusion %

+% %%%%%%%%%%%%%%%%%%%%%

+        \set@fusion@threevi

+      \fi\fi\fi\fi\fi\fi\fi%

+}% 

+%    \end{macrocode}

+% \end{macro}

+%

+% The inner command |\set@fusion@threevi| is used for typesetting 

+% a fused ring at each bond represented by |\@@tmpa|.  Warnings 

+% concerning mismatched ring-fusions are based on the command 

+% |\FuseWarning|. 

+%

+% \begin{macro}{\set@fusion@threevi}

+% \changes{v2.00}{1998/12/5}{New command: \cs{set@fusion@threevi}}
+%    \begin{macrocode}

+\def\set@fusion@threevi{%

+% %%%%%%%%%%%%%%%%%%%%%

+% % inner bond fusion %

+% %%%%%%%%%%%%%%%%%%%%%

+\if\@@tmpa b\relax%

+        \putlratom{29}{-171}{\@@tmpb}%    % bond fused

+        \FuseWarning{200}{0}%

+          {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{b}%

+  \else\if\@@tmpa B\relax%

+        \putlratom{-171}{-171}{\@@tmpb}%      % bond fused

+        \FuseWarning{-200}{0}%

+          {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{B}%

+  \else\if\@@tmpa a\relax%

+        \putlratom{-68}{0}{\@@tmpb}%    % bond fused

+        \FuseWarning{-103}{171}%

+          {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{a}%

+  \else\if\@@tmpa A\relax%

+        \putlratom{29}{-171}{\@@tmpb}%      % bond fused

+        \FuseWarning{103}{-171}%

+          {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{A}%

+  \else\if\@@tmpa c\relax%

+        \putlratom{-171}{-171}{\@@tmpb}%      % bond fused

+        \FuseWarning{103}{171}%

+          {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{c}%

+  \else\if\@@tmpa C\relax%

+        \putlratom{-68}{0}{\@@tmpb}%    % bond fused

+        \FuseWarning{-103}{-171}%

+          {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{C}%

+\fi\fi\fi\fi\fi\fi%

+}% end of the macro \set@fusion@threevi

+%</hetarom>

+%    \end{macrocode}

+% \end{macro}

+%

+% \Finale

+%

+\endinput

+
\ No newline at end of file
diff --git a/Master/texmf-dist/source/latex/xymtex/hetaromh.drv b/Master/texmf-dist/source/latex/xymtex/hetaromh.drv
new file mode 100644
index 00000000000..fa9b0ae95db
--- /dev/null
+++ b/Master/texmf-dist/source/latex/xymtex/hetaromh.drv
@@ -0,0 +1,83 @@
+%%
+%% This is file `hetaromh.drv',
+%% generated with the docstrip utility.
+%%
+%% The original source files were:
+%%
+%% hetaromh.dtx  (with options: `driver')
+%% 
+%% This is a generated file.
+%% 
+%% Copyright 1996,1998,2000 by Shinsaku Fujita
+%% 
+%% This file is part of the XyMTeX system.
+%% =======================================
+%% 
+%% Version 1.01 Released on August 16, 1996
+%% Version 1.02 Released on October 31, 1996 (private version)
+%% Version 2.00 Released on December 25, 1998
+%% Version 2.00a Released on November 11, 2000
+%% 
+%% Copyright (C) 1996, 1998, 2000 by Shinsaku Fujita, all rights reserved.
+%% This style file is created for drawing chemical structural formulas
+%% This style file is to be contained in the ``xymtex'' directory which
+%% is an input directory for TeX.
+%% 
+%% Copying of this file is authorized only if either
+%% 
+%%  (1) you make absolutely no changes to your copy, including name and
+%%      directory name
+%%  (2) if you do make changes,
+%%      (a) you name it something other than the names included in the
+%%          ``xymtex'' directory and
+%%      (b) you acknowledge the original name.
+%%  This restriction ensures that all standard styles are identical.
+%% 
+%% =======================================
+%% 
+%% This file contains several codes modified from latex.tex (LaTeX2.09)
+%% and from latex.ltx (a LaTeX2e), the reused parts of which are subject to
+%% Copyright 1994 the LaTeX3 project and the individual authors (For further
+%% copyright information see the file legal.txt of the LaTeX2e standard
+%% distribution, and any other copyright indicated in this file.)
+%% 
+%% File: hetaromh.dtx
+%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
+%% \CharacterTable
+%%  {Upper-case    \A\B\C\D\E\F\G\H\I\J\K\L\M\N\O\P\Q\R\S\T\U\V\W\X\Y\Z
+%%   Lower-case    \a\b\c\d\e\f\g\h\i\j\k\l\m\n\o\p\q\r\s\t\u\v\w\x\y\z
+%%   Digits        \0\1\2\3\4\5\6\7\8\9
+%%   Exclamation   \!     Double quote  \"     Hash (number) \#
+%%   Dollar        \$     Percent       \%     Ampersand     \&
+%%   Acute accent  \'     Left paren    \(     Right paren   \)
+%%   Asterisk      \*     Plus          \+     Comma         \,
+%%   Minus         \-     Point         \.     Solidus       \/
+%%   Colon         \:     Semicolon     \;     Less than     \<
+%%   Equals        \=     Greater than  \>     Question mark \?
+%%   Commercial at \@     Left bracket  \[     Backslash     \\
+%%   Right bracket \]     Circumflex    \^     Underscore    \_
+%%   Grave accent  \`     Left brace    \{     Vertical bar  \|
+%%   Right brace   \}     Tilde         \~}
+\NeedsTeXFormat{pLaTeX2e}
+\ProvidesFile{hetaromh.dtx}[1998/12/25 v2.00 XyMTeX{} package file]
+\documentclass{ltxdoc}
+\GetFileInfo{hetaromh.dtx}
+\def\UPSILON{\char'7}
+\def\XyM{X\kern-.30em\smash{%
+\raise.50ex\hbox{\UPSILON}}\kern-.30em{M}}
+\def\XyMTeX{\XyM\kern-.1em\TeX}
+\title{Heterocycles of horizontal type by {\sffamily hetaromh.sty}
+(\fileversion) of \XyMTeX{}}
+\author{Shinsaku Fujita \\
+Department of Chemistry and Materials Technology, \\
+Kyoto Institute of Technology, \\
+Matsugasaki, Sakyoku, Kyoto, 606-8585 Japan
+}
+\date{\filedate}
+\begin{document}
+   \maketitle
+   \DocInput{hetaromh.dtx}
+\end{document}
+\endinput
+%%
+%% End of file `hetaromh.drv'.
diff --git a/Master/texmf-dist/source/latex/xymtex/hetaromh.dtx b/Master/texmf-dist/source/latex/xymtex/hetaromh.dtx
new file mode 100644
index 00000000000..c90896bf019
--- /dev/null
+++ b/Master/texmf-dist/source/latex/xymtex/hetaromh.dtx
@@ -0,0 +1,6700 @@
+% \iffalse meta-comment

+%% File: hetaromh.dtx

+%

+%  Copyright 1993,1996,1998,2000 by Shinsaku Fujita

+%

+%  This file is part of XyMTeX system.

+%  -------------------------------------

+%

+% This file is a successor to:

+%

+% hetaromh.sty

+%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%

+%\typeout{XyMTeX for Drawing Chemical Structural Formulas. Version 1.00}

+%\typeout{       -- Released December 1, 1993 by Shinsaku Fujita}

+% Copyright (C) 1993 by Shinsaku Fujita, all rights reserved.

+%

+% This file is a part of the macro package ``XyMTeX'' which has been 

+% designed for typesetting chemical structural formulas.

+%

+% This file is to be contained in the ``xymtex'' directory which is 

+% an input directory for TeX. It is a LaTeX optional style file and 

+% should be used only within LaTeX, because several macros of the file 

+% are based on LaTeX commands. 

+%

+% For the review of XyMTeX, see

+%  (1)  Shinsaku Fujita, ``Typesetting structural formulas with the text

+%    formatter TeX/LaTeX'', Computers and Chemistry, in press.    

+% The following book deals with an application of TeX/LaTeX to 

+% preparation of manuscripts of chemical fields:

+%  (2)  Shinsaku Fujita, ``LaTeX for Chemists and Biochemists'' 

+%    Tokyo Kagaku Dozin, Tokyo (1993) [in Japanese].  

+%

+% Copying of this file is authorized only if either

+%  (1) you make absolutely no changes to your copy, including name and 

+%     directory name; or

+%  (2) if you do make changes, 

+%     (a) you name it something other than the names included in the 

+%         ``xymtex'' directory and 

+%     (b) you are requested to leave this notice intact.

+% This restriction ensures that all standard styles are identical.

+%

+% Please report any bugs, comments, suggestions, etc. to:

+%   Shinsaku Fujita, 

+%   Ashigara Research Laboratories, Fuji Photo Film Co., Ltd., 

+%   Minami-Ashigara, Kanagawa-ken, 250-01, Japan.

+%

+% New address:

+%   Shinsaku Fujita, 

+%   Department of Chemistry and Materials Technology, 

+%   Kyoto Institute of Technology, \\

+%   Matsugasaki, Sakyoku, Kyoto, 606 Japan

+% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%

+% \def\j@urnalname{hetaromh}

+% \def\versi@ndate{December 01, 1993}

+% \def\versi@nno{ver1.00}

+% \def\copyrighth@lder{SF} % Shinsaku Fujita

+% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%

+% \def\j@urnalname{hetaromh}

+% \def\versi@ndate{August 16, 1996}

+% \def\versi@nno{ver1.01}

+% \def\copyrighth@lder{SF} % Shinsaku Fujita

+% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%

+% \def\j@urnalname{hetaromh}

+% \def\versi@ndate{October 31, 1998}

+% \def\versi@nno{ver1.02}

+% \def\copyrighth@lder{SF} % Shinsaku Fujita

+% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%

+% \def\j@urnalname{hetaromh}

+% \def\versi@ndate{December 25, 1998}

+% \def\versi@nno{ver2.00}

+% \def\copyrighth@lder{SF} % Shinsaku Fujita

+% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%

+%

+% \fi

+%

+% \CheckSum{5947}

+%% \CharacterTable

+%%  {Upper-case    \A\B\C\D\E\F\G\H\I\J\K\L\M\N\O\P\Q\R\S\T\U\V\W\X\Y\Z

+%%   Lower-case    \a\b\c\d\e\f\g\h\i\j\k\l\m\n\o\p\q\r\s\t\u\v\w\x\y\z

+%%   Digits        \0\1\2\3\4\5\6\7\8\9

+%%   Exclamation   \!     Double quote  \"     Hash (number) \#

+%%   Dollar        \$     Percent       \%     Ampersand     \&

+%%   Acute accent  \'     Left paren    \(     Right paren   \)

+%%   Asterisk      \*     Plus          \+     Comma         \,

+%%   Minus         \-     Point         \.     Solidus       \/

+%%   Colon         \:     Semicolon     \;     Less than     \<

+%%   Equals        \=     Greater than  \>     Question mark \?

+%%   Commercial at \@     Left bracket  \[     Backslash     \\

+%%   Right bracket \]     Circumflex    \^     Underscore    \_

+%%   Grave accent  \`     Left brace    \{     Vertical bar  \|

+%%   Right brace   \}     Tilde         \~}

+%

+% \setcounter{StandardModuleDepth}{1}

+%

+% \StopEventually{}

+% \MakeShortVerb{\|}

+%

+% \iffalse

+% \changes{v1.01}{1996/06/26}{first edition for LaTeX2e}

+% \changes{v1.02}{1998/10/31}{revised edition for LaTeX2e}

+% \changes{v2.00}{1998/12/25}{enhanced edition for LaTeX2e}

+% \changes{v2.00a}{2000/11/11}{bug fix}

+% \fi

+%

+% \iffalse

+%<*driver>

+\NeedsTeXFormat{pLaTeX2e}

+% \fi

+\ProvidesFile{hetaromh.dtx}[1998/12/25 v2.00 XyMTeX{} package file]

+% \iffalse

+\documentclass{ltxdoc}

+\GetFileInfo{hetaromh.dtx}

+%

+% %%XyMTeX Logo: Definition 2%%%

+\def\UPSILON{\char'7}

+\def\XyM{X\kern-.30em\smash{%

+\raise.50ex\hbox{\UPSILON}}\kern-.30em{M}}

+\def\XyMTeX{\XyM\kern-.1em\TeX}

+% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%

+\title{Heterocycles of horizontal type by {\sffamily hetaromh.sty} 

+(\fileversion) of \XyMTeX{}}

+\author{Shinsaku Fujita \\ 

+Department of Chemistry and Materials Technology, \\

+Kyoto Institute of Technology, \\

+Matsugasaki, Sakyoku, Kyoto, 606-8585 Japan

+% % (old address)

+% % Ashigara Research Laboratories, 

+% % Fuji Photo Film Co., Ltd., \\ 

+% % Minami-Ashigara, Kanagawa, 250-01 Japan

+}

+\date{\filedate}

+%

+\begin{document}

+   \maketitle

+   \DocInput{hetaromh.dtx}

+\end{document}

+%</driver>

+% \fi

+%

+% \section{Introduction}\label{hetaromh:intro}

+%

+% \subsection{Options for {\sffamily docstrip}}

+%

+% \DeleteShortVerb{\|}

+% \begin{center}

+% \begin{tabular}{|l|l|}

+% \hline

+% \emph{option} & \emph{function}\\ \hline

+% hetaromh & hetaromh.sty \\

+% driver & driver for this dtx file \\

+% \hline

+% \end{tabular}

+% \end{center}

+% \MakeShortVerb{\|}

+%

+% \subsection{Version Information}

+%

+%    \begin{macrocode}

+%<*hetaromh>

+\typeout{XyMTeX for Drawing Chemical Structural Formulas. Version 2.00}

+\typeout{       -- Released December 25, 1998 by Shinsaku Fujita}

+% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%

+\def\j@urnalname{hetaromh}

+\def\versi@ndate{November 11, 2000}

+\def\versi@nno{ver2.00a}

+\def\copyrighth@lder{SF} % Shinsaku Fujita

+% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%

+\typeout{XyMTeX Macro File `\j@urnalname' (\versi@nno) <\versi@ndate>%

+\space[\copyrighth@lder]}

+%    \end{macrocode}

+%

+% \section{List of commands for hetaromh.sty}

+%

+% \begin{verbatim}

+%

+% **********************************

+% * hetaromh.sty: list of commands *

+% **********************************

+%

+% <Conventions for bond-setting>

+%

+%     \hbonda

+%     \hbondf

+%     \hbondb

+%     \hbondc

+%     \hbondd

+%     \hbonde

+%     \hbondvert

+%     \hbondverti

+%

+%     \hskbonda

+%     \hskbondf

+%     \hskbondc

+%     \hskbondd

+%     \hskbondb

+%     \hskbonde

+%     \hskbondvert

+%     \hskbondverti

+%

+%     \dothskbonda

+%     \dothskbondf

+%     \dothskbondc

+%     \dothskbondd

+%     \dothskbondb

+%     \dothskbonde

+%     \dothskbondvert

+%     \dothskbondverti

+% \end{verbatim}

+%

+% \begin{verbatim}

+%

+%  <Six-membered heterocycles (horizontal)>

+%

+%    Basic Macros

+%

+%     \sixheteroh                \@sixheteroh

+%     \sixheterohi               \@sixheterohi

+%

+%    Application Macros

+%

+%     \pyridineh                 \@pyridineh

+%     \pyridinehi                \@pyridinehi

+%     \pyrazineh                 \@pyrazineh

+%     \pyrimidineh               \@pyrimidineh

+%     \pyrimidinehi              \@pyrimidinehi

+%     \pyridazineh               \@pyridazineh

+%     \pyridazinehi              \@pyridazinehi

+%     \triazineh                 \@triazineh

+%     \triazinehi                \@triazinehi

+% \end{verbatim}

+%

+% \begin{verbatim}

+%

+%  <Five-membered heterocycles (horizontal)>

+%

+%    Basic Macros

+%

+%     \fiveheteroh               \@fiveheteroh

+%     \fiveheterohi              \@fiveheterohi

+%

+%    Application Macros

+%

+%     \pyrroleh                  \@pyrroleh

+%     \pyrazoleh                 \@pyrazoleh

+%     \imidazoleh                \@imidazoleh

+%     \isoxazoleh                \@isoxazoleh

+%     \oxazoleh                  \@oxazoleh

+%

+%     \furanh                    \@furanh

+%     \thiopheneh                \@thiopheneh

+%

+%     \pyrrolehi                 \@pyrrolehi

+%     \pyrazolehi                \@pyrazolehi

+%     \imidazolehi               \@imidazolehi

+%     \isoxazolehi               \@isoxazolehi

+%     \oxazolehi                 \@oxazolehi

+%

+%     \furanhi                   \@furanhi

+%     \thiophenehi               \@thiophenehi

+%

+% \end{verbatim}

+%

+% \begin{verbatim}

+%

+%  <Six-Six fused heterocycles (horizontal)>

+%

+%    Basic Macros

+%

+%     \decaheteroh               \@decaheteroh

+%     \decaheterohi              \@decaheterohi

+%

+%    Application Macros

+%

+%     \quinolineh                \@quinolineh

+%     \quinolinehi               \@quinolinehi

+%     \isoquinolineh             \@isoquinolineh

+%     \isoquinolinehi            \@isoquinolinehi

+%     \quinoxalineh              \@quinoxalineh

+%     \quinazolineh              \@quinazolineh

+%     \quinazolinehi             \@quinazolinehi

+%     \cinnolineh                \@cinnolineh

+%     \cinnolinehi               \@cinnolinehi

+%     \pteridineh                \@pteridineh

+%     \pteridinehi               \@pteridinehi

+% \end{verbatim}

+%

+% \begin{verbatim}

+%

+%  <Six-Five fused heterocycles (horizontal)>

+%

+%    Basic Macros

+%

+%     \nonaheteroh               \@nonaheteroh

+%     \nonaheterohi              \@nonaheterohi

+%

+%    Application Macros

+%

+%     \purineh                   \@purineh

+%     \purinehi                  \@purinehi

+%     \indoleh                   \@indoleh

+%     \indolehi                  \@indolehi

+%     \indolizineh               \@indolizineh

+%     \indolizinehi              \@indolizinehi

+%     \isoindoleh                \@isoindoleh

+%     \isoindolehi               \@isoindolehi

+%     \benzofuraneh              \@benzofuraneh

+%     \benzofuranehi             \@benzofuranehi

+%     \isobenzofuraneh           \@isobenzofuraneh

+%     \isobenzofuranehi          \@isobenzofuranehi

+%     \benzoxazoleh              \@benzoxazoleh

+%     \benzoxazolehi             \@benzoxazolehi

+% \end{verbatim}

+%

+% \begin{verbatim}

+%

+%   <Building units>

+%

+%     \sixunith                  \@sixunith

+%     \fiveunith                 \@fiveunith

+%     \fiveunithi                \@fiveunithi

+% \end{verbatim}

+%

+% \begin{verbatim}

+%

+%   <Three-membered rings>

+%

+%     \threeheteroh              \@threeheteroh

+%     \threeheterohi             \@threeheterohi

+% \end{verbatim}

+%

+% \section{Input of basic macros}

+%

+% To assure the compatibility to \LaTeX{}2.09 (the native mode), 

+% the commands added by \LaTeXe{} have not been used in the resulting sty 

+% files ({\sf hetaromh.sty} for the present case).  Hence, the combination 

+% of |\input| and |\@ifundefined| is used to crossload sty 

+% files ({\sf chemstr.sty} for the present case) in place of the 

+% |\RequirePackage| command of \LaTeXe{}. 

+%

+%    \begin{macrocode}

+% *************************

+% * input of basic macros *

+% *************************

+\@ifundefined{setsixringv}{\input chemstr.sty\relax}{}%

+\@ifundefined{test@vertix@decavi}{\input hetarom.sty\relax}{}%

+\unitlength=0.1pt%

+%    \end{macrocode}

+%

+% \section{Various switches}

+%

+% These control sequences have been commented out, since they are 

+% defined elsewhere. 

+%

+%    \begin{macrocode}

+% % ****************************

+% % * various flags (switches) *

+% % ****************************

+% \newif\if@gclip \@gclipfalse%

+% \newif\if@hclip \@hclipfalse%

+% \newif\if@iclip \@iclipfalse%

+% \newif\if@jclip \@jclipfalse%

+% \def\iniflag{%

+% \@aclipfalse \@bclipfalse\@cclipfalse\@clipfalse\@eclipfalse%

+% \@fclipfalse\@gclipfalse\@hclipfalse\@iclipfalse\@jclipfalse%

+% \@clipfusefalse}%

+% \def\iniatom{%

+% \def\aaa{}\def\bbb{}\def\ccc{}\def\ddd{}\def\eee{}\def\fff{}%

+% \def\ggg{}\def\hhh{}\def\iii{}\def\jjj{}%

+% \def\@aaa{}\def\@bbb{}\def\@ccc{}\def\@ddd{}\def\@eee{}\def\@fff{}%

+% }%

+% \def\resetbdsw{\gdef\@aaa{a}\gdef\@bbb{b}\gdef\@ccc{c}%

+% \gdef\@ddd{d}\gdef\@eee{e}\gdef\@fff{f}}%

+%

+\iniatom%

+%    \end{macrocode}

+%

+% \section{Macros for setting bonds}

+% \subsection{Inner double bonds}

+% 

+% The macros |\sixheteroh| and |\fiveheteroh| use internal macros for setting 

+% inner double bonds in accordance with the presence or the absence of 

+% hetero atoms.  During the processes of such setting,  

+% the inner macros |\hbonda| to |\hbondf| are used to set a bond 

+% on each edge of a six- or five-membered ring; and 

+% the inner macros |\hbondvert| and |\hbondverti| draw vertical bonds 

+% of a five-membered ring. 

+% 

+% Note that 

+% comments (conerning locant numbers) on the end of each row have 

+% lost the exact meaning, 

+% since such a command moiety is used in many macros after copying. 

+%

+% \begin{verbatim}

+% ******************************

+% * setting inner double bonds *

+% ******************************

+%

+%                                   b

+%                          (bbb) 2      3  (ccc)

+%                            a    -----    c

+%                               *       *

+%   the original point ===> 1 * (aaa)     * 4  (ddd)

+%          (0,0)                *       *  c

+%                            f    -----

+%                          (fff) 6      5  (eee)

+%                                   e

+% \end{verbatim}

+%

+% \begin{macro}{\hbonda}

+% The macro |\hbonda| refers to the control sequences representing 

+% atoms on both of the terminal vertices (|\aaa| and |\bbb|) and 

+% examine whether these are empty or not.  Thereby, 

+% it decides the vertices to be truncated. 

+%

+%    \begin{macrocode}

+% bond between 1 and 2

+\def\hbonda{%

+  \ifx\aaa\empty%

+   \ifx\bbb\empty%

+     \put(42,6){\line(3,5){78}}%           %double bond 1-2

+   \else%

+     \put(42,6){\line(3,5){62}}%           %double bond 1-2

+   \fi%

+  \else%

+   \ifx\bbb\empty%

+     \put(57,36){\line(3,5){62}}%          %double bond 1-2

+   \else%

+     \put(57,36){\line(3,5){62}}%          %double bond 1-2

+   \fi\fi}%

+%    \end{macrocode}

+% \end{macro}

+%

+% \begin{macro}{\hbondf}

+% The macro |\hbondf| refers to the control sequences representing 

+% atoms on both of the terminal vertices (|\aaa| and |\fff|) and 

+% examine whether these are empty or not.  Thereby, 

+% it decides the vertices to be truncated. 

+%

+%    \begin{macrocode}

+% bond between 1 and 6

+\def\hbondf{%

+  \ifx\aaa\empty%

+   \ifx\fff\empty%

+    \put(42,-6){\line(3,-5){78}}%          %double bond 1-6

+   \else%

+     \put(42,-6){\line(3,-5){62}}%         %double bond 1-6

+   \fi%

+  \else%

+   \ifx\fff\empty%

+     \put(57,-36){\line(3,-5){62}}%        %double bond 1-6

+   \else%

+     \put(57,-36){\line(3,-5){62}}%        %double bond 1-6

+   \fi\fi}%

+%    \end{macrocode}

+% \end{macro}

+%

+% \begin{macro}{\hbondb}

+% The macro |\hbondf| refers to the control sequences representing 

+% atoms on both of the terminal vertices (|\bbb| and |\ccc|) and 

+% examine whether these are empty or not.  Thereby, 

+% it decides the vertices to be truncated. 

+%

+%    \begin{macrocode}

+% bond between 3 and 2

+ \def\hbondb{%

+  \ifx\bbb\empty%

+   \ifx\ccc\empty%

+    \put(129,138){\line(1,0){148}}%        %double bond 2-3

+   \else%

+    \put(129,138){\line(1,0){134}}%        %double bond 3-2

+   \fi%

+  \else%

+   \ifx\ccc\empty%

+    \put(143,138){\line(1,0){134}}%        %double bond 3-2

+   \else%

+    \put(143,138){\line(1,0){110}}%        %double bond 3-2

+   \fi\fi}%

+%    \end{macrocode}

+% \end{macro}

+%

+% \begin{macro}{\hbondc}

+% The macro |\hbondc| refers to the control sequences representing 

+% atoms on both of the terminal vertices (|\ddd| and |\ccc|) and 

+% examine whether these are empty or not.  Thereby, 

+% it decides the vertices to be truncated. 

+%

+%    \begin{macrocode}

+% bond between 4 and 3

+ \def\hbondc{%

+  \ifx\ddd\empty%

+   \ifx\ccc\empty%

+    \put(364,6){\line(-3,5){78}}%          %double bond 4-3

+   \else%

+    \put(364,6){\line(-3,5){62}}%          %double bond 4-3

+   \fi%

+  \else%

+   \ifx\ccc\empty%

+    \put(349,36){\line(-3,5){62}}%         %double bond 4-3

+   \else%

+    \put(349,36){\line(-3,5){62}}%         %double bond 4-3

+   \fi\fi}%

+%    \end{macrocode}

+% \end{macro}

+%

+% \begin{macro}{\hbondd}

+% The macro |\hbondf| refers to the control sequences representing 

+% atoms on both of the terminal vertices (|\ddd| and |\eee|) and 

+% examine whether these are empty or not.  Thereby, 

+% it decides the vertices to be truncated. 

+%

+%    \begin{macrocode}

+% bond between 4 and 5

+ \def\hbondd{%

+  \ifx\ddd\empty%

+   \ifx\eee\empty%

+    \put(364,-6){\line(-3,-5){78}}%        %double bond 4-5

+   \else%

+    \put(364,-6){\line(-3,-5){62}}%        %double bond 4-5

+   \fi%

+  \else%

+   \ifx\eee\empty%

+    \put(349,-36){\line(-3,-5){62}}%       %double bond 4-5

+   \else%

+    \put(349,-36){\line(-3,-5){62}}%       %double bond 4-5

+   \fi\fi}%

+%    \end{macrocode}

+% \end{macro}

+%

+% \begin{macro}{\hbonde}

+% The macro |\hbonde| refers to the control sequences representing 

+% atoms on both of the terminal vertices (|\fff| and |\eee|) and 

+% examine whether these are empty or not.  Thereby, 

+% it decides the vertices to be truncated. 

+%

+%    \begin{macrocode}

+% bond between 5 and 6

+\def\hbonde{%

+  \ifx\fff\empty%

+   \ifx\eee\empty%

+    \put(129,-138){\line(1,0){148}}%       %double bond 6-5

+   \else%

+    \put(129,-138){\line(1,0){134}}%       %double bond 5-6

+   \fi%

+  \else%

+   \ifx\eee\empty%

+    \put(143,-138){\line(1,0){134}}%       %double bond 5-6

+   \else%

+    \put(143,-138){\line(1,0){110}}%       %double bond 5-6

+   \fi\fi}%

+%    \end{macrocode}

+% \end{macro}

+%

+% \begin{macro}{\hbondvert}

+% The macro |\hbondvert| refers to the control sequences representing 

+% atoms on both of the terminal vertices (|\fff| and |\bbb|) and 

+% examine whether these are empty or not.  Thereby, 

+% it decides the vertices to be truncated. 

+%

+%    \begin{macrocode}

+% vertical inner bond for five-membered rings

+\def\hbondvert{%

+  \ifx\fff\empty%

+    \ifx\bbb\empty%

+     \put(136,-138){\line(0,1){277}}%      %double bond 4-3

+    \else%

+     \put(136,-138){\line(0,1){258}}%      %double bond 4-3

+    \fi%

+  \else%

+    \ifx\bbb\empty%

+     \put(136,-120){\line(0,1){258}}%      %double bond 4-3

+    \else

+     \put(136,-120){\line(0,1){239}}%      %double bond 4-3

+    \fi\fi}%

+%    \end{macrocode}

+% \end{macro}

+%

+% \begin{macro}{\hbondverti}

+% The macro |\hbondverti| refers to the control sequences representing 

+% atoms on both of the terminal vertices (|\ccc| and |\eee|) and 

+% examine whether these are empty or not.  Thereby, 

+% it decides the vertices to be truncated. 

+%

+%    \begin{macrocode}

+% horizontal inner bond for five-membered rings (inverse type) 

+\def\hbondverti{%

+  \ifx\eee\empty%

+    \ifx\ccc\empty%

+     \put(270,-138){\line(0,0){277}}%      %double bond 4-3

+    \else%

+     \put(270,-138){\line(0,1){258}}%      %double bond 4-3

+    \fi%

+  \else%

+    \ifx\ccc\empty%

+     \put(270,-120){\line(0,1){258}}%      %double bond 4-3

+    \else%

+     \put(270,-120){\line(0,1){239}}%      %double bond 4-3

+    \fi\fi}%

+%    \end{macrocode}

+% \end{macro}

+%

+% \subsection{Skeletal bonds}

+% 

+% The macros |\sixheteroh| and |\fiveheteroh| use inner macros for setting 

+% skeletal bonds in accordance with the presence or the absence of 

+% hetero atoms.  During the processes of such setting,  

+% the inner macros |\skbonda| to |\skbondf| are used to set a bond 

+% on each edge of a six- or five-membered ring; and 

+% the inner macros |\hskibondverti| to |\hskibondverti| draw vertical bonds 

+% of a five-membered ring. 

+%

+% \begin{verbatim}

+% ********************************************

+% * setting skeletal bonds (horizontal type) *

+% ********************************************

+% The following numbering is adopted in this macro. 

+%

+%                                   b

+%                          (bbb) 2      3  (ccc)

+%                            a    -----    c

+%                               *       *

+%   the original point ===> 1 * (aaa)     * 4  (ddd)

+%          (0,0)                *       *  d

+%                            f    -----

+%                          (fff) 6      5  (eee)

+%                                   e

+% \end{verbatim}

+%

+% \begin{macro}{\hskbonda}

+% The macro |\hskbonda| refers to the control sequences representing 

+% atoms on both of the terminal vertices (|\aaa| and |\bbb|) and 

+% examine whether these are empty or not.  Thereby, 

+% it decides the vertices to be truncated. 

+%

+%    \begin{macrocode}

+%bond between 1 and 2

+\def\hskbonda{%

+  \ifx\aaa\empty%

+    \ifx\bbb\empty%

+     \put(0,0){\line(3,5){103}}%           %bond 1-2

+    \else%

+     \put(0,0){\line(3,5){79}}%            %bond 1-2

+    \fi%

+   \else%

+    \ifx\bbb\empty%

+     \put(24,40){\line(3,5){79}}%          %bond 1-2

+    \else%

+     \put(24,40){\line(3,5){62}}%          %bond 1-2

+    \fi\fi}%

+%    \end{macrocode}

+% \end{macro} 

+%

+% \begin{macro}{\hskbondf}

+% The macro |\hskbondf| refers to the control sequences representing 

+% atoms on both of the terminal vertices (|\aaa| and |\fff|) and 

+% examine whether these are empty or not.  Thereby, 

+% it decides the vertices to be truncated. 

+%

+%    \begin{macrocode}

+%bond between 1 and 6

+\def\hskbondf{%

+  \ifx\aaa\empty%

+    \ifx\fff\empty

+     \put(0,0){\line(3,-5){103}}%          %bond 1-6

+    \else%

+     \put(0,0){\line(3,-5){79}}%           %bond 1-6

+    \fi%

+   \else%

+    \ifx\fff\empty%

+     \put(24,-40){\line(3,-5){79}}%        %bond 1-6

+    \else%

+     \put(24,-40){\line(3,-5){62}}%        %bond 1-6

+    \fi\fi}%

+%    \end{macrocode}

+% \end{macro} 

+%

+% \begin{macro}{\hskbondc}

+% The macro |\hskbondc| refers to the control sequences representing 

+% atoms on both of the terminal vertices (|\ddd| and |\ccc|) and 

+% examine whether these are empty or not.  Thereby, 

+% it decides the vertices to be truncated. 

+%

+%    \begin{macrocode}

+%bond between 4 and 3

+\def\hskbondc{%

+  \ifx\ddd\empty%

+    \ifx\ccc\empty%

+    \put(406,0){\line(-3,5){103}}%         %bond 4-3

+    \else%

+     \put(406,0){\line(-3,5){79}}%         %bond 4-3

+    \fi%

+  \else%

+    \ifx\ccc\empty%

+     \put(382,40){\line(-3,5){79}}%        %bond 4-3

+    \else%

+     \put(382,40){\line(-3,5){62}}%        %bond 4-3

+    \fi\fi}%

+%    \end{macrocode}

+% \end{macro} 

+%

+% \begin{macro}{\hskbondd}

+% The macro |\hskbondd| refers to the control sequences representing 

+% atoms on both of the terminal vertices (|\ddd| and |\eee|) and 

+% examine whether these are empty or not.  Thereby, 

+% it decides the vertices to be truncated. 

+%

+%    \begin{macrocode}

+%bond between 4 and 5

+\def\hskbondd{%

+  \ifx\ddd\empty%

+    \ifx\eee\empty%

+     \put(406,0){\line(-3,-5){103}}%       %bond 4-5

+    \else%

+     \put(406,0){\line(-3,-5){79}}%        %bond 4-5

+    \fi%

+  \else%

+    \ifx\eee\empty%

+     \put(382,-40){\line(-3,-5){79}}%      %bond 4-5

+    \else%

+     \put(382,-40){\line(-3,-5){62}}%      %bond 4-5

+    \fi\fi}%

+%    \end{macrocode}

+% \end{macro} 

+%

+% \begin{macro}{\hskbondb}

+% The macro |\hskbondb| refers to the control sequences representing 

+% atoms on both of the terminal vertices (|\bbb| and |\ccc|) and 

+% examine whether these are empty or not.  Thereby, 

+% it decides the vertices to be truncated. 

+%

+%    \begin{macrocode}

+%bond between 3 and 2

+\def\hskbondb{%

+  \ifx\bbb\empty%

+    \ifx\ccc\empty%

+     \put(103,171){\line(1,0){200}}%       %bond 2-3

+    \else%

+     \put(103,171){\line(1,0){160}}%       %bond 3-2

+    \fi%

+  \else%

+    \ifx\ccc\empty%

+     \put(143,171){\line(1,0){160}}%       %bond 3-2

+    \else%

+     \put(143,171){\line(1,0){120}}%       %bond 3-2

+    \fi\fi}%

+%    \end{macrocode}

+% \end{macro} 

+%

+% \begin{macro}{\hskbonde}

+% The macro |\hskbonde| refers to the control sequences representing 

+% atoms on both of the terminal vertices (|\eee| and |\fff|) and 

+% examine whether these are empty or not.  Thereby, 

+% it decides the vertices to be truncated. 

+%

+%    \begin{macrocode}

+%bond between 5 and 6

+\def\hskbonde{%

+  \ifx\eee\empty%

+    \ifx\fff\empty%

+     \put(103,-171){\line(1,0){200}}%      %bond 6-5

+    \else%

+     \put(143,-171){\line(1,0){160}}%      %bond 5-6

+    \fi%

+  \else%

+    \ifx\fff\empty%

+     \put(103,-171){\line(1,0){160}}%      %bond 5-6

+    \else%

+     \put(143,-171){\line(1,0){120}}%      %bond 5-6

+    \fi\fi}%

+%    \end{macrocode}

+% \end{macro} 

+%

+% \begin{macro}{\hskbondvert}

+% The macro |\hskbondvert| refers to the control sequences representing 

+% atoms on both of the terminal vertices (|\bbb| and |\fff|) and 

+% examine whether these are empty or not.  Thereby, 

+% it decides the vertices to be truncated. 

+%

+%    \begin{macrocode}

+%vertical bond for five-membered rings

+\def\hskbondvert{%

+  \ifx\fff\empty%

+    \ifx\bbb\empty%

+     \put(103,-171){\line(0,1){342}}%      %bond 4-3

+    \else%

+     \put(103,-171){\line(0,1){300}}%      %bond 4-3

+    \fi%

+  \else%

+    \ifx\bbb\empty%

+     \put(103,171){\line(0,-1){300}}%      %bond 4-3

+    \else%

+     \put(103,-129){\line(0,1){258}}%      %bond 4-3

+    \fi\fi}%

+%    \end{macrocode}

+% \end{macro} 

+%

+% \begin{macro}{\hskbondverti}

+% The macro |\hskbondverti| refers to the control sequences representing 

+% atoms on both of the terminal vertices (|\eee| and |\ccc|) and 

+% examine whether these are empty or not.  Thereby, 

+% it decides the vertices to be truncated. 

+%

+%    \begin{macrocode}

+%vertical bond for five-membered rings (inverse type)

+\def\hskbondverti{%

+  \ifx\eee\empty%

+    \ifx\ccc\empty%

+     \put(303,-171){\line(0,1){342}}%      %bond 4-3

+    \else%

+     \put(303,-171){\line(0,1){300}}%      %bond 4-3

+    \fi%

+  \else%

+    \ifx\ccc\empty%

+     \put(303,171){\line(0,-1){300}}%      %bond 4-3

+    \else%

+     \put(303,-129){\line(0,1){258}}%      %bond 4-3

+    \fi\fi}%

+%    \end{macrocode}

+% \end{macro} 

+%

+% \subsection{Dotted Skeletal Bonds}

+% 

+% The macros |\sixfuseh| etc. use inner macros for setting 

+% skeletal bonds in accordance with the presence or the absence of 

+% hetero atoms.  During the processes of such setting,  

+% the inner macros |\dothskbonda| to |\dothskbondf| are used 

+% to set a dotted bond on each edge of a six- or five-membered ring.  

+%

+% \begin{macro}{\dothskbonda}

+% The macro |\dothskbonda| is the dotted counterpart of |\hskbonda|,

+% which refers to the control sequences representing 

+% atoms on both of the terminal vertices (|\aaa| and |\bbb|) and 

+% examine whether these are empty or not.  Thereby, 

+% it decides the vertices to be truncated. 

+%

+%    \begin{macrocode}

+%bond between 1 and 2

+\def\dothskbonda{%

+  \ifx\aaa\empty%

+    \ifx\bbb\empty%

+       \@ifundefined{dottedline}{%

+         \put(0,0){\line(3,5){103}}%           %bond 1-2

+           }{{\thicklines%

+              \dottedline{20}(0,0)(103,171)}}%

+    \else%

+       \@ifundefined{dottedline}{%

+         \put(0,0){\line(3,5){79}}%            %bond 1-2

+           }{{\thicklines%

+              \dottedline{20}(0,0)(79,132)}}%

+    \fi%

+   \else%

+    \ifx\bbb\empty%

+       \@ifundefined{dottedline}{%

+         \put(24,40){\line(3,5){79}}%          %bond 1-2

+           }{{\thicklines%

+              \dottedline{20}(24,40)(103,171)}}%

+    \else%

+       \@ifundefined{dottedline}{%

+         \put(24,40){\line(3,5){62}}%          %bond 1-2

+           }{{\thicklines%

+              \dottedline{20}(24,40)(86,143)}}%

+    \fi\fi}%

+%    \end{macrocode}

+% \end{macro} 

+%

+% \begin{macro}{\dothskbondb}

+% The macro |\dothskbondb| is the dotted counterpart of |\hskbondb|,

+% which refers to the control sequences representing 

+% atoms on both of the terminal vertices (|\bbb| and |\ccc|) and 

+% examine whether these are empty or not.  Thereby, 

+% it decides the vertices to be truncated. 

+%

+%    \begin{macrocode}

+%bond between 3 and 2

+\def\dothskbondb{%

+  \ifx\bbb\empty%

+    \ifx\ccc\empty%

+       \@ifundefined{dottedline}{%

+        \put(103,171){\line(1,0){200}}%       %bond 2-3

+           }{{\thicklines%

+              \dottedline{20}(103,171)(303,171)}}%

+    \else%

+       \@ifundefined{dottedline}{%

+        \put(103,171){\line(1,0){160}}%       %bond 3-2

+           }{{\thicklines%

+              \dottedline{20}(103,171)(263,171)}}%

+    \fi%

+  \else%

+    \ifx\ccc\empty%

+       \@ifundefined{dottedline}{%

+        \put(143,171){\line(1,0){160}}%       %bond 3-2

+           }{{\thicklines%

+              \dottedline{20}(143,171)(303,171)}}%

+    \else%

+       \@ifundefined{dottedline}{%

+        \put(143,171){\line(1,0){120}}%       %bond 3-2

+           }{{\thicklines%

+              \dottedline{20}(143,171)(263,171)}}%

+    \fi\fi}%

+%    \end{macrocode}

+% \end{macro} 

+%

+% \begin{macro}{\dothskbondc}

+% The macro |\dothskbondc| is the dotted counterpart of |\hskbondc|,

+% which refers to the control sequences representing 

+% atoms on both of the terminal vertices (|\ddd| and |\ccc|) and 

+% examine whether these are empty or not.  Thereby, 

+% it decides the vertices to be truncated. 

+%

+%    \begin{macrocode}

+%bond between 4 and 3

+\def\dothskbondc{%

+  \ifx\ddd\empty%

+    \ifx\ccc\empty%

+       \@ifundefined{dottedline}{%

+        \put(406,0){\line(-3,5){103}}%         %bond 4-3

+           }{{\thicklines%

+              \dottedline{20}(406,0)(303,171)}}%

+    \else%

+       \@ifundefined{dottedline}{%

+        \put(406,0){\line(-3,5){79}}%         %bond 4-3

+           }{{\thicklines%

+              \dottedline{20}(406,0)(327,132)}}%

+    \fi%

+  \else%

+    \ifx\ccc\empty%

+       \@ifundefined{dottedline}{%

+        \put(382,40){\line(-3,5){79}}%        %bond 4-3

+           }{{\thicklines%

+              \dottedline{20}(382,40)(303,171)}}%

+    \else%

+       \@ifundefined{dottedline}{%

+        \put(382,40){\line(-3,5){62}}%        %bond 4-3

+           }{{\thicklines%

+              \dottedline{20}(382,40)(320,143)}}%

+    \fi\fi}%

+%    \end{macrocode}

+% \end{macro} 

+%

+% \begin{macro}{\dothskbondd}

+% The macro |\dothskbondd| is the dotted counterpart of |\hskbondd|,

+% which refers to the control sequences representing 

+% atoms on both of the terminal vertices (|\ddd| and |\eee|) and 

+% examine whether these are empty or not.  Thereby, 

+% it decides the vertices to be truncated. 

+%

+%    \begin{macrocode}

+%bond between 4 and 5

+\def\dothskbondd{%

+  \ifx\ddd\empty%

+    \ifx\eee\empty%

+       \@ifundefined{dottedline}{%

+        \put(406,0){\line(-3,-5){103}}%       %bond 4-5

+           }{{\thicklines%

+              \dottedline{20}(406,0)(303,-171)}}%

+    \else%

+       \@ifundefined{dottedline}{%

+        \put(406,0){\line(-3,-5){79}}%        %bond 4-5

+           }{{\thicklines%

+              \dottedline{20}(406,0)(327,-132)}}%

+    \fi%

+  \else%

+    \ifx\eee\empty%

+       \@ifundefined{dottedline}{%

+        \put(382,-40){\line(-3,-5){79}}%      %bond 4-5

+           }{{\thicklines%

+              \dottedline{20}(382,-40)(303,-171)}}%

+    \else%

+       \@ifundefined{dottedline}{%

+        \put(382,-40){\line(-3,-5){62}}%      %bond 4-5

+           }{{\thicklines%

+              \dottedline{20}(382,-40)(320,-143)}}%

+    \fi\fi}%

+%    \end{macrocode}

+% \end{macro} 

+%

+% \begin{macro}{\dothskbonde}

+% The macro |\dothskbonde| is the dotted counterpart of |\hskbonde|,

+% which refers to the control sequences representing 

+% atoms on both of the terminal vertices (|\eee| and |\fff|) and 

+% examine whether these are empty or not.  Thereby, 

+% it decides the vertices to be truncated. 

+%

+%    \begin{macrocode}

+%bond between 5 and 6

+\def\dothskbonde{%

+  \ifx\eee\empty%

+    \ifx\fff\empty%

+       \@ifundefined{dottedline}{%

+        \put(103,-171){\line(1,0){200}}%      %bond 6-5

+           }{{\thicklines%

+              \dottedline{20}(103,-171)(303,-171)}}%

+    \else%

+       \@ifundefined{dottedline}{%

+        \put(143,-171){\line(1,0){160}}%      %bond 5-6

+           }{{\thicklines%

+              \dottedline{20}(143,-171)(303,-171)}}%

+    \fi%

+  \else%

+    \ifx\fff\empty%

+       \@ifundefined{dottedline}{%

+        \put(103,-171){\line(1,0){160}}%      %bond 5-6

+           }{{\thicklines%

+              \dottedline{20}(103,-171)(263,-171)}}%

+    \else%

+       \@ifundefined{dottedline}{%

+        \put(143,-171){\line(1,0){120}}%      %bond 5-6

+           }{{\thicklines%

+              \dottedline{20}(143,-171)(263,-171)}}%

+    \fi\fi}%

+%    \end{macrocode}

+% \end{macro} 

+%

+% \begin{macro}{\dothskbondf}

+% The macro |\dothskbondf| is the dotted counterpart of |\hskbondf|,

+% which refers to the control sequences representing 

+% atoms on both of the terminal vertices (|\aaa| and |\fff|) and 

+% examine whether these are empty or not.  Thereby, 

+% it decides the vertices to be truncated. 

+%

+%    \begin{macrocode}

+%bond between 1 and 6

+\def\dothskbondf{%

+  \ifx\aaa\empty%

+    \ifx\fff\empty

+       \@ifundefined{dottedline}{%

+        \put(0,0){\line(3,-5){103}}%          %bond 1-6

+           }{{\thicklines%

+              \dottedline{20}(0,0)(103,-171)}}%

+    \else%

+       \@ifundefined{dottedline}{%

+        \put(0,0){\line(3,-5){79}}%           %bond 1-6

+           }{{\thicklines%

+              \dottedline{20}(0,0)(79,-131)}}%

+    \fi%

+   \else%

+    \ifx\fff\empty%

+       \@ifundefined{dottedline}{%

+        \put(24,-40){\line(3,-5){79}}%        %bond 1-6

+           }{{\thicklines%

+              \dottedline{20}(24,-40)(103,-171)}}%

+    \else%

+       \@ifundefined{dottedline}{%

+        \put(24,-40){\line(3,-5){62}}%        %bond 1-6

+           }{{\thicklines%

+              \dottedline{20}(24,-40)(86,-143)}}%

+    \fi\fi}%

+%    \end{macrocode}

+% \end{macro} 

+%

+% \begin{macro}{\dothskbondvert}

+% The macro |\dothskbondvert| refers to the control sequences representing 

+% atoms on both of the terminal vertices (|\bbb| and |\fff|) and 

+% examine whether these are empty or not.  Thereby, 

+% it decides the vertices to be truncated. 

+%

+%    \begin{macrocode}

+%vertical bond for five-membered rings

+\def\dothskbondvert{%

+  \ifx\fff\empty%

+    \ifx\bbb\empty%

+       \@ifundefined{dottedline}{%

+        \put(103,-171){\line(0,1){342}}%      %bond 4-3

+           }{{\thicklines%

+              \dottedline{20}(103,-171)(103,171)}}%

+    \else%

+       \@ifundefined{dottedline}{%

+        \put(103,-171){\line(0,1){300}}%      %bond 4-3

+           }{{\thicklines%

+              \dottedline{20}(103,-171)(103,129)}}%

+    \fi%

+  \else%

+    \ifx\bbb\empty%

+       \@ifundefined{dottedline}{%

+        \put(103,171){\line(0,-1){300}}%      %bond 4-3

+           }{{\thicklines%

+              \dottedline{20}(103,171)(103,-129)}}%

+    \else%

+       \@ifundefined{dottedline}{%

+        \put(103,-129){\line(0,1){258}}%      %bond 4-3

+           }{{\thicklines%

+              \dottedline{20}(103,-129)(103,129)}}%

+    \fi\fi}%

+%    \end{macrocode}

+% \end{macro} 

+%

+% \begin{macro}{\dothskbondverti}

+% The macro |\dothskbondverti| refers to the control sequences representing 

+% atoms on both of the terminal vertices (|\eee| and |\ccc|) and 

+% examine whether these are empty or not.  Thereby, 

+% it decides the vertices to be truncated. 

+%

+%    \begin{macrocode}

+%vertical bond for five-membered rings (inverse type)

+\def\dothskbondverti{%

+  \ifx\eee\empty%

+    \ifx\ccc\empty%

+       \@ifundefined{dottedline}{%

+        \put(303,-171){\line(0,1){342}}%      %bond 4-3

+           }{{\thicklines%

+              \dottedline{20}(303,-171)(303,171)}}%

+    \else%

+       \@ifundefined{dottedline}{%

+        \put(303,-171){\line(0,1){300}}%      %bond 4-3

+           }{{\thicklines%

+              \dottedline{20}(303,-171)(303,129)}}%

+    \fi%

+  \else%

+    \ifx\ccc\empty%

+       \@ifundefined{dottedline}{%

+        \put(303,171){\line(0,-1){300}}%      %bond 4-3

+           }{{\thicklines%

+              \dottedline{20}(303,171)(303,-129)}}%

+    \else%

+       \@ifundefined{dottedline}{%

+        \put(303,-129){\line(0,1){258}}%      %bond 4-3

+           }{{\thicklines%

+              \dottedline{20}(303,-129)(303,129)}}%

+    \fi\fi}%

+%    \end{macrocode}

+% \end{macro} 

+%

+% The macro |\set@skel@bondh| is used in |\sixfuseh| etc. 

+% for setting skeletal bonds (outer bonds), when |\@aaa| etc. 

+% (produced by |\csname|...|\endcsname|) are equal to `a' 

+% etc. (given as \#2).  Thinline, thickline and dotted-line 

+% skeletal bonds are available. 

+%

+% \begin{macro}{\set@skel@bondh}

+%    \begin{macrocode}

+\def\set@skel@bondh#1#2#3{%

+ \expandafter\if\csname @#2#2#2\endcsname #2\relax%OK

+                               % \if\@aaa #2\relax%OK

+  \@skbondlistfalse

+  \@tfor\member:=#1\do{%

+   \expandafter\twoCH@@R\member//

+    \if\@@tmpa #2\relax%

+      \if\@@tmpb A\relax%

+        \expandafter\csname dothskbond#3\endcsname% \dothskbonda etc.

+        \@skbondlisttrue

+      \else\if\@@tmpb B\relax%

+        {\thicklines 

+        \expandafter\csname hskbond#3\endcsname% \hskbonda etc.

+        }%

+        \@skbondlisttrue

+      \fi\fi

+     \fi%

+    }%

+   \if@skbondlist\else

+     {\thinlines 

+        \expandafter\csname hskbond#3\endcsname% \hskbonda etc.

+     }%

+   \fi%

+  \else

+    \expandafter\ifx\csname @#2#2#2\endcsname \empty\relax%

+                                %    \ifx\@aaa\empty\relax

+    \@tfor\member:=#1\do{%

+     \expandafter\twoCH@@R\member//

+      \if\@@tmpa #2\relax%

+       \XyMTeXWarning{Unavailable bond `#2' in SKBONDLIST}\fi

+    }%

+  \fi\fi

+}% end of \set@skel@bondh

+%    \end{macrocode}

+% \end{macro}

+%

+% \section{Six-membered heterocyles}

+% \subsection{Horizontal type}

+%

+% The standard skeleton of a six-membered heterocycle is selected 

+% to have the following locant numbers. 

+%

+% \begin{verbatim}

+% *************************

+% * sixhetero derivatives *

+% *  (horizontal type)    *

+% *************************

+% The following numbering is adopted in this macro. 

+%

+%                                   b

+%                                2      3  

+%                            a    -----    c

+%                               *       *

+%   the original point ===> 1 *           * 4

+%          (0,0)                *       *  d

+%                            f    -----

+%                                6      5 

+%                                   e

+%

+% \end{verbatim}

+%

+% The macro |\sixheterovh| has two arguments |ATOMLIST| and |SUBSLIST| 

+% as well as an optional argument |BONDLIST|.  

+% Two optional arguments |SKBONDLIST| and |OMIT| are added to 

+% treat stereochemical information or other bond situations. 

+%

+% \begin{verbatim}

+%   \sixheteroh(SKBONDLIST)[BONDLIST]{ATOMLIST}{SUBSLIST}[OMIT]

+% \end{verbatim}

+%

+% The |SKBONDLIST| argument contains pairs of two alphabets in 

+% parentheses, e.g. (\{bA\}\{fB\}).  Each pair contains a lowercase 

+% character selected from bond specifiers `a' to `f' and a uppercase

+% character `A' or `B'. 

+%

+% The |BONDLIST| argument contains one 

+% character selected from a to f, each of which indicates the presence of 

+% an inner (endcyclic) double bond on the corresponding position. 

+% The option `A' represents an aromatic circle. The option 

+% `$n+$' ($n=1$ to $6$) represents a plus charge on a hetero atom 

+% at the $n$-position. 

+%

+% \begin{verbatim}

+%     BONDLIST = 

+%

+%           none or r  :  sixhetero (right-handed)

+%           l          :  sixhetero (left-handed)

+%           a          :  1,2-double bond

+%           b          :  2,3-double bond

+%           c          :  4,3-double bond

+%           d          :  4,5-double bond

+%           e          :  5,6-double bond

+%           f          :  6,1-double bond

+%           A          :  aromatic circle 

+%           {n+}       :  plus at the n-nitrogen atom (n = 1 to 6)

+% \end{verbatim}

+%

+% The |ATOMLIST| argument contains one or more heteroatom descriptors 

+% which are separated from each other by a semicolon.  Each heteroatom 

+% descriptor consists of a locant number and a heteroatom, 

+% where these are separated with a double equality symbol. 

+%

+% \begin{verbatim}

+%     ATOMLIST: list of heteroatoms (max 6 atoms)

+%

+%       for n = 1 to 6

+%

+%           n          : Hetero atom, e.g. N, O, etc. at n-position, 

+%                        e.g. 1==N for N at 1-position

+% \end{verbatim}

+%

+% The |SUBSLIST| argument contains one or more substitution descriptors 

+% which are separated from each other by a semicolon.  Each substitution 

+% descriptor has a locant number with a bond modifier and a substituent, 

+% where these are separated with a double equality symbol. 

+%

+% \begin{verbatim}

+%     SUBSLIST: list of substituents (max 6 substitution positions)

+%

+%       for n = 1 to 6 

+%

+%           nD         :  exocyclic double bond at n-atom

+%           n or nS    :  exocyclic single bond at n-atom

+%           nA         :  alpha single bond at n-atom

+%           nB         :  beta single bond at n-atom

+%           nSA        :  alpha single bond at n-atom (boldface)

+%           nSB        :  beta single bond at n-atom (dotted line)

+%           nSa        :  alpha (not specified) single bond at n-atom

+%           nSb        :  beta (not specified) single bond at n-atom

+%

+%           nSd        :  alpha single bond at n-atom (dotted line) 

+%                           with an alternative direction to nSA 

+%           nSu        :  beta single bond at n-atom (boldface) 

+%                           with an alternative direction to nSB 

+%           nFA        :  alpha single bond at n-atom (dotted line) 

+%                           for ring fusion 

+%           nFB        :  beta single bond at n-atom (boldface) 

+%                           for ring fusion 

+%           nGA        :  alpha single bond at n-atom (dotted line) 

+%                           for the other ring fusion 

+%           nGB        :  beta single bond at n-atom (boldface) 

+%                           for the other ring fusion 

+% \end{verbatim}

+%

+% The argument |OMIT| represents one or more bonds to be omitted. 

+% The omitted edges may be regarded as both fused and non-fused 

+% positions. 

+%

+% \begin{verbatim}

+%     OMIT:  one or more bonds omitted (a, b, c, d, e, or f)

+% \end{verbatim}

+%

+% Several examples are shown as follows.

+% \begin{verbatim}

+%       e.g. 

+%        

+%        \sixheteroh{1==N}{1==Cl;2==F}

+%        \sixheteroh[c]{1==N}{1==Cl;4==F;2==CH$_{3}$}

+%        \sixheteroh[eb]{1==N}{1D==O;4SA==MeO;4SB==OMe;5==Cl;6==Cl}

+% \end{verbatim}

+%

+% The definition of |\sixheteroh| uses a picture environment and 

+% consists of the following unit processes: 

+% \begin{enumerate}

+% \item treatment of atom list, 

+% \item placing outer skeletons, 

+% \item placing inner double bonds, 

+% \item setting hetero atoms, and 

+% \item placing substituents by |\setsixringh|. 

+% \end{enumerate}

+%

+% \changes{v1.02}{1998/10/31}{Adding \cs{ylpositionh}, \cs{if@ylsw},

+% \cs{yl@shifti}, \cs{@ylii}, \cs{yl@shiftii}, \cs{@ylii}, 

+% \cs{yl@xdiff} and \cs{yl@ydiff}}

+% \changes{v2.00}{1998/11/29}{Add: Spiro and fused rings}

+%

+% \begin{macro}{\sixheteroh}

+% \begin{macro}{\@six@heteroh}

+% \begin{macro}{\@six@@heteroh}

+% \begin{macro}{\@sixheteroh}

+%    \begin{macrocode}

+\def\sixheteroh{\@ifnextchar({\@six@heteroh(@}{\@six@heteroh(@)}}

+\def\@six@heteroh(#1){\@ifnextchar[{\@six@@heteroh(#1)[@}%

+{\@six@@heteroh(#1)[@]}}

+\def\@six@@heteroh(#1)[#2]#3#4{\@ifnextchar[%

+{\@sixheteroh(#1)[#2]{#3}{#4}[@}%

+{\@sixheteroh(#1)[#2]{#3}{#4}[@]}}

+\def\@sixheteroh(#1)[#2]#3#4[#5]{%

+%    \end{macrocode}

+%

+%    \begin{macrocode}

+% %%%%%%%%%%%%%%%%%%%%%%%%%%

+% % treatment of atom list %

+% %%%%%%%%%%%%%%%%%%%%%%%%%%

+\iniatom\iniflag%initialize

+\test@vrtx@sixh{#3}%

+% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%

+% % adjustment of attached positions %

+% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%

+\@reset@ylsw%

+\ylpositionh{#4}{0}{0}{7}{0}%

+\if@ylsw

+ \yl@shiftii=\@ylii

+ \yl@shifti=\@yli

+ \advance\yl@shiftii\yl@xdiff

+ \advance\yl@shifti\yl@ydiff

+\begin{picture}(0,0)(-\yl@shiftii,-\yl@shifti)

+ \reset@yl@xydiff%1999/1/6 by S. Fujita

+\else

+\begin{picture}(880,800)(-240,-400)%

+  \iforigpt \put(-\shifti,-\shiftii){\circle*{50}}%

+           \put(-\noshift,-\noshift){\circle{50}}% 

+   \typeout{command `sixheteroh' origin: %

+    (\the\noshift,\the\noshift) ---> (\the\shifti,\the\shiftii)}\fi%

+\fi

+%    \end{macrocode}

+%

+%    \begin{macrocode}

+% %%%%%%%%%%%%%%%%%%

+% % outer skeleton %

+% %%%%%%%%%%%%%%%%%%

+{%

+\resetbdsw%

+\@bond@@omit{#5}%

+\set@skel@bondh{#1}{a}{a}% bond between 1 and 2 \@aaa -> \hskbonda etc

+\set@skel@bondh{#1}{b}{b}% bond between 2 and 3 \@bbb -> \hskbondb etc

+\set@skel@bondh{#1}{c}{c}% bond between 3 and 4 \@ccc -> \hskbondc etc

+\set@skel@bondh{#1}{d}{d}% bond between 4 and 5 \@ddd -> \hskbondd etc

+\set@skel@bondh{#1}{e}{e}% bond between 5 and 6 \@eee -> \hskbonde etc

+\set@skel@bondh{#1}{f}{f}% bond between 6 and 1 \@fff -> \hskbondf etc

+}%

+%    \end{macrocode}

+%

+%    \begin{macrocode}

+% %%%%%%%%%%%%%%%%%%%%%

+% % inner double bond %

+% %%%%%%%%%%%%%%%%%%%%%

+\@tfor\member:=#2\do{%

+\if\member r\relax \hbondd \hbondf \hbondb%

+\else \if\member l\relax \hbonda \hbondc \hbonde%

+\else \if\member a\relax \hbonda%

+\else \if\member b\relax \hbondb%

+\else \if\member c\relax \hbondc%

+\else \if\member d\relax \hbondd%

+\else \if\member e\relax \hbonde%

+\else \if\member f\relax \hbondf%

+\else \if\member A%left aromatic circle 

+%  \put(0,203){\circle{240}}%                %circle

+  \put(203,0){\circle{240}}%                %circle

+% %%%%%%%%%%%%%%%%%%%%%%%%%

+% % inner bond attachment %

+% %%%%%%%%%%%%%%%%%%%%%%%%%

+\else \expandafter\twoCH@@R\member//%

+     \set@fusionadd@sixh

+\fi\fi\fi\fi\fi\fi\fi\fi\fi}%

+%    \end{macrocode}

+%

+%    \begin{macrocode}

+% %%%%%%%%%%%%%%%%%%%%%%%%

+% % setting hetero atoms %

+% %%%%%%%%%%%%%%%%%%%%%%%%

+\set@hetatom@sixh{#3}{0}{0}{7}{0}%    %atom 1--6%

+%    \end{macrocode}

+%

+%    \begin{macrocode}

+% %%%%%%%%%%%%%%%%%%%%%%%%

+% % setting substituents %

+% %%%%%%%%%%%%%%%%%%%%%%%%

+\setsixringh{#4}{0}{0}{7}{0}%              %subst 1--6

+\end{picture}\iniatom\iniflag}%     %end of \sixheteroh macro

+%    \end{macrocode}

+% \end{macro}

+% \end{macro}

+% \end{macro}

+% \end{macro}

+%

+% The macro |\test@vrtx@sixh| is used to test the presence of 

+% a hetero atom or a spiro substituent on a vertex of the 

+% sixheteroh nucleus. 

+%

+% \begin{macro}{\test@vrtx@sixh}

+%    \begin{macrocode}

+\def\test@vrtx@sixh#1{%

+\@forsemicol\member:=#1\do{%

+\ifx\member\empty\else

+\expandafter\@m@mb@r\member;\relax%

+\expandafter\twoch@r\@membera{}%

+\ifcase\@tmpa%

+ \or% \xdef\aaa{\@memberb}%

+   \if\@tmpb s\relax\def\aaa{}\else\def\aaa{@}\fi

+ \or% \xdef\bbb{\@memberb}%

+   \if\@tmpb s\relax\def\bbb{}\else\def\bbb{@}\fi

+ \or% \xdef\ccc{\@memberb}%

+   \if\@tmpb s\relax\def\ccc{}\else\def\ccc{@}\fi

+ \or% \xdef\ddd{\@memberb}%

+   \if\@tmpb s\relax\def\ddd{}\else\def\ddd{@}\fi

+ \or% \xdef\eee{\@memberb}%

+   \if\@tmpb s\relax\def\eee{}\else\def\eee{@}\fi

+ \or% \xdef\fff{\@memberb}%

+   \if\@tmpb s\relax\def\fff{}\else\def\fff{@}\fi

+\fi\fi}%

+}% end of \test@vrtx@sixh

+%    \end{macrocode}

+% \end{macro} 

+%

+% \subsection{Inverse horizontal type}

+%

+% The standard skeleton of a six-membered heterocycle of inverse type 

+% is selected to have the following locant numbers. 

+%

+% \begin{verbatim}

+% ************************************

+% * sixhetero derivatives            *

+% *  (horizontal type, inverse type) *

+% ************************************

+% The following numbering is adopted in this macro. 

+%

+%                                   b

+%                                3      2  

+%                            c    -----    a

+%                               *       *

+%   the original point ===> 4 *           * 1

+%          (0,0)                *       *  f

+%                            d    -----

+%                                5      6 

+%                                   e

+% \end{verbatim}

+%

+% The macro |\sixheterohi| has two arguments |ATOMLIST| and |SUBSLIST| 

+% as well as an optional argument |BONDLIST|.  

+% Two optional arguments |SKBONDLIST| and |OMIT| are added to 

+% treat stereochemical information or other bond situations. 

+%

+% \begin{verbatim}

+%   \sixheterohi(SKBONDLIST)[BONDLIST]{ATOMLIST}{SUBSLIST}[OMIT]

+% \end{verbatim}

+%

+% The |SKBONDLIST| argument contains pairs of two alphabets in 

+% parentheses, e.g. (\{bA\}\{fB\}).  Each pair contains a lowercase 

+% character selected from bond specifiers `a' to `f' and a uppercase

+% character `A' or `B'. 

+%

+% The |BONDLIST| argument contains one 

+% character selected from a to f, each of which indicates the presence of 

+% an inner (endcyclic) double bond on the corresponding position. 

+% The option `A' represents an aromatic circle. The option 

+% `$n+$' ($n=1$ to $6$) represents a plus charge on a hetero atom 

+% at the $n$-position. 

+%

+% \begin{verbatim}

+%  

+%     BONDLIST = 

+%

+%           none or r  :  sixhetero (right-handed)

+%           l          :  sixhetero (left-handed)

+%           []         :  fully saturated form

+%           a          :  1,2-double bond

+%           b          :  2,3-double bond

+%           c          :  4,3-double bond

+%           d          :  4,5-double bond

+%           e          :  5,6-double bond

+%           f          :  6,1-double bond

+%           A          :  aromatic circle 

+%           {n+}       :  plus at the n-nitrogen atom (n = 1 to 4)

+% \end{verbatim}

+%

+% The |ATOMLIST| argument contains one or more heteroatom descriptors 

+% which are separated from each other by a semicolon.  Each heteroatom 

+% descriptor consists of a locant number and a heteroatom, 

+% where these are separated with a double equality symbol. 

+%

+% \begin{verbatim}

+%     ATOMLIST: list of heteroatoms (max 6 atoms)

+%

+%       for n = 1 to 6

+%

+%           n          : Hetero atom, e.g. N, O, etc. at n-position, 

+%                        e.g. 1==N for N at 1-position

+% \end{verbatim}

+%

+% The |SUBSLIST| argument contains one or more substitution descriptors 

+% which are separated from each other by a semicolon.  Each substitution 

+% descriptor has a locant number with a bond modifier and a substituent, 

+% where these are separated with a double equality symbol. 

+%

+% \begin{verbatim}

+%     SUBSLIST: list of substituents (max 6 substitution positions)

+%

+%       for n = 1 to 6 

+%

+%           nD         :  exocyclic double bond at n-atom

+%           n or nS    :  exocyclic single bond at n-atom

+%           nA         :  alpha single bond at n-atom

+%           nB         :  beta single bond at n-atom

+%           nSA        :  alpha single bond at n-atom (boldface)

+%           nSB        :  beta single bond at n-atom (dotted line)

+%           nSa        :  alpha (not specified) single bond at n-atom

+%           nSb        :  beta (not specified) single bond at n-atom

+%

+%           nSd        :  alpha single bond at n-atom (dotted line) 

+%                           with an alternative direction to nSA 

+%           nSu        :  beta single bond at n-atom (boldface) 

+%                           with an alternative direction to nSB 

+%           nFA        :  alpha single bond at n-atom (dotted line) 

+%                           for ring fusion 

+%           nFB        :  beta single bond at n-atom (boldface) 

+%                           for ring fusion 

+%           nGA        :  alpha single bond at n-atom (dotted line) 

+%                           for the other ring fusion 

+%           nGB        :  beta single bond at n-atom (boldface) 

+%                           for the other ring fusion 

+% \end{verbatim}

+%

+% The argument |OMIT| represents one or more bonds to be omitted. 

+% The omitted edges may be regarded as both fused and non-fused 

+% positions. 

+%

+% \begin{verbatim}

+%     OMIT:  one or more bonds omitted (a, b, c, d, e, or f)

+% \end{verbatim}

+%

+% Several examples are shown as follows.

+% \begin{verbatim}

+%       e.g. 

+%        

+%        \sixheterohi{1==N}{1==Cl;2==F}

+%        \sixheterohi[c]{1==N}{1==Cl;4==F;2==CH$_{3}$}

+%        \sixheterohi[eb]{1==N}{1D==O;4SA==MeO;4SB==OMe;5==Cl;6==Cl}

+% \end{verbatim}

+%

+% The definition of |\sixheterohi| uses a picture environment and 

+% consists of the same unit processes as shown in |\sixheterov|: 

+% \begin{enumerate}

+% \item treatment of atom list, 

+% \item placing outer skeletons, 

+% \item placing inner double bonds, 

+% \item setting hetero atoms, and 

+% \item placing substituents by |\setsixringh|. 

+% \end{enumerate}

+% \changes{v1.02}{1998/10/31}{Adding \cs{ylpositionh}, \cs{if@ylsw},

+% \cs{yl@shifti}, \cs{@ylii}, \cs{yl@shiftii}, \cs{@ylii}, 

+% \cs{yl@xdiff} and \cs{yl@ydiff}}

+% \changes{v2.00}{1998/11/29}{Add: Spiro and fused rings}

+%

+% \begin{macro}{\sixheterohi}

+% \begin{macro}{\@six@heterohi}

+% \begin{macro}{\@six@@heterohi}

+% \begin{macro}{\@sixheterohi}

+%    \begin{macrocode}

+\def\sixheterohi{\@ifnextchar({\@six@heterohi(@}{\@six@heterohi(@)}}

+\def\@six@heterohi(#1){\@ifnextchar[{\@six@@heterohi(#1)[@}%

+{\@six@@heterohi(#1)[@]}}

+\def\@six@@heterohi(#1)[#2]#3#4{\@ifnextchar[%

+{\@sixheterohi(#1)[#2]{#3}{#4}[@}%

+{\@sixheterohi(#1)[#2]{#3}{#4}[@]}}

+\def\@sixheterohi(#1)[#2]#3#4[#5]{%

+%    \end{macrocode}

+%

+%    \begin{macrocode}

+% %%%%%%%%%%%%%%%%%%%%%%%%%%

+% % treatment of atom list %

+% %%%%%%%%%%%%%%%%%%%%%%%%%%

+\iniatom\iniflag%initialize

+\test@vrtx@sixhi{#3}%

+\@reset@ylsw%

+\ylpositionh{#4}{5}{0}{5}{-1}%               %subst 1--4

+\ylpositionh{#4}{11}{4}{7}{-1}%              %subst 5 and 6

+\if@ylsw

+ \yl@shiftii=\@ylii

+ \yl@shifti=\@yli

+ \advance\yl@shiftii\yl@xdiff

+ \advance\yl@shifti\yl@ydiff

+ \begin{picture}(0,0)(-\yl@shiftii,-\yl@shifti)

+ \reset@yl@xydiff%1999/1/6 by S. Fujita

+\else

+ \begin{picture}(880,800)(-240,-400)%

+  \iforigpt \put(-\shifti,-\shiftii){\circle*{50}}%

+           \put(-\noshift,-\noshift){\circle{50}}% 

+   \typeout{command `sixheterohi' origin: %

+    (\the\noshift,\the\noshift) ---> (\the\shifti,\the\shiftii)}\fi%

+\fi

+%    \end{macrocode}

+%

+%    \begin{macrocode}

+% %%%%%%%%%%%%%%%%%%

+% % outer skeleton %

+% %%%%%%%%%%%%%%%%%%

+{\resetbdsw%

+\@bond@@omit{#5}%

+\set@skel@bondh{#1}{a}{c}% bond between 1 and 2 \@aaa -> \hskbondc etc

+\set@skel@bondh{#1}{b}{b}% bond between 2 and 3 \@bbb -> \hskbondb etc

+\set@skel@bondh{#1}{c}{a}% bond between 3 and 4 \@ccc -> \hskbonda etc

+\set@skel@bondh{#1}{d}{f}% bond between 4 and 5 \@ddd -> \hskbondf etc

+\set@skel@bondh{#1}{e}{e}% bond between 5 and 6 \@eee -> \hskbonde etc

+\set@skel@bondh{#1}{f}{d}% bond between 6 and 1 \@fff -> \hskbondd etc

+}%

+%    \end{macrocode}

+%

+%    \begin{macrocode}

+% %%%%%%%%%%%%%%%%%%%%%

+% % inner double bond %

+% %%%%%%%%%%%%%%%%%%%%%

+\@tfor\member:=#2\do{%

+\if\member r\relax \hbondd \hbondf \hbondb%

+\else \if\member l\relax \hbonda \hbondc \hbonde%

+\else \if\member a\relax \hbondc%

+\else \if\member b\relax \hbondb%

+\else \if\member c\relax \hbonda%

+\else \if\member d\relax \hbondf%

+\else \if\member e\relax \hbonde%

+\else \if\member f\relax \hbondd%

+\else \if\member A%left aromatic circle 

+%  \put(0,203){\circle{240}}%               %circle

+  \put(203,0){\circle{240}}%               %circle

+% %%%%%%%%%%%%%%%%%%%%%%%%%

+% % inner bond attachment %

+% %%%%%%%%%%%%%%%%%%%%%%%%%

+\else \expandafter\twoCH@@R\member//%

+     \set@fusionadd@sixhi

+\fi\fi\fi\fi\fi\fi\fi\fi\fi}%

+%    \end{macrocode}

+%

+%    \begin{macrocode}

+% %%%%%%%%%%%%%%%%%%%%%%%%

+% % setting hetero atoms %

+% %%%%%%%%%%%%%%%%%%%%%%%%

+\set@hetatom@sixh{#3}{5}{0}{5}{-1}%               %subst 1--4

+\set@hetatom@sixh{#3}{11}{4}{7}{-1}%              %subst 5 and 6

+%    \end{macrocode}

+%

+%    \begin{macrocode}

+% %%%%%%%%%%%%%%%%%%%%%%%%

+% % setting substituents %

+% %%%%%%%%%%%%%%%%%%%%%%%%

+\setsixringh{#4}{5}{0}{5}{-1}%               %subst 1--4

+\setsixringh{#4}{11}{4}{7}{-1}%              %subst 5 and 6

+\end{picture}\iniatom\iniflag}%     %end of \sixheterohi macro

+%    \end{macrocode}

+% \end{macro}

+% \end{macro}

+% \end{macro}

+% \end{macro}

+%

+% The macro |\test@vrtx@sixhi| is used to test the presence of 

+% a hetero atom or a spiro substituent on a vertex of the 

+% sixheteroh nucleus. 

+%

+% \begin{macro}{\test@vrtx@sixhi}

+%    \begin{macrocode}

+\def\test@vrtx@sixhi#1{%

+\@forsemicol\member:=#1\do{%

+\ifx\member\empty\else

+\expandafter\@m@mb@r\member;\relax%

+\expandafter\twoch@r\@membera{}%

+\ifcase\@tmpa%

+ \or \if\@tmpb s\relax\def\ddd{}\else\def\ddd{@}\fi

+ \or \if\@tmpb s\relax\def\ccc{}\else\def\ccc{@}\fi

+ \or \if\@tmpb s\relax\def\bbb{}\else\def\bbb{@}\fi

+ \or \if\@tmpb s\relax\def\aaa{}\else\def\aaa{@}\fi

+ \or \if\@tmpb s\relax\def\fff{}\else\def\fff{@}\fi

+ \or \if\@tmpb s\relax\def\eee{}\else\def\eee{@}\fi

+\fi\fi}%

+}% end of \test@vrtx@sixhi

+%    \end{macrocode}

+% \end{macro}

+%

+% \subsection{Pyridine derivatives of horizontal type}

+%

+% The macros |\sixheteroh| and |\sixheterohi| can be used in the 

+% form of a fixed |ATOMLIST|.  Hence, the resulting commands for 

+% drawing a six-membered heterocyle with one or more nitrogen atoms 

+% have an argument |SUBSLIST| as well as an optional argument |BONDLIST|.  

+%

+% \begin{verbatim}

+% ************************

+% * pyridine derivatives *

+% *  (horizontal type)   *

+% ************************

+%

+%   \pyridineh[BONDLIST]{SUBSLIST}

+%   \pyridinehi[BONDLIST]{SUBSLIST}

+%   \pyrazineh[BONDLIST]{SUBSLIST}

+%   \pyrimidineh[BONDLIST]{SUBSLIST}

+%   \pyrimidinehi[BONDLIST]{SUBSLIST}

+%   \triazineh[BONDLIST]{SUBSLIST}

+%   \triazinehi[BONDLIST]{SUBSLIST}

+% \end{verbatim}

+%

+% The |BONDLIST| argument contains one 

+% character selected from a to f, each of which indicates the presence of 

+% an inner (endcyclic) double bond on the corresponding position. 

+% The option `A' represents an aromatic circle. The option 

+% `$n+$' ($n=1$ to $6$) represents a plus charge on a hetero atom 

+% at the $n$-position. 

+%

+% \begin{verbatim}

+%     BONDLIST = 

+%

+%           none or r  :  pyridine (right-handed)

+%           l          :  pyridine (left-handed)

+%           []         :  fully saturated ring

+%           a          :  1,2-double bond

+%           b          :  2,3-double bond

+%           c          :  4,3-double bond

+%           d          :  4,5-double bond

+%           e          :  5,6-double bond

+%           f          :  6,1-double bond

+%           A          :  aromatic circle 

+%           {n+}       :  plus at the nitrogen atom

+% \end{verbatim}

+%

+% The |SUBSLIST| argument contains one or more substitution descriptors 

+% which are separated from each other by a semicolon.  Each substitution 

+% descriptor has a locant number with a bond modifier and a substituent, 

+% where these are separated with a double equality symbol. 

+%

+% \begin{verbatim}

+%     SUBSLIST: list of substituents

+%

+%       for n = 1 to 6 

+%

+%           nD         :  exocyclic double bond at n-atom

+%           n or nS    :  exocyclic single bond at n-atom

+%           nA         :  alpha single bond at n-atom

+%           nB         :  beta single bond at n-atom

+%           nSA        :  alpha single bond at n-atom (boldface)

+%           nSB        :  beta single bond at n-atom (dotted line)

+%           nSa        :  alpha (not specified) single bond at n-atom

+%           nSb        :  beta (not specified) single bond at n-atom

+%

+%           nSd        :  alpha single bond at n-atom (dotted line) 

+%                           with an alternative direction to nSA 

+%           nSu        :  beta single bond at n-atom (boldface) 

+%                           with an alternative direction to nSB 

+%           nFA        :  alpha single bond at n-atom (dotted line) 

+%                           for ring fusion 

+%           nFB        :  beta single bond at n-atom (boldface) 

+%                           for ring fusion 

+%           nGA        :  alpha single bond at n-atom (dotted line) 

+%                           for the other ring fusion 

+%           nGB        :  beta single bond at n-atom (boldface) 

+%                           for the other ring fusion 

+% \end{verbatim}

+%

+% Several examples are shown as follows.

+% \begin{verbatim}

+%       e.g. 

+%        

+%        \pyridineh{1==Cl;2==F}

+%        \pyridineh[c]{1==Cl;4==F;2==CH$_{3}$}

+%        \pyridineh[eb]{1D==O;4SA==MeO;4SB==OMe;5W==Cl;6==Cl}

+% \end{verbatim}

+% \changes{v2.00}{1998/11/29}{Add: fused rings}

+%

+% \begin{macro}{\pyridineh}

+% \begin{macro}{\pyridinehi}

+%    \begin{macrocode}

+\def\pyridineh{\@ifnextchar[{\@pyridineh[@}{\@pyridineh[r]}}%

+\def\@pyridineh[#1]#2{%

+\iforigpt \typeout{command `pyridineh' %

+ is based on `sixheteroh'.}\fi%

+\sixheteroh[#1]{1==N}{#2}}%end of \pyridineh macro

+\def\pyridinehi{\@ifnextchar[{\@pyridinehi}{\@pyridinehi[r]}}%

+\def\@pyridinehi[#1]#2{%

+\iforigpt \typeout{command `pyridinehi' %

+ is based on `sixheterohi'.}\fi%

+\sixheterohi[#1]{1==N}{#2}}% %end of \pyridinehi macro

+%    \end{macrocode}

+% \end{macro}

+% \end{macro}

+%

+% \begin{macro}{\pyridazineh}

+%    \begin{macrocode}

+\def\pyrazineh{\@ifnextchar[{\@pyrazineh[@}{\@pyrazineh[r]}}%

+\def\@pyrazineh[#1]#2{%

+\iforigpt \typeout{command `pyrazineh' %

+ is based on `sixheteroh'.}\fi%

+\sixheteroh[#1]{1==N;4==N}{#2}}%end of \pyrazineh macro

+%    \end{macrocode}

+% \end{macro}

+%

+% \begin{macro}{\pyrimidineh}

+% \begin{macro}{\pyrimidinehi}

+%    \begin{macrocode}

+\def\pyrimidineh{%

+ \@ifnextchar[{\@pyrimidineh[@}{\@pyrimidineh[r]}}%

+\def\@pyrimidineh[#1]#2{%

+\iforigpt \typeout{command `pyrimidineh' %

+ is based on `sixheteroh'.}\fi%

+\sixheteroh[#1]{1==N;3==N}{#2}}%

+   %end of \pyrimidineh macro

+\def\pyrimidinehi{%

+ \@ifnextchar[{\@pyrimidinehi[@}{\@pyrimidinehi[r]}}%

+\def\@pyrimidinehi[#1]#2{%

+\iforigpt \typeout{command `pyrimidinehi' %

+ is based on `sixheterohi'.}\fi%

+\sixheterohi[#1]{1==N;3==N}{#2}}%end of \pyrimidinehi macro

+%    \end{macrocode}

+% \end{macro}

+% \end{macro}

+%

+% \begin{macro}{\pyridazineh}

+% \begin{macro}{\pyridazinehi}

+%    \begin{macrocode}

+\def\pyridazineh{\@ifnextchar[{\@pyridazineh[@}{\@pyridazineh[r]}}%

+\def\@pyridazineh[#1]#2{%

+\iforigpt \typeout{command `pyridazineh' %

+ is based on `sixheteroh'.}\fi%

+\sixheteroh[#1]{1==N;2==N}{#2}}%

+   %end of \pyridazineh macro

+\def\pyridazinehi{%

+ \@ifnextchar[{\@pyridazinehi}{\@pyridazinehi[r]}}%

+\def\@pyridazinehi[#1]#2{%

+\iforigpt \typeout{command `pyridazinehi' %

+ is based on `sixheterohi'.}\fi%

+\sixheterohi[#1]{1==N;2==N}{#2}}%end of \pyridazinehi macro

+%    \end{macrocode}

+% \end{macro}

+% \end{macro}

+%

+% \begin{macro}{\triazineh}

+% \begin{macro}{\triazinehi}

+%    \begin{macrocode}

+\def\triazineh{\@ifnextchar[{\@triazineh[@}{\@triazineh[r]}}%

+\def\@triazineh[#1]#2{%

+\iforigpt \typeout{command `triazineh' %

+ is based on `sixheteroh'.}\fi%

+\sixheteroh[#1]{1==N;3==N;5==N}{#2}}%end of \triazineh macro

+\def\triazinehi{\@ifnextchar[{\@triazinehi[@}{\@triazinehi[r]}}%

+\def\@triazinehi[#1]#2{%

+\iforigpt \typeout{command `triazinehi' %

+ is based on `sixheterohi'.}\fi%

+\sixheterohi[#1]{1==N;3==N;5==N}{#2}}%end of \triazinehi macro

+%    \end{macrocode}

+% \end{macro}

+% \end{macro}

+%

+% \section{Five-membered heterocycles}

+% \subsection{Horizontal type}

+%

+% The standard skeleton of a five-membered heterocycle 

+% is selected to have the following locant numbers. 

+%

+% \begin{verbatim}

+% ****************************

+% * fivehetero derivatives   *

+% *  (horizontal type)       *

+% ****************************

+% The following numbering is adopted in this macro. 

+%

+%     3  _____  2

+%       |       *

+%       |         * 1 <===== the original point

+%       |       *

+%     4  -----  5

+% \end{verbatim}

+%

+% The macro |\fiveheteroh| has two arguments |ATOMLIST| and |SUBSLIST| 

+% as well as an optional argument |BONDLIST|.  

+% Two optional arguments |SKBONDLIST| and |OMIT| are added to 

+% treat stereochemical information or other bond situations. 

+%

+% \begin{verbatim}

+%   \fiveheteroh(SKBONDLIST)[BONDLIST]{ATOMLIST}{SUBSLIST}[OMIT]

+% \end{verbatim}

+%

+% The |SKBONDLIST| argument contains pairs of two alphabets in 

+% parentheses, e.g. (\{bA\}\{fB\}).  Each pair contains a lowercase 

+% character selected from bond specifiers `a' to `e' and a uppercase

+% character `A' or `B'. 

+%

+% The |BONDLIST| argument contains one 

+% character selected from a to e, each of which indicates the presence of 

+% an inner (endcyclic) double bond on the corresponding position. 

+% The option `A' represents an aromatic circle. The option 

+% `$n+$' ($n=1$ to $5$) represents a plus charge on a hetero atom 

+% at the $n$-position. The option 

+% `$0+$' represents a plus charge at the center of the ring. 

+%

+% \begin{verbatim}  

+%     BONDLIST: list of inner double bonds 

+%

+%           a          :  1,2-double bond

+%           b          :  2,3-double bond

+%           c          :  4,3-double bond

+%           d          :  4,5-double bond

+%           e          :  5,1-double bond

+%           A          :  aromatic circle

+%           {n+}       :  plus at the n-nitrogen atom (n = 1 to 5)

+%           {0+}       :  plus (or others) at the center

+% \end{verbatim}

+%

+% The |ATOMLIST| argument contains one or more heteroatom descriptors 

+% which are separated from each other by a semicolon.  Each heteroatom 

+% descriptor consists of a locant number and a heteroatom, 

+% where these are separated with a double equality symbol. 

+%

+% \begin{verbatim}

+%     ATOMLIST: list of heteroatoms (max 5 atoms)

+%

+%       for n = 1 to 5

+%

+%           n          : Hetero atom, e.g. N, O, etc. at n-position

+%                        e.g. 1==N for N at 1-position

+% \end{verbatim}

+%

+% The |SUBSLIST| argument contains one or more substitution descriptors 

+% which are separated from each other by a semicolon.  Each substitution 

+% descriptor has a locant number with a bond modifier and a substituent, 

+% where these are separated with a double equality symbol. 

+%

+% \begin{verbatim}

+%     SUBSLIST: list of substituents

+%

+%       for n = 1 to 5 

+%

+%           nD         :  exocyclic double bond at n-atom

+%           n or nS    :  exocyclic single bond at n-atom

+%           nA         :  alpha single bond at n-atom

+%           nB         :  beta single bond at n-atom

+%           nSA        :  alpha single bond at n-atom (boldface)

+%           nSB        :  beta single bond at n-atom (dotted line)

+%           nSa        :  alpha (not specified) single bond at n-atom

+%           nSb        :  beta (not specified) single bond at n-atom

+%

+%           nSd        :  alpha single bond at n-atom (dotted line) 

+%                           with an alternative direction to nSA 

+%           nSu        :  beta single bond at n-atom (boldface) 

+%                           with an alternative direction to nSB 

+%           nFA        :  alpha single bond at n-atom (dotted line) 

+%                           for ring fusion 

+%           nFB        :  beta single bond at n-atom (boldface) 

+%                           for ring fusion 

+%           nGA        :  alpha single bond at n-atom (dotted line) 

+%                           for the other ring fusion 

+%           nGB        :  beta single bond at n-atom (boldface) 

+%                           for the other ring fusion 

+% \end{verbatim}

+%

+% The argument |OMIT| represents one or more bonds to be omitted. 

+% The omitted edges may be regarded as both fused and non-fused 

+% positions. 

+%

+% \begin{verbatim}

+%     OMIT:  one or more bonds omitted (a, b, c, d, or e)

+% \end{verbatim}

+%

+% Several examples are shown as follows.

+% \begin{verbatim}

+%       e.g. 

+%        

+%        \fiveheteroh{1==N}{1==H;2==F}

+%        \fiveheteroh[c]{1==N}{1==Cl;4==F;2==CH$_{3}$}

+%        \fiveheteroh[eb]{1==N}{1D==O;4SA==MeO;4SB==OMe;5==Cl;6==Cl}

+% \end{verbatim}

+%

+% The definition of |\fiveheteroh| uses a picture environment and 

+% consists of the same unit processes as shown in |\sixheterov|: 

+% \begin{enumerate}

+% \item treatment of atom list, 

+% \item placing outer skeletons, 

+% \item placing inner double bonds, 

+% \item setting hetero atoms, and 

+% \item placing substituents by |\setsixringh| partially. 

+% \end{enumerate}

+% \changes{v1.02}{1998/10/31}{Adding \cs{ylpositionh}, \cs{if@ylsw},

+% \cs{yl@shifti}, \cs{@ylii}, \cs{yl@shiftii}, \cs{@ylii}, 

+% \cs{yl@xdiff} and \cs{yl@ydiff}}

+% \changes{v2.00}{1998/12/5}{Add: fused and spiro rings}

+%

+% \begin{macro}{\fiveheteroh}

+% \begin{macro}{\@five@heteroh}

+% \begin{macro}{\@five@@heteroh}

+% \begin{macro}{\@fiveheteroh}

+%    \begin{macrocode}

+\def\fiveheteroh{\@ifnextchar({\@five@heteroh(@}{\@five@heteroh(@)}}

+\def\@five@heteroh(#1){\@ifnextchar[{\@five@@heteroh(#1)[@}%

+{\@five@@heteroh(#1)[@]}}

+\def\@five@@heteroh(#1)[#2]#3#4{\@ifnextchar[%

+{\@fiveheteroh(#1)[#2]{#3}{#4}[@}%

+{\@fiveheteroh(#1)[#2]{#3}{#4}[@]}}

+\def\@fiveheteroh(#1)[#2]#3#4[#5]{%

+\iniatom\iniflag%initialize

+%    \end{macrocode}

+%

+%    \begin{macrocode}

+% %%%%%%%%%%%%%%%%%%%%%%%%%%

+% % treatment of atom list %

+% %%%%%%%%%%%%%%%%%%%%%%%%%%

+\test@vrtx@fivehi{#3}%

+% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%

+% % adustment of subs positions %

+% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%

+\@reset@ylsw%

+\ylpositionh{#4}{5}{1}{5}{-1}%   % for 1 to 3

+\if@ylsw \ifx\@@ylii\empty

+\def\@@ylii{0}\def\@@yli{0}\fi

+\else

+\ylpositionh{#4}{10}{4}{7}{-1}%  % for 4 to 5

+\fi

+\if@ylsw \ifx\@@ylii\empty

+\def\@@ylii{0}\def\@@yli{0}\fi

+\fi

+\if@ylsw

+ \yl@shiftii=\@ylii

+ \yl@shifti=\@yli

+ \advance\yl@shiftii\@@ylii

+ \advance\yl@shifti\@@yli

+ \advance\yl@shiftii\yl@xdiff

+ \advance\yl@shifti\yl@ydiff

+ \begin{picture}(0,0)(-\yl@shiftii,-\yl@shifti)

+ \reset@yl@xydiff%1999/1/6 by S. Fujita

+\else

+\begin{picture}(800,880)(-240,-400)%

+  \iforigpt \put(-\shifti,-\shiftii){\circle*{50}}%

+           \put(-\noshift,-\noshift){\circle{50}}% 

+   \typeout{command `fiveheteroh' origin: %

+    (\the\noshift,\the\noshift) ---> (\the\shifti,\the\shiftii)}\fi%

+\fi

+%    \end{macrocode}

+%

+%    \begin{macrocode}

+% %%%%%%%%%%%%%%%%%%

+% % outer skeleton %

+% %%%%%%%%%%%%%%%%%%

+{\resetbdsw%

+\@bond@@omit{#5}%

+\set@skel@bondh{#1}{a}{c}% bond between 1 and 2 \@aaa -> \skbondc etc

+\set@skel@bondh{#1}{b}{b}% bond between 2 and 3 \@bbb -> \skbondb etc

+\set@skel@longbond{#1}{c}{hskbondvert}%

+      % bond between 3 and 4 \@ccc -> \skbondhoriz etc

+\set@skel@bondh{#1}{d}{e}% bond between 4 and 5 \@ddd -> \skbonde etc

+\set@skel@bondh{#1}{e}{d}% bond between 5 and 1 \@eee -> \skbondd etc

+}%

+% %%%%%%%%%%%%%%%%%%%%%

+% % inner double bond %

+% %%%%%%%%%%%%%%%%%%%%%

+\@tfor\member:=#2\do{%

+\if\member r%

+\else \if\member a\relax \hbondc%

+\else \if\member b\relax \hbondb%

+\else \if\member c\relax \hbondvert%

+\else \if\member d\relax \hbonde%

+\else \if\member e\relax \hbondd%

+\else \if\member A%left aromatic circle 

+  \put(233,0){\circle{180}}%               %circle

+\else 

+    \expandafter\twoCH@@R\member//%

+    \set@fusionadd@fiveh

+\fi\fi\fi\fi\fi\fi\fi}%

+%    \end{macrocode}

+%

+%    \begin{macrocode}

+% %%%%%%%%%%%%%%%%%%%%%%%%

+% % setting hetero atoms %

+% %%%%%%%%%%%%%%%%%%%%%%%%

+\put(0,0){\set@hetatom@sixh{#3}{5}{1}{5}{-1}}%   % for 1 to 3

+\put(0,0){\set@hetatom@sixh{#3}{10}{4}{7}{-1}}%  % for 4 to 5

+%    \end{macrocode}

+%

+%    \begin{macrocode}

+% %%%%%%%%%%%%%%%%%%%%%%%%

+% % setting substituents %

+% %%%%%%%%%%%%%%%%%%%%%%%%

+\put(0,0){\setsixringh{#4}{5}{1}{5}{-1}}%   % for 1 to 3

+\put(0,0){\setsixringh{#4}{10}{4}{7}{-1}}%  % for 4 to 5

+\end{picture}\iniatom\iniflag}%      %end of \fiveheteroh macro

+%    \end{macrocode}

+% \end{macro}

+% \end{macro}

+% \end{macro}

+% \end{macro}

+%

+% The macro |\test@vrtx@fivehi| is used to test the presence of 

+% a hetero atom or a spiro substituent on a vertex of the 

+% fiveheteroh nucleus. 

+%

+% \begin{macro}{\test@vrtx@fivehi}

+%    \begin{macrocode}

+\def\test@vrtx@fivehi#1{%

+\@forsemicol\member:=#1\do{%

+\ifx\member\empty\else

+\expandafter\@m@mb@r\member;\relax%

+\expandafter\twoch@r\@membera{}%

+\ifcase\@tmpa%

+ \or \if\@tmpb s\relax\def\ddd{}\else\def\ddd{@}\fi

+ \or \if\@tmpb s\relax\def\ccc{}\else\def\ccc{@}\fi

+ \or \if\@tmpb s\relax\def\bbb{}\else\def\bbb{@}\fi

+ \or \if\@tmpb s\relax\def\fff{}\else\def\fff{@}\fi

+ \or \if\@tmpb s\relax\def\eee{}\else\def\eee{@}\fi

+ \or \if\@tmpb s\relax\def\aaa{}\else\def\aaa{@}\fi% dummy

+\fi\fi}%

+}% end of \test@vrtx@sixhi

+%    \end{macrocode}

+% \end{macro}

+%

+% \subsection{Inverse horizontal type}

+%

+% The standard skeleton of a five-membered heterocycle of inverse type 

+% is selected to have the following locant numbers. 

+%

+% \begin{verbatim}

+% *******************************

+% * fivehetero derivatives      *

+% *  (horizontal type, inverse) *

+% *******************************

+% The following numbering is adopted in this macro. 

+%

+%                       2  -----  3

+%                        *       |

+% the original point 1 *         |

+%                        *       |

+%                           _____|

+%                        5        4

+% \end{verbatim}

+%

+% The macro |\fiveheterohi| has two arguments |ATOMLIST| and |SUBSLIST| 

+% as well as an optional argument |BONDLIST|.  

+% Two optional arguments |SKBONDLIST| and |OMIT| are added to 

+% treat stereochemical information or other bond situations. 

+%

+% \begin{verbatim}

+%   \fiveheterohi(SKBONDLIST)[BONDLIST]{ATOMLIST}{SUBSLIST}[OMIT]

+% \end{verbatim}

+%

+% The |SKBONDLIST| argument contains pairs of two alphabets in 

+% parentheses, e.g. (\{bA\}\{fB\}).  Each pair contains a lowercase 

+% character selected from bond specifiers `a' to `e' and a uppercase

+% character `A' or `B'. 

+%

+% The |BONDLIST| argument contains one 

+% character selected from a to e, each of which indicates the presence of 

+% an inner (endcyclic) double bond on the corresponding position. 

+% The option `A' represents an aromatic circle. The option 

+% `$n+$' ($n=1$ to $5$) represents a plus charge on a hetero atom 

+% at the $n$-position. The option 

+% `$0+$' represents a plus charge at the center of the ring. 

+%

+% \begin{verbatim}

+%  

+%     BONDLIST: list of inner double bonds 

+%

+%           a          :  1,2-double bond

+%           b          :  2,3-double bond

+%           c          :  4,3-double bond

+%           d          :  4,5-double bond

+%           e          :  5,1-double bond

+%           A          :  aromatic circle

+%           {n+}       :  plus at the n-nitrogen atom (n = 1 to 5)

+%           {0+}       :  plus (or others) at the center

+% \end{verbatim}

+%

+% The |ATOMLIST| argument contains one or more heteroatom descriptors 

+% which are separated from each other by a semicolon.  Each heteroatom 

+% descriptor consists of a locant number and a heteroatom, 

+% where these are separated with a double equality symbol. 

+%

+% \begin{verbatim}

+%     ATOMLIST: list of heteroatoms (max 5 atoms)

+%

+%       for n = 1 to 5

+%

+%           n          : Hetero atom, e.g. N, O, etc. at n-position

+%                        e.g. 1==N for N at 1-position

+% \end{verbatim}

+%

+% The |SUBSLIST| argument contains one or more substitution descriptors 

+% which are separated from each other by a semicolon.  Each substitution 

+% descriptor has a locant number with a bond modifier and a substituent, 

+% where these are separated with a double equality symbol. 

+%

+% \begin{verbatim}

+%     SUBSLIST: list of substituents

+%

+%       for n = 1 to 5 

+%

+%           nD         :  exocyclic double bond at n-atom

+%           n or nS    :  exocyclic single bond at n-atom

+%           nA         :  alpha single bond at n-atom

+%           nB         :  beta single bond at n-atom

+%           nSA        :  alpha single bond at n-atom (boldface)

+%           nSB        :  beta single bond at n-atom (dotted line)

+%           nSa        :  alpha (not specified) single bond at n-atom

+%           nSb        :  beta (not specified) single bond at n-atom

+%

+%           nSd        :  alpha single bond at n-atom (dotted line) 

+%                           with an alternative direction to nSA 

+%           nSu        :  beta single bond at n-atom (boldface) 

+%                           with an alternative direction to nSB 

+%           nFA        :  alpha single bond at n-atom (dotted line) 

+%                           for ring fusion 

+%           nFB        :  beta single bond at n-atom (boldface) 

+%                           for ring fusion 

+%           nGA        :  alpha single bond at n-atom (dotted line) 

+%                           for the other ring fusion 

+%           nGB        :  beta single bond at n-atom (boldface) 

+%                           for the other ring fusion 

+% \end{verbatim}

+%

+% The argument |OMIT| represents one or more bonds to be omitted. 

+% The omitted edges may be regarded as both fused and non-fused 

+% positions. 

+%

+% \begin{verbatim}

+%     OMIT:  one or more bonds omitted (a, b, c, d, or e)

+% \end{verbatim}

+%

+% Several examples are shown as follows.

+% \begin{verbatim}

+%       e.g. 

+%        

+%        \fiveheterohi{1==N}{1==H;2==F}

+%        \fiveheterohi[c]{1==N}{1==Cl;4==F;2==CH$_{3}$}

+%        \fiveheterohi[eb]{1==N}{1D==O;4SA==MeO;4SB==OMe;5==Cl;6==Cl}

+% \end{verbatim}

+%

+% The definition of |\fiveheterohi| uses a picture environment and 

+% consists of the same unit processes as shown in |\sixheteroh|: 

+% \begin{enumerate}

+% \item treatment of atom list, 

+% \item placing outer skeletons, 

+% \item placing inner double bonds, 

+% \item setting hetero atoms, and 

+% \item placing substituents by |\setsixringh| partially. 

+% \end{enumerate}

+% \changes{v1.02}{1998/10/31}{Adding \cs{ylpositionh}, \cs{if@ylsw},

+% \cs{yl@shifti}, \cs{@ylii}, \cs{yl@shiftii}, \cs{@ylii}, 

+% \cs{yl@xdiff} and \cs{yl@ydiff}}

+% \changes{v2.00}{1998/12/5}{Add: fused and spiro rings}

+%

+% \begin{macro}{\fiveheterohi}

+% \begin{macro}{\@five@heterohi}

+% \begin{macro}{\@five@@heterohi}

+% \begin{macro}{\@fiveheterohi}

+%    \begin{macrocode}

+\def\fiveheterohi{\@ifnextchar({\@five@heterohi(@}{\@five@heterohi(@)}}

+\def\@five@heterohi(#1){\@ifnextchar[{\@five@@heterohi(#1)[@}%

+{\@five@@heterohi(#1)[@]}}

+\def\@five@@heterohi(#1)[#2]#3#4{\@ifnextchar[%

+{\@fiveheterohi(#1)[#2]{#3}{#4}[@}%

+{\@fiveheterohi(#1)[#2]{#3}{#4}[@]}}

+\def\@fiveheterohi(#1)[#2]#3#4[#5]{%

+\iniatom\iniflag%initialize

+%    \end{macrocode}

+%

+%    \begin{macrocode}

+% %%%%%%%%%%%%%%%%%%%%%%%%%%

+% % treatment of atom list %

+% %%%%%%%%%%%%%%%%%%%%%%%%%%

+\test@vertix@sixv{#3}{a}{b}{c}{e}{f}{d}%d--dummy

+\@reset@ylsw%

+\ylpositionh{#4}{0}{0}{4}{0}%              % for 1 to 3

+\if@ylsw \ifx\@@ylii\empty

+\def\@@ylii{0}\def\@@yli{0}\fi

+\else

+\ylpositionh{#4}{1}{4}{7}{0}%              % for 4 to 5

+\fi

+\if@ylsw \ifx\@@ylii\empty

+\def\@@ylii{0}\def\@@yli{0}\fi

+\fi

+\if@ylsw

+ \yl@shiftii=\@ylii

+ \yl@shifti=\@yli

+ \advance\yl@shiftii\@@ylii

+ \advance\yl@shifti\@@yli

+ \advance\yl@shiftii\yl@xdiff

+ \advance\yl@shifti\yl@ydiff

+ \begin{picture}(0,0)(-\yl@shiftii,-\yl@shifti)

+ \reset@yl@xydiff%1999/1/6 by S. Fujita

+\else

+\begin{picture}(800,880)(-240,-400)%

+  \iforigpt \put(-\shifti,-\shiftii){\circle*{50}}%

+           \put(-\noshift,-\noshift){\circle{50}}% 

+   \typeout{command `fiveheterohi' origin: %

+    (\the\noshift,\the\noshift) ---> (\the\shifti,\the\shiftii)}\fi%

+\fi

+%    \end{macrocode}

+%

+%    \begin{macrocode}

+% %%%%%%%%%%%%%%%%%%

+% % outer skeleton %

+% %%%%%%%%%%%%%%%%%%

+{\resetbdsw%

+\@bond@@omit{#5}%

+\set@skel@bondh{#1}{a}{a}% bond between 1 and 2 \@aaa -> \hskbonda etc

+\set@skel@bondh{#1}{b}{b}% bond between 2 and 3 \@bbb -> \hskbondb etc

+\set@skel@longbond{#1}{c}{hskbondverti}%

+      % bond between 3 and 4 \@ccc -> \hskbondverti etc

+\set@skel@bondh{#1}{d}{e}% bond between 4 and 5 \@ddd -> \hskbonde etc

+\set@skel@bondh{#1}{e}{f}% bond between 5 and 6 \@eee -> \hskbondf etc

+}%

+%    \end{macrocode}

+%

+%    \begin{macrocode}

+% %%%%%%%%%%%%%%%%%%%%%

+% % inner double bond %

+% %%%%%%%%%%%%%%%%%%%%%

+\@tfor\member:=#2\do{%

+\if\member r%

+\else \if\member a\relax \hbonda%

+\else \if\member b\relax \hbondb%

+\else \if\member c\relax \hbondverti%

+\else \if\member d\relax \hbonde%

+\else \if\member e\relax \hbondf%

+\else \if\member A%left aromatic circle 

+  \put(173,0){\circle{180}}%               %circle

+\else 

+    \expandafter\twoCH@@R\member//%

+    \set@fusionadd@fivehi

+\fi\fi\fi\fi\fi\fi\fi}%

+%    \end{macrocode}

+%

+%    \begin{macrocode}

+% %%%%%%%%%%%%%%%%%%%%%%%%

+% % setting hetero atoms %

+% %%%%%%%%%%%%%%%%%%%%%%%%

+\set@hetatom@sixh{#3}{0}{0}{4}{0}%              % for 1 to 3

+\set@hetatom@sixh{#3}{1}{4}{7}{0}%              % for 4 to 5

+%    \end{macrocode}

+%

+%    \begin{macrocode}

+% %%%%%%%%%%%%%%%%%%%%%%%%

+% % setting substituents %

+% %%%%%%%%%%%%%%%%%%%%%%%%

+\setsixringh{#4}{0}{0}{4}{0}%              % for 1 to 3

+\setsixringh{#4}{1}{4}{7}{0}%              % for 4 to 5

+\end{picture}\iniatom\iniflag}%         %end of \fiveheterohi macro

+%    \end{macrocode}

+% \end{macro}

+% \end{macro}

+% \end{macro}

+% \end{macro}

+%

+% \subsection{Pyrrole derivatives of horizontal type}

+%

+% The macro |\fiveheteroh| can be used in the 

+% form of a fixed |ATOMLIST|.  Hence, the resulting commands for 

+% drawing a five-membered heterocyle with one or more nitrogen atoms 

+% have an argument |SUBSLIST| as well as an optional argument |BONDLIST|.  

+%

+% \begin{verbatim}

+% ***********************************

+% * pyrrole derivatives  and others *

+% *  (horizontal type)              *

+% ***********************************

+%

+%   \pyrroleh[BONDLIST]{SUBSLIST}

+%   \pyrazoleh[BONDLIST]{SUBSLIST}

+%   \imidazoleh[BONDLIST]{SUBSLIST}

+%   \isoxazoleh[BONDLIST]{SUBSLIST}

+%   \oxazoleh[BONDLIST]{SUBSLIST}

+% \end{verbatim}

+%

+% The |BONDLIST| argument contains one 

+% character selected from a to e, each of which indicates the presence of 

+% an inner (endcyclic) double bond on the corresponding position. 

+% The option 

+% `$n+$' ($n=1$ to $5$) represents a plus charge on a hetero atom 

+% at the $n$-position. 

+%

+% \begin{verbatim}

+%     BONDLIST: list of inner double bonds 

+%

+%           none       :  mother nucleus

+%           []         :  fully saturated form

+%           a          :  1,2-double bond

+%           b          :  2,3-double bond

+%           c          :  4,3-double bond

+%           d          :  4,5-double bond

+%           e          :  5,1-double bond

+%           {n+}       :  plus at the n-nitrogen atom (n = 1 to 5)

+% \end{verbatim}

+%

+% The |SUBSLIST| argument contains one or more substitution descriptors 

+% which are separated from each other by a semicolon.  Each substitution 

+% descriptor has a locant number with a bond modifier and a substituent, 

+% where these are separated with a double equality symbol. 

+%

+% \begin{verbatim}

+%     SUBSLIST: list of substituents

+%

+%       for n = 1 to 5 

+%

+%           nD         :  exocyclic double bond at n-atom

+%           n or nS    :  exocyclic single bond at n-atom

+%           nA         :  alpha single bond at n-atom

+%           nB         :  beta single bond at n-atom

+%           nSA        :  alpha single bond at n-atom (boldface)

+%           nSB        :  beta single bond at n-atom (dotted line)

+%           nSa        :  alpha (not specified) single bond at n-atom

+%           nSb        :  beta (not specified) single bond at n-atom

+%

+%           nSd        :  alpha single bond at n-atom (dotted line) 

+%                           with an alternative direction to nSA 

+%           nSu        :  beta single bond at n-atom (boldface) 

+%                           with an alternative direction to nSB 

+%           nFA        :  alpha single bond at n-atom (dotted line) 

+%                           for ring fusion 

+%           nFB        :  beta single bond at n-atom (boldface) 

+%                           for ring fusion 

+%           nGA        :  alpha single bond at n-atom (dotted line) 

+%                           for the other ring fusion 

+%           nGB        :  beta single bond at n-atom (boldface) 

+%                           for the other ring fusion 

+% \end{verbatim}

+%

+% Several examples are shown as follows.

+% \begin{verbatim}

+%       e.g. 

+%        

+%        \pyrroleh{1==H;2==F}

+%        \pyrroleh[]{1==H;2==F}

+%        \imidazoleh[c]{1==Cl;4==F;2==CH$_{3}$}

+%        \isoxazoleh[eb]{1==N}{1D==O;4SA==MeO;4SB==OMe;5==Cl;6==Cl}

+% \end{verbatim}

+%

+% \begin{macro}{\pyrroleh}

+% \begin{macro}{\pyrazoleh}

+% \begin{macro}{\imidazoleh}

+% \begin{macro}{\isoxazoleh}

+% \begin{macro}{\oxazoleh}

+%    \begin{macrocode}

+\def\pyrroleh{\@ifnextchar[{\@pyrroleh[@}{\@pyrroleh[bd]}}%

+\def\@pyrroleh[#1]#2{%

+\iforigpt \typeout{command `pyrroleh' %

+ is based on `fiveheteroh'.}\fi%

+\fiveheteroh[#1]{1==N}{#2}}%

+\def\pyrazoleh{\@ifnextchar[{\@pyrazoleh[@}{\@pyrazoleh[bd]}}%

+\def\@pyrazoleh[#1]#2{%

+\iforigpt \typeout{command `pyrazoleh' %

+ is based on `fiveheteroh'.}\fi%

+\fiveheteroh[#1]{1==N;2==N}{#2}}%

+\def\imidazoleh{\@ifnextchar[{\@imidazoleh[@}{\@imidazoleh[bd]}}%

+\def\@imidazoleh[#1]#2{%

+\iforigpt \typeout{command `imidazoleh' %

+ is based on `fiveheteroh'.}\fi%

+\fiveheteroh[#1]{1==N;3==N}{#2}}%

+\def\isoxazoleh{\@ifnextchar[{\@isoxazoleh[@}{\@isoxazoleh[bd]}}%

+\def\@isoxazoleh[#1]#2{%

+\iforigpt \typeout{command `isoxazoleh' %

+ is based on `fiveheteroh'.}\fi%

+\fiveheteroh[#1]{1==O;2==N}{#2}}%

+\def\oxazoleh{\@ifnextchar[{\@oxazoleh[@}{\@oxazoleh[bd]}}%

+\def\@oxazoleh[#1]#2{%

+\iforigpt \typeout{command `oxazoleh' %

+ is based on `fiveheteroh'.}\fi%

+\fiveheteroh[#1]{1==O;3==N}{#2}}%

+%    \end{macrocode}

+% \end{macro}

+% \end{macro}

+% \end{macro}

+% \end{macro}

+% \end{macro}

+%

+% \begin{macro}{\furanh}

+% \begin{macro}{\thiopheneh}

+%    \begin{macrocode}

+\def\furanh{\@ifnextchar[{\@furanh[@}{\@furanh[bd]}}

+\def\@furanh[#1]#2{%

+\iforigpt \typeout{command `furanh' %

+  is based on `fiveheteroh'.}\fi%

+\fiveheteroh[#1]{1==O}{#2}}

+\def\thiopheneh{\@ifnextchar[{\@thiopheneh[@}{\@thiopheneh[bd]}}

+\def\@thiopheneh[#1]#2{%

+\iforigpt \typeout{command `thiopheneh' %

+  is based on `fiveheteroh'.}\fi%

+\fiveheteroh[#1]{1==S}{#2}}

+%    \end{macrocode}

+% \end{macro}

+% \end{macro}

+%

+% \subsection{Pyrrole derivatives of inverse horizontal type}

+%

+% The macro |\fiveheterohi| can be used in the 

+% form of a fixed |ATOMLIST|.  Hence, the resulting commands for 

+% drawing a five-membered heterocyle with one or more nitrogen atoms 

+% have an argument |SUBSLIST| as well as an optional argument |BONDLIST|.  

+%

+% \begin{verbatim}

+% *************************************

+% * pyrrole derivatives  and others   *

+% *  (horizontal type, inverse)       *

+% *************************************

+%

+%   \pyrrolehi[BONDLIST]{SUBSLIST}

+%   \pyrazolehi[BONDLIST]{SUBSLIST}

+%   \imidazolehi[BONDLIST]{SUBSLIST}

+%   \isoxazolehi[BONDLIST]{SUBSLIST}

+%   \oxazolehi[BONDLIST]{SUBSLIST}

+% \end{verbatim}

+%

+% The |BONDLIST| argument contains one 

+% character selected from a to e, each of which indicates the presence of 

+% an inner (endcyclic) double bond on the corresponding position. 

+% The option 

+% `$n+$' ($n=1$ to $5$) represents a plus charge on a hetero atom 

+% at the $n$-position. 

+%

+% \begin{verbatim}

+%     BONDLIST: list of inner double bonds 

+%

+%           none       :  mother nucleus

+%           []         :  fully saturated form

+%           a          :  1,2-double bond

+%           b          :  2,3-double bond

+%           c          :  4,3-double bond

+%           d          :  4,5-double bond

+%           e          :  5,1-double bond

+%           {n+}       :  plus at the n-nitrogen atom (n = 1 to 5)

+% \end{verbatim}

+%

+% The |SUBSLIST| argument contains one or more substitution descriptors 

+% which are separated from each other by a semicolon.  Each substitution 

+% descriptor has a locant number with a bond modifier and a substituent, 

+% where these are separated with a double equality symbol. 

+%

+% \begin{verbatim}

+%     SUBSLIST: list of substituents

+%

+%       for n = 1 to 5 

+%

+%           nD         :  exocyclic double bond at n-atom

+%           n or nS    :  exocyclic single bond at n-atom

+%           nA         :  alpha single bond at n-atom

+%           nB         :  beta single bond at n-atom

+%           nSA        :  alpha single bond at n-atom (boldface)

+%           nSB        :  beta single bond at n-atom (dotted line)

+%           nSa        :  alpha (not specified) single bond at n-atom

+%           nSb        :  beta (not specified) single bond at n-atom

+%

+%           nSd        :  alpha single bond at n-atom (dotted line) 

+%                           with an alternative direction to nSA 

+%           nSu        :  beta single bond at n-atom (boldface) 

+%                           with an alternative direction to nSB 

+%           nFA        :  alpha single bond at n-atom (dotted line) 

+%                           for ring fusion 

+%           nFB        :  beta single bond at n-atom (boldface) 

+%                           for ring fusion 

+%           nGA        :  alpha single bond at n-atom (dotted line) 

+%                           for the other ring fusion 

+%           nGB        :  beta single bond at n-atom (boldface) 

+%                           for the other ring fusion 

+% \end{verbatim}

+%

+% Several examples are shown as follows.

+% \begin{verbatim}

+%       e.g. 

+%        

+%        \pyrrolehi{1==H;2==F}

+%        \pyrrolehi[]{1==H;2==F}

+%        \imidazolehi[c]{1==Cl;4==F;2==CH$_{3}$}

+%        \isoxazolehi[eb]{1==N}{1D==O;4SA==MeO;4SB==OMe;5==Cl}

+% \end{verbatim}

+%

+% \begin{macro}{\pyrrolehi}

+% \begin{macro}{\pyrazolehi}

+% \begin{macro}{\imidazolehi}

+% \begin{macro}{\isoxazolehi}

+% \begin{macro}{\oxazolehi}

+%    \begin{macrocode}

+\def\pyrrolehi{\@ifnextchar[{\@pyrrolehi[@}{\@pyrrolehi[bd]}}%

+\def\@pyrrolehi[#1]#2{%

+\iforigpt \typeout{command `pyrrolehi' %

+ is based on `fiveheterohi'.}\fi%

+\fiveheterohi[#1]{1==N}{#2}}%

+\def\pyrazolehi{\@ifnextchar[{\@pyrazolehi[@}{\@pyrazolehi[bd]}}%

+\def\@pyrazolehi[#1]#2{%

+\iforigpt \typeout{command `pyrazolehi' %

+ is based on `fiveheterohi'.}\fi%

+\fiveheterohi[#1]{1==N;2==N}{#2}}%

+\def\imidazolehi{\@ifnextchar[{\@imidazolehi[@}{\@imidazolehi[bd]}}%

+\def\@imidazolehi[#1]#2{%

+\iforigpt \typeout{command `imidazolehi' %

+ is based on `fiveheterohi'.}\fi%

+\fiveheterohi[#1]{1==N;3==N}{#2}}%

+\def\isoxazolehi{\@ifnextchar[{\@isoxazolehi[@}{\@isoxazolehi[bd]}}%

+\def\@isoxazolehi[#1]#2{%

+\iforigpt \typeout{command `isoxazolehi' %

+ is based on `fiveheterohi'.}\fi%

+\fiveheterohi[#1]{1==O;2==N}{#2}}%

+\def\oxazolehi{\@ifnextchar[{\@oxazolehi[@}{\@oxazolehi[bd]}}%

+\def\@oxazolehi[#1]#2{%

+\iforigpt \typeout{command `oxazolehi' %

+ is based on `fiveheterohi'.}\fi%

+\fiveheterohi[#1]{1==O;3==N}{#2}}%

+%    \end{macrocode}

+% \end{macro}

+% \end{macro}

+% \end{macro}

+% \end{macro}

+% \end{macro}

+%

+% \begin{macro}{\furanhi}

+% \begin{macro}{\thiophenehi}

+%    \begin{macrocode}

+\def\furanhi{\@ifnextchar[{\@furanhi[@}{\@furanhi[bd]}}

+\def\@furanhi[#1]#2{%

+\iforigpt \typeout{command `furanhi' %

+  is based on `fiveheterohi'.}\fi%

+\fiveheterohi[#1]{1==O}{#2}}

+\def\thiophenehi{\@ifnextchar[{\@thiophenehi[@}{\@thiophenehi[bd]}}

+\def\@thiophenehi[#1]#2{%

+\iforigpt \typeout{command `thiophenehi' %

+  is based on `fiveheterohi'.}\fi%

+\fiveheterohi[#1]{1==S}{#2}}

+%    \end{macrocode}

+% \end{macro}

+% \end{macro}

+%

+% \section{Six-to-six fused heterocyles}

+% \subsection{Horizontal type}

+%

+% The standard skeleton of a six-to-six fused heterocycle is selected 

+% to have the following locant numbers. 

+%

+% \begin{verbatim}

+% ****************************

+% * decahetero derivatives   *

+% *  (horizontal type)       *

+% ****************************

+% The following numbering is adopted in this macro. 

+%

+%           2   3

+%

+%      *1          4           (*1 origin)

+%

+%      (10)8a   4a(9)

+%

+%       8          5

+%

+%           7   6

+%   ____                     ____

+%  |cf.                          |

+%  |        8 (10)1              |

+%  |        *  8a *              |

+%  |   7  *   * *   *  2         |

+%  |     |     |     |           |

+%  |     |     |     |           |

+%  |   6  *   * *   *  3         |

+%  |        *  4a *              |

+%  |        5 (9) 4              |

+%  |        ^                    |

+%  |        |                    |

+%  |        the original point   |

+%  |____                     ____|

+% \end{verbatim}

+%

+% The macro |\decaheteroh| has two arguments |ATOMLIST| and |SUBSLIST| 

+% as well as an optional argument |BONDLIST|.  

+% Two optional arguments |SKBONDLIST| and |OMIT| are added to 

+% treat stereochemical information or other bond situations. 

+%

+% \begin{verbatim}

+%   \decaheteroh(SKBONDLIST)[BONDLIST]{ATOMLIST}{SUBSLIST}[OMIT]

+% \end{verbatim}

+%

+% The |SKBONDLIST| argument contains pairs of two alphabets in 

+% parentheses, e.g. (\{bA\}\{fB\}).  Each pair contains a lowercase 

+% character selected from bond specifiers `a' to `k' and a uppercase

+% character `A' or `B'. 

+%

+% The |BONDLIST| argument contains one 

+% character selected from a to k, each of which indicates the presence of 

+% an inner (endcyclic) double bond on the corresponding position. 

+% The option `A' and `B' represent aromatic circles. The option 

+% `$n+$' ($n=1$ to $10$) represents a plus charge on a hetero atom 

+% at the $n$-position. 

+%

+% \begin{verbatim}

+%     BONDLIST:  list of bonds 

+%

+%           none or r  :  decahetero (right-handed)

+%           l          :  no action

+%           []         :  fully saturated form

+%           a    :  1,2-double bond      b    :  2,3-double bond

+%           c    :  4,3-double bond      d    :  4,4a-double bond

+%           e    :  4a,5-double bond     f    :  5,6-double bond

+%           g    :  6,7-double bond      h    :  7,8-double bond

+%           i    :  8,8a-double bond     j    :  1,8a-double bond

+%           k    :  4a,8a-double bond

+%           K    :  4a,8a-double bond in the other ring

+%           A    :  aromatic circle      B    :  aromatic circle

+%           {n+}       :  plus at the n-nitrogen atom (n = 1 to 10)

+% \end{verbatim}

+%

+% The |ATOMLIST| argument contains one or more heteroatom descriptors 

+% which are separated from each other by a semicolon.  Each heteroatom 

+% descriptor consists of a locant number and a heteroatom, 

+% where these are separated with a double equality symbol. 

+%

+% \begin{verbatim}

+%     ATOMLIST: list of heteroatoms (max 10 atoms)

+%

+%       for n = 1 to 8

+%

+%            n         : Hetero atom, e.g. N, O, etc. at n-position

+%                        e.g. 1==N for N at 1-position

+%            na        : Hetero atom at 4a or 8b (n=4 or 8)

+%                        e.g. 4a==N (or 9==N) for N at 4a-position

+%                             8a==N (or {{10}}==N) for N at 8a-position

+% \end{verbatim}

+%

+% The |SUBSLIST| argument contains one or more substitution descriptors 

+% which are separated from each other by a semicolon.  Each substitution 

+% descriptor has a locant number with a bond modifier and a substituent, 

+% where these are separated with a double equality symbol. 

+%

+% \begin{verbatim}

+%     SUBSLIST: list of substituents

+%

+%       for n = 1 to 8

+%

+%           nD         :  exocyclic double bond at n-atom

+%           n or nS    :  exocyclic single bond at n-atom

+%           nA         :  alpha single bond at n-atom

+%           nB         :  beta single bond at n-atom

+%           nSA        :  alpha single bond at n-atom (boldface)

+%           nSB        :  beta single bond at n-atom (dotted line)

+%           nSa        :  alpha (not specified) single bond at n-atom

+%           nSb        :  beta (not specified) single bond at n-atom

+%

+%           nSd        :  alpha single bond at n-atom (dotted line) 

+%                           with an alternative direction to nSA 

+%           nSu        :  beta single bond at n-atom (boldface) 

+%                           with an alternative direction to nSB 

+%           nFA        :  alpha single bond at n-atom (dotted line) 

+%                           for ring fusion 

+%           nFB        :  beta single bond at n-atom (boldface) 

+%                           for ring fusion 

+%           nGA        :  alpha single bond at n-atom (dotted line) 

+%                           for the other ring fusion 

+%           nGB        :  beta single bond at n-atom (boldface) 

+%                           for the other ring fusion 

+%

+%       for 9 (4a position) and 10 (8a position)

+%

+%           nD         :  exocyclic double bond at n-atom

+%           n or nS    :  exocyclic single bond at n-atom

+%           nA         :  alpha single bond at n-atom

+%           nB         :  beta single bond at n-atom

+% \end{verbatim}

+%

+% The argument |OMIT| represents one or more bonds to be omitted. 

+% The omitted edges may be regarded as both fused and non-fused 

+% positions. 

+%

+% \begin{verbatim}

+%     OMIT:  one or more bonds omitted (a to k; see BONDLIST)

+% \end{verbatim}

+%

+% Several examples are shown as follows.

+% \begin{verbatim}

+%       e.g. 

+%        

+%        \decaheteroh{1==N}{1==Cl;2==F}

+%        \decaheteroh[c]{1==N}{1==Cl;4==F;2==CH$_{3}$}

+%        \decaheteroh[eb]{1==N}{1D==O;4SA==MeO;4SB==OMe;5==Cl;6==Cl}

+% \end{verbatim}

+%

+% The definition of |\decaheteroh| uses a picture environment and 

+% consists of the same unit processes as shown in |\sixheterov|: 

+% \begin{enumerate}

+% \item treatment of atom list, 

+% \item placing outer skeletons, 

+% \item placing inner double bonds, 

+% \item setting hetero atoms, and 

+% \item placing substituents by using |\setsixringh| several times. 

+% \end{enumerate}

+% \changes{v1.02}{1998/10/31}{Adding \cs{ylposition}, \cs{if@ylsw},

+% \cs{yl@shifti}, \cs{@ylii}, \cs{yl@shiftii}, \cs{@ylii}, 

+% \cs{yl@xdiff} and \cs{yl@ydiff}}

+% \changes{v2.00}{1998/11/30}{Add: spiro and fused rings}

+%

+% \begin{macro}{\decaheteroh}

+% \begin{macro}{\@deca@heteroh}

+% \begin{macro}{\@deca@@heteroh}

+% \begin{macro}{\@decaheteroh}

+%    \begin{macrocode}

+\def\decaheteroh{\@ifnextchar({\@deca@heteroh(@}{\@deca@heteroh(@)}}

+\def\@deca@heteroh(#1){\@ifnextchar[{\@deca@@heteroh(#1)[@}%

+{\@deca@@heteroh(#1)[@]}}

+\def\@deca@@heteroh(#1)[#2]#3#4{\@ifnextchar[%

+{\@decaheteroh(#1)[#2]{#3}{#4}[@}%

+{\@decaheteroh(#1)[#2]{#3}{#4}[@]}}

+\def\@decaheteroh(#1)[#2]#3#4[#5]{%

+%    \end{macrocode}

+%

+%    \begin{macrocode}

+% %%%%%%%%%%%%%%%%%%%%%%%%%%

+% % treatment of atom list %

+% %%%%%%%%%%%%%%%%%%%%%%%%%%

+\iniflag\iniatom%

+\test@vertix@sixv{#3}{a}{b}{c}{d}{e}{f}%

+\test@vertix@decav{#3}{g}{h}{i}{j}{@}{@}%

+% %%%%%%%%%%%%%%%%%%%%%%%

+% % adjustment for (yl) %

+% %%%%%%%%%%%%%%%%%%%%%%%

+\@reset@ylsw%

+\ylhetpositionh{#4}{0}{0}{5}{0}% %substituents on 1 to 4

+\if@ylsw \ifx\@@ylii\empty

+\def\@@ylii{0}\def\@@yli{0}\fi

+\else

+{\let\ddd=\eee\let\eee=\fff\let\fff=\ggg

+\ylhetpositionh{#4}{-1}{3}{7}{0}% %substituents on 5 to 7

+}%

+\fi

+\if@ylsw \ifx\@@ylii\empty

+\def\@@ylii{0}\def\@@yli{342}\fi

+\else

+{\let\aaa=\hhh

+\ylhetpositionh{#4}{-7}{0}{2}{0}% %substituent on 8

+}%

+\fi

+\if@ylsw \ifx\@@ylii\empty

+\def\@@ylii{0}\def\@@yli{342}\fi

+\else

+{%

+\clipdetection%

+\@clipfusefalse \if@iclip \@clipfusetrue \fi%

+\ylatombondposition{#4}{-8}{4}%   %9 for 4a position

+}%

+\fi

+\if@ylsw \ifx\@@ylii\empty

+\def\@@ylii{-303}\def\@@yli{171}\fi

+\else

+{%

+\clipdetection%

+\@clipfusefalse \if@jclip \@clipfusetrue \fi%

+\ylatombondposition{#4}{-9}{10}% %10 for 8a position

+}%

+\fi

+\if@ylsw \ifx\@@ylii\empty

+\def\@@ylii{-103}\def\@@yli{171}\fi

+\fi

+\if@ylsw

+ \yl@shiftii=\@ylii

+ \yl@shifti=\@yli

+ \advance\yl@shiftii\@@ylii

+ \advance\yl@shifti\@@yli

+ \advance\yl@shiftii\yl@xdiff

+ \advance\yl@shifti\yl@ydiff

+ \begin{picture}(0,0)(-\yl@shiftii,-\yl@shifti)

+ \reset@yl@xydiff%1999/1/6 by S. Fujita

+\else

+\begin{picture}(1200,1200)(-400,-800)

+  \iforigpt \put(-\shiftii,-\shiftiii){\circle*{50}}%

+           \put(-\noshift,-\noshift){\circle{50}}% 

+   \typeout{command `decaheteroh' origin: %

+    (\the\noshift,\the\noshift) ---> (\the\shiftii,\the\shiftiii)}\fi%

+\fi

+%    \end{macrocode}

+%

+%    \begin{macrocode}

+% %%%%%%%%%%%%%%%%%%

+% % outer skeleton %

+% %%%%%%%%%%%%%%%%%%

+\begingroup

+\resetbdsw%

+\@bond@@omit{#5}%

+{\let\fff=\jjj \let\eee=\iii%

+\set@skel@bondh{#1}{a}{a}% bond between 1 and 2 \@aaa -> \hskbonda etc

+\set@skel@bondh{#1}{b}{b}% bond between 2 and 3 \@bbb -> \hskbondb etc

+\set@skel@bondh{#1}{c}{c}% bond between 3 and 4 \@ccc -> \hskbondc etc

+\set@skel@bondh{#1}{d}{d}% bond between 4 and 5 \@ddd -> \skbondd etc

+\set@skel@bondh{#1}{k}{e}% bond between 7 and 8 \@kkk -> \skbonde etc

+\set@skel@bondh{#1}{j}{f}% bond between 7 and 8 \@jjj -> \skbondf etc

+}%

+{\let\aaa=\hhh \let\ddd=\eee\let\eee=\fff\let\fff=\ggg%

+ \let\ccc=\iii\let\bbb=\jjj%

+\put(0,-342){\set@skel@bondh{#1}{i}{a}}%

+  % bond between 8a and 8 \@iii -> \hskbonda etc

+\put(0,-342){\set@skel@bondh{#1}{e}{c}}%

+  % bond between 4a and 5 \@eee -> \hskbondc etc

+\put(0,-342){\set@skel@bondh{#1}{f}{d}}%

+  % bond between 5 and 6 \@fff -> \hskbondd etc

+\put(0,-342){\set@skel@bondh{#1}{g}{e}}%

+  % bond between 6 and 7 \@ggg -> \hskbonde etc

+\put(0,-342){\set@skel@bondh{#1}{h}{f}}%

+  % bond between 7 and 8 \@hhh -> \hskbondf etc

+}%

+\endgroup

+%    \end{macrocode}

+%

+%    \begin{macrocode}

+% %%%%%%%%%%%%%%%%%%%%%

+% % inner double bond %

+% %%%%%%%%%%%%%%%%%%%%%

+\@tfor\member:=#2\do{%

+\if\member r\relax%

+{\let\fff=\jjj \let\eee=\iii%

+ \put(0,0){\hbonda}% bond between 1 and 2%

+ \put(0,0){\hbondc}% bond between 3 and 4%

+}%

+{\let\aaa=\hhh \let\ddd=\eee\let\eee=\fff\let\fff=\ggg%

+ \let\ccc=\iii\let\bbb=\jjj%

+ \put(0,-342){\hbondb}% bond between 8a and 4a

+ \put(0,-342){\hbondf}% bond between 8 and 7

+ \put(0,-342){\hbondd}% bond between 5 and 6

+}%

+\else \if\member l\relax%

+\else \if\member a\relax%

+ \put(0,0){\hbonda}% bond between 1 and 2

+\else \if\member b\relax%

+ \put(0,0){\hbondb}% bond between 2 and 3

+\else \if\member c\relax%

+ \put(0,0){\hbondc}% bond between 3 and 4

+% \put(342,0){\hbondc}% bond between 3 and 4

+\else \if\member d\relax%

+{\let\eee=\iii%

+ \put(0,0){\hbondd}% bond between 4 and 4a

+}%

+\else \if\member e\relax%

+{\let\ccc=\iii \let\ddd=\eee%

+ \put(0,-342){\hbondc}% bond between 5 and 4a

+}%

+\else \if\member f\relax%

+{\let\ddd=\eee \let\eee=\fff%

+ \put(0,-342){\hbondd}% bond between 5 and 6

+}%

+\else \if\member g\relax%

+{\let\eee=\fff \let\fff=\ggg% 

+ \put(0,-342){\hbonde}% bond between 6 and 7

+}%

+\else \if\member h\relax%

+{\let\aaa=\hhh \let\fff=\ggg%

+ \put(0,-342){\hbondf}% bond between 8 and 7

+}%

+\else \if\member i\relax%

+{\let\aaa=\hhh \let\bbb=\jjj%

+ \put(0,-342){\hbonda}% bond between 8 and 8a

+}%

+\else \if\member j\relax%

+{\let\fff=\jjj%

+ \put(0,0){\hbondf}% bond between 1 and 8a

+}%

+\else \if\member k\relax%

+{\let\ccc=\iii\let\bbb=\jjj%

+ \put(0,-342){\hbondb}% bond between 8a and 4a

+}%

+\else \if\member K\relax%

+{\let\eee=\iii\let\fff=\jjj%

+ \put(0,0){\hbonde}% bond between 8a and 4a in the other ring

+}%

+\else \if\member A%left aromatic circle 

+  \put(203,0){\circle{240}}%                %circle

+\else \if\member B%left aromatic circle 

+  \put(203,-342){\circle{240}}%             %circle

+\else

+  \expandafter\twoCH@@R\member//%

+  \def\aax{8a} \def\aay{4a} \def\aaz{10}%

+      \if\@@tmpa 4\relax%

+        \putratom{272}{-18}{\@@tmpb}%       % right type

+      \else\if\@@tmpa 1\relax%

+        \putratom{68}{-18}{\@@tmpb}%        % right type

+      \else\if\@@tmpa 3\relax%

+        \putratom{233}{60}{\@@tmpb}%        % right type

+      \else\if\@@tmpa 2\relax%

+        \putratom{120}{60}{\@@tmpb}%        % right type

+      \else\ifx\@@tmpa\aaz\relax%

+        \putratom{120}{-110}{\@@tmpb}%      % right type

+      \else\ifx\@@tmpa\aax\relax%

+        \putratom{120}{-110}{\@@tmpb}%      % right type

+      \else\ifx\@@tmpa\aay\relax

+        \putratom{233}{-110}{\@@tmpb}%      % right type

+      \else\if\@@tmpa 9\relax%

+        \putratom{233}{-110}{\@@tmpb}%      % right type

+      \else\if\@@tmpa 5\relax%

+        \putratom{272}{-360}{\@@tmpb}%      % right type

+      \else\if\@@tmpa 8\relax%

+        \putratom{68}{-360}{\@@tmpb}%       % right type

+      \else\if\@@tmpa 6\relax%

+        \putratom{233}{-452}{\@@tmpb}%      % right type

+      \else\if\@@tmpa 7\relax%

+        \putratom{120}{-452}{\@@tmpb}%      % right type

+     \fi\fi\fi\fi\fi\fi\fi\fi\fi\fi\fi\fi%

+% ***********************

+% * setting fused rings *

+% ***********************

+   \expandafter\twoCH@R\member//%

+   \set@fusion@decah

+\fi\fi\fi\fi\fi\fi\fi\fi\fi\fi%

+\fi\fi\fi\fi\fi\fi}%

+%    \end{macrocode}

+%

+% \changes{v2.00a}{2000/11/11}{The 

+% \cs{iniflag} command is added to 5- and 8-substitution.}

+%

+%    \begin{macrocode}

+% %%%%%%%%%%%%%%%%%%%%%%%%

+% % setting hetero atoms %

+% %%%%%%%%%%%%%%%%%%%%%%%%

+\iniflag

+\put(0,0){\set@hetatom@sixh{#3}{0}{0}{5}{0}%

+   \if@aclip \global\@acliptrue\fi

+   \if@bclip \global\@bcliptrue\fi

+   \if@cclip \global\@ccliptrue\fi

+   \if@clip \global\@cliptrue\fi}% %substituents on 1 to 4

+\put(0,-342){\iniflag%2000/11/11 by Shinsaku Fujita

+   \set@hetatom@sixh{#3}{-1}{3}{7}{0}%

+   \@gclipfalse \if@fclip \global\@gcliptrue \fi%

+   \@fclipfalse \if@eclip \global\@fcliptrue \fi%

+   \@eclipfalse \if@clip \global\@ecliptrue \fi}%substituents on 5 to 7

+\put(0,-342){\iniflag%2000/11/11 by Shinsaku Fujita

+  \set@hetatom@sixh{#3}{-7}{0}{2}{0}%

+  \@hclipfalse \if@aclip \global\@hcliptrue \fi}%%substituent on 8

+\put(0,0){\set@vrtx@fuseh{#3}%

+  \if@iclip \global\@icliptrue \fi

+  \if@jclip \global\@jcliptrue \fi}% fused positions

+%    \end{macrocode}

+%

+%    \begin{macrocode}

+% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%

+% % setting substituents and exocyclic bonds %

+% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%

+\put(0,0){\setsixringh{#4}{0}{0}{5}{0}}% %substituents on 1 to 4

+{\@clipfalse \if@eclip \@cliptrue \fi%   %substituents on 5 to 7

+ \@eclipfalse \if@fclip \@ecliptrue \fi%

+ \@fclipfalse \if@gclip \@fcliptrue \fi%

+\put(0,-342){\setsixringh{#4}{-1}{3}{7}{0}}%

+}%

+{\@aclipfalse \if@hclip \@acliptrue \fi%   %substituent on 8

+\put(0,-342){\setsixringh{#4}{-7}{0}{2}{0}}%

+}%

+{\@clipfusefalse \if@iclip \@clipfusetrue \fi%

+ \put(303,-171){\setatombond{#4}{-8}{4}}   %9 for 4a position

+}%

+{\@clipfusefalse \if@jclip \@clipfusetrue \fi%

+  \put(103,-171){\setatombond{#4}{-9}{10}} %10 for 8a position

+}%

+\end{picture}\iniatom\iniflag}%      %end of \decaheteroh macro

+%    \end{macrocode}

+% \end{macro}

+% \end{macro}

+% \end{macro}

+% \end{macro}

+%

+% The command |\ylhetpositionh| is used in the |\decaheteroh| command, 

+% giving the sift values for drawing a structure as a substituent. 

+% \changes{v1.02}{1998/10/16}{Newly added command}

+%

+% \begin{macro}{\ylhetpositionh}

+%    \begin{macrocode}

+\def\ylhetpositionh#1#2#3#4#5{%

+\@@ylswfalse%%%\@reset@ylsw

+\@forsemicol\member:=#1\do{%

+\if@@ylsw\else

+\ifx\member\empty\else

+\expandafter\@m@mb@r\member;\relax

+\expandafter\threech@r\@membera{}{}\relax

+\ifx\@memberb\@yl\relax\@@ylswtrue\else\@@ylswfalse\fi

+\if@@ylsw

+\ifnum#5<0\relax%

+\@tmpaa=-\@tmpa\relax \advance\@tmpaa by#2\relax%

+\else\@tmpaa=\@tmpa\relax \advance\@tmpaa by#2\relax\fi

+\ifnum\@tmpaa>#3\relax%

+\ifnum\@tmpaa<#4\relax%

+\ifcase\@tmpaa%0 omit

+ \or

+  \ifx\aaa\empty

+      \gdef\@ylii{0}\gdef\@yli{0}\global\@ylswtrue%\@ylatrue% subst. on 1

+  \else

+      \gdef\@ylii{30}\gdef\@yli{0}\global\@ylswtrue%\@ylatrue% subst. on 1

+  \fi

+ \or

+  \ifx\bbb\empty

+      \gdef\@ylii{-103}\gdef\@yli{-171}\global\@ylswtrue%\@ylbtrue% subst. on 2

+  \else

+      \gdef\@ylii{-73}\gdef\@yli{-223}\global\@ylswtrue%\@ylbtrue% subst. on 2

+  \fi

+ \or

+  \ifx\ccc\empty

+      \gdef\@ylii{-303}\gdef\@yli{-171}\global\@ylswtrue%\@ylctrue% subst. on 3

+  \else

+      \gdef\@ylii{-333}\gdef\@yli{-223}\global\@ylswtrue%\@ylctrue% subst. on 3

+  \fi

+ \or

+  \ifx\ddd\empty

+      \gdef\@ylii{-406}\gdef\@yli{0}\global\@ylswtrue%\@yldtrue% subst. on 4

+   \else

+      \gdef\@ylii{-436}\gdef\@yli{0}\global\@ylswtrue%\@yldtrue% subst. on 4

+   \fi

+ \or

+    \ifx\eee\empty

+     \gdef\@ylii{-303}\gdef\@yli{171}\global\@ylswtrue%\@yletrue% subst. on 5

+    \else

+     \gdef\@ylii{-333}\gdef\@yli{223}\global\@ylswtrue%\@yletrue% subst. on 5

+    \fi

+ \or

+   \ifx\fff\empty

+      \gdef\@ylii{-103}\gdef\@yli{171}\global\@ylswtrue%\@ylftrue% subst. on 6

+     \else

+      \gdef\@ylii{-73}\gdef\@yli{223}\global\@ylswtrue%\@ylftrue% subst. on 6

+     \fi

+\fi%end of ifcase

+\fi\fi\fi\fi\fi}}%

+%    \end{macrocode}

+% \end{macro}

+%

+% \subsection{Inverse horizontal type}

+%

+% The standard skeleton of a six-to-six fused heterocycle is selected 

+% to have the following locant numbers. 

+%

+% \begin{verbatim}

+% ************************************

+% * decahetero derivatives           *

+% *  (horizonatl type, inverse type) *

+% ************************************

+% The following numbering is adopted in this macro. 

+%

+%           3   2

+%

+%      *4          1           (*4 origin)

+%

+%       (8)4a   8a(10)

+%

+%       5          8

+%

+%           6   7

+%   ____                     ____

+%  |cf.                          |

+%  |        5 (9) 4              |

+%  |        *  4a *              |

+%  |   6  *   * *   *  3         |

+%  |     |     |     |           |

+%  |     |     |     |           |

+%  |   7  *   * *   *  2         |

+%  |        *  8a *              |

+%  |        8 (9) 1              |

+%  |        ^                    |

+%  |        |                    |

+%  |        the original point   |

+%  |____                     ____|

+% \end{verbatim}

+%

+% The macro |\decaheterohi| has two arguments |ATOMLIST| and |SUBSLIST| 

+% as well as an optional argument |BONDLIST|.  

+% Two optional arguments |SKBONDLIST| and |OMIT| are added to 

+% treat stereochemical information or other bond situations. 

+%

+% \begin{verbatim}

+%   \decaheterohi(SKBONDLIST)[BONDLIST]{ATOMLIST}{SUBSLIST}[OMIT]

+% \end{verbatim}

+%

+% The |SKBONDLIST| argument contains pairs of two alphabets in 

+% parentheses, e.g. (\{bA\}\{fB\}).  Each pair contains a lowercase 

+% character selected from bond specifiers `a' to `k' and a uppercase

+% character `A' or `B'. 

+%

+% The |BONDLIST| argument contains one 

+% character selected from a to k, each of which indicates the presence of 

+% an inner (endcyclic) double bond on the corresponding position. 

+% The options `A' and `B' represent aromatic circles in two rings. 

+% The option `$n+$' ($n=1$ to $10$) represents a plus charge on a hetero atom 

+% at the $n$-position. 

+%

+% \begin{verbatim}

+%     BONDLIST:  list of bonds 

+%

+%           none or r  :  decahetero (right-handed)

+%           l          :  no action

+%           []         :  fully saturated form

+%           a    :  1,2-double bond      b    :  2,3-double bond

+%           c    :  4,3-double bond      d    :  4,4a-double bond

+%           e    :  4a,5-double bond     f    :  5,6-double bond

+%           g    :  6,7-double bond      h    :  7,8-double bond

+%           i    :  8,8a-double bond     j    :  1,8a-double bond

+%           k    :  4a,8a-double bond

+%           K    :  4a,8a-double bond in the other ring

+%           A    :  aromatic circle      B    :  aromatic circle

+%           {n+}       :  plus at the n-nitrogen atom (n = 1 to 10)

+% \end{verbatim}

+%

+% The |ATOMLIST| argument contains one or more heteroatom descriptors 

+% which are separated from each other by a semicolon.  Each heteroatom 

+% descriptor consists of a locant number and a heteroatom, 

+% where these are separated with a double equality symbol. 

+%

+% \begin{verbatim}

+%     ATOMLIST: list of heteroatoms (max 10 atoms)

+%

+%       for n = 1 to 8

+%

+%            n         : Hetero atom, e.g. N, O, etc. at n-position

+%                        e.g. 1==N for N at 1-position

+%            na        : Hetero atom at 4a or 8b (n=4 or 8)

+%                        e.g. 4a==N (or 9==N) for N at 4a-position

+%                             8a==N (or {{10}}==N) for N at 8a-position

+% \end{verbatim}

+%

+% The |SUBSLIST| argument contains one or more substitution descriptors 

+% which are separated from each other by a semicolon.  Each substitution 

+% descriptor has a locant number with a bond modifier and a substituent, 

+% where these are separated with a double equality symbol. 

+%

+% \begin{verbatim}

+%     SUBSLIST: list of substituents

+%

+%       for n = 1 to 8

+%

+%           nD         :  exocyclic double bond at n-atom

+%           n or nS    :  exocyclic single bond at n-atom

+%           nA         :  alpha single bond at n-atom

+%           nB         :  beta single bond at n-atom

+%           nSA        :  alpha single bond at n-atom (boldface)

+%           nSB        :  beta single bond at n-atom (dotted line)

+%           nSa        :  alpha (not specified) single bond at n-atom

+%           nSb        :  beta (not specified) single bond at n-atom

+%

+%           nSd        :  alpha single bond at n-atom (dotted line) 

+%                           with an alternative direction to nSA 

+%           nSu        :  beta single bond at n-atom (boldface) 

+%                           with an alternative direction to nSB 

+%           nFA        :  alpha single bond at n-atom (dotted line) 

+%                           for ring fusion 

+%           nFB        :  beta single bond at n-atom (boldface) 

+%                           for ring fusion 

+%           nGA        :  alpha single bond at n-atom (dotted line) 

+%                           for the other ring fusion 

+%           nGB        :  beta single bond at n-atom (boldface) 

+%                           for the other ring fusion 

+%

+%       for 9 (4a position) and 10 (8a position)

+%

+%           nD         :  exocyclic double bond at n-atom

+%           n or nS    :  exocyclic single bond at n-atom

+%           nA         :  alpha single bond at n-atom

+%           nB         :  beta single bond at n-atom

+% \end{verbatim}

+%

+% The argument |OMIT| represents one or more bonds to be omitted. 

+% The omitted edges may be regarded as both fused and non-fused 

+% positions. 

+%

+% \begin{verbatim}

+%     OMIT:  one or more bonds omitted (a to k; see BONDLIST)

+% \end{verbatim}

+%

+% Several examples are shown as follows.

+% \begin{verbatim}

+%       e.g. 

+%        

+%        \decaheterohi{1==N}{1==Cl;2==F}

+%        \decaheterohi[c]{1==N}{1==Cl;4==F;2==CH$_{3}$}

+%        \decaheterohi[eb]{1==N}{1D==O;4SA==MeO;4SB==OMe;5==Cl;6==Cl}

+% \end{verbatim}

+%

+% The definition of |\decaheterohi| uses a picture environment and 

+% consists of the same unit processes as shown in |\sixheterov|: 

+% \begin{enumerate}

+% \item treatment of atom list, 

+% \item placing outer skeletons, 

+% \item placing inner double bonds, 

+% \item setting hetero atoms, and 

+% \item placing substituents by using |\setsixringh| several times. 

+% \end{enumerate}

+% \changes{v1.02}{1998/10/31}{Adding \cs{ylposition}, \cs{if@ylsw},

+% \cs{yl@shifti}, \cs{@ylii}, \cs{yl@shiftii}, \cs{@ylii}, 

+% \cs{yl@xdiff} and \cs{yl@ydiff}}

+% \changes{v2.00}{1998/12/1}{Add: spiro and fused rings}

+%

+% \begin{macro}{\decaheterohi}

+% \begin{macro}{\@deca@heterohi}

+% \begin{macro}{\@deca@@heterohi}

+% \begin{macro}{\@decaheterohi}

+%    \begin{macrocode}

+\def\decaheterohi{\@ifnextchar({\@deca@heterohi(@}{\@deca@heterohi(@)}}

+\def\@deca@heterohi(#1){\@ifnextchar[{\@deca@@heterohi(#1)[@}%

+{\@deca@@heterohi(#1)[@]}}

+\def\@deca@@heterohi(#1)[#2]#3#4{\@ifnextchar[%

+{\@decaheterohi(#1)[#2]{#3}{#4}[@}%

+{\@decaheterohi(#1)[#2]{#3}{#4}[@]}}

+\def\@decaheterohi(#1)[#2]#3#4[#5]{%

+%    \end{macrocode}

+%

+%    \begin{macrocode}

+% %%%%%%%%%%%%%%%%%%%%%%%%%%

+% % treatment of atom list %

+% %%%%%%%%%%%%%%%%%%%%%%%%%%

+\iniflag\iniatom%

+\test@vertix@decavi{#3}%

+% %%%%%%%%%%%%%%%%%%%%%%%

+% % adjustment for (yl) %

+% %%%%%%%%%%%%%%%%%%%%%%%

+\@reset@ylsw%

+\ylhetpositionh{#4}{5}{0}{5}{-1}% %substituents on 1 to 4

+\if@ylsw \ifx\@@ylii\empty

+\def\@@ylii{0}\def\@@yli{0}\fi

+\else

+{\let\ddd=\eee\let\eee=\fff\let\fff=\ggg

+\ylhetpositionh{#4}{12}{3}{7}{-1}% %substituents on 6 to 8

+}%

+\fi

+\if@ylsw \ifx\@@ylii\empty

+\def\@@ylii{0}\def\@@yli{342}\fi

+\else

+{\let\aaa=\hhh

+\ylhetpositionh{#4}{-4}{0}{2}{0}% %substituent on 5

+}%

+\fi

+\if@ylsw \ifx\@@ylii\empty

+\def\@@ylii{0}\def\@@yli{342}\fi

+\else

+{%

+\clipdetection%

+\@clipfusefalse \if@iclip \@clipfusetrue \fi%

+\ylatombondposition{#4}{-9}{4}%   %10 for 8a position

+}%

+\fi

+\if@ylsw \ifx\@@ylii\empty

+\def\@@ylii{-303}\def\@@yli{171}\fi

+\else

+{%

+\clipdetection%

+\@clipfusefalse \if@jclip \@clipfusetrue \fi%

+\ylatombondposition{#4}{-8}{10}% %9 for 4a position

+}%

+\fi

+\if@ylsw \ifx\@@ylii\empty

+\def\@@ylii{-103}\def\@@yli{171}\fi

+\fi

+\if@ylsw

+ \yl@shiftii=\@ylii

+ \yl@shifti=\@yli

+ \advance\yl@shiftii\@@ylii

+ \advance\yl@shifti\@@yli

+ \advance\yl@shiftii\yl@xdiff

+ \advance\yl@shifti\yl@ydiff

+ \begin{picture}(0,0)(-\yl@shiftii,-\yl@shifti)

+ \reset@yl@xydiff%1999/1/6 by S. Fujita

+\else

+\begin{picture}(1200,1200)(-400,-800)%

+  \iforigpt \put(-\shiftii,-\shiftiii){\circle*{50}}%

+           \put(-\noshift,-\noshift){\circle{50}}% 

+   \typeout{command `decaheterohi' origin: %

+    (\the\noshift,\the\noshift) ---> (\the\shiftii,\the\shiftiii)}\fi%

+\fi

+%    \end{macrocode}

+%

+%    \begin{macrocode}

+% %%%%%%%%%%%%%%%%%%

+% % outer skeleton %

+% %%%%%%%%%%%%%%%%%%

+\begingroup

+\resetbdsw%

+\@bond@@omit{#5}%

+{\let\fff=\jjj \let\eee=\iii%

+\set@skel@bondh{#1}{a}{c}% bond between 1 and 2 \@aaa -> \hskbondc etc

+\set@skel@bondh{#1}{b}{b}% bond between 2 and 3 \@bbb -> \hskbondb etc

+\set@skel@bondh{#1}{c}{a}% bond between 3 and 4 \@ccc -> \hskbonda etc

+\set@skel@bondh{#1}{d}{f}% bond between 4 and 4a \@ddd -> \hskbondf etc

+\set@skel@bondh{#1}{k}{e}% bond between 4a and 8a \@kkk -> \hskbonde etc

+\set@skel@bondh{#1}{j}{d}% bond between 8a and 1 \@jjj -> \hskbondd etc

+}%

+{\let\aaa=\hhh \let\ddd=\eee\let\eee=\fff\let\fff=\ggg%

+ \let\ccc=\iii\let\bbb=\jjj%

+\put(0,-342){\set@skel@bondh{#1}{e}{a}}%

+  % bond between 4a and 5 \@eee -> \hskbonda etc

+\put(0,-342){\set@skel@bondh{#1}{i}{c}}%

+  % bond between 8a and 8 \@iii -> \hskbondc etc

+\put(0,-342){\set@skel@bondh{#1}{h}{d}}%

+  % bond between 7 and 8 \@hhh -> \hskbondd etc

+\put(0,-342){\set@skel@bondh{#1}{g}{e}}%

+  % bond between 6 and 7 \@ggg -> \hskbonde etc

+\put(0,-342){\set@skel@bondh{#1}{f}{f}}%

+  % bond between 5 and 6 \@fff -> \hskbondf etc

+}%

+\endgroup

+%    \end{macrocode}

+%

+%    \begin{macrocode}

+% %%%%%%%%%%%%%%%%%%%%%

+% % inner double bond %

+% %%%%%%%%%%%%%%%%%%%%%

+\@tfor\member:=#2\do{%

+\if\member r\relax%

+{\let\fff=\jjj \let\eee=\iii%

+ \put(0,0){\hbonda}% bond between 1 and 2

+ \put(0,0){\hbondc}% bond between 3 and 4

+}%

+{\let\aaa=\hhh \let\ddd=\eee\let\eee=\fff\let\fff=\ggg%

+ \let\ccc=\iii\let\bbb=\jjj%

+ \put(0,-342){\hbondb}% bond between 8a and 4a

+ \put(0,-342){\hbondf}% bond between 8 and 7

+ \put(0,-342){\hbondd}% bond between 5 and 6

+}%

+\else \if\member l\relax%

+\else \if\member a\relax%

+ \put(0,0){\hbondc}% bond between 3 and 4

+\else \if\member b\relax

+ \put(0,0){\hbondb}% bond between 2 and 3

+\else \if\member c\relax

+ \put(0,0){\hbonda}% bond between 1 and 2

+\else \if\member d\relax%

+{\let\fff=\jjj%

+ \put(0,0){\hbondf}% bond between 1 and 8a

+}%

+\else \if\member e\relax%

+{\let\aaa=\hhh \let\bbb=\jjj%

+ \put(0,-342){\hbonda}% bond between 8 and 8a

+}%

+\else \if\member f\relax%

+{\let\aaa=\hhh \let\fff=\ggg%

+ \put(0,-342){\hbondf}% bond between 8 and 7

+}%

+\else \if\member g\relax%

+{\let\eee=\fff \let\fff=\ggg% 

+ \put(0,-342){\hbonde}% bond between 6 and 7

+}%

+\else \if\member h\relax%

+{\let\ddd=\eee \let\eee=\fff%

+ \put(0,-342){\hbondd}% bond between 5 and 6

+}%

+\else \if\member i\relax%

+{\let\ccc=\iii \let\ddd=\eee%

+ \put(0,-342){\hbondc}% bond between 5 and 4a

+}%

+\else \if\member j\relax%

+{\let\eee=\iii%

+ \put(0,0){\hbondd}% bond between 4 and 4a

+}%

+\else \if\member k\relax%

+{\let\ccc=\iii\let\bbb=\jjj%

+ \put(0,-342){\hbondb}% bond between 8a and 4a

+}%

+\else \if\member K\relax%

+{\let\eee=\iii\let\fff=\jjj%

+ \put(0,0){\hbonde}% bond between 8a and 4a

+}%

+\else \if\member A%left aromatic circle

+  \put(203,0){\circle{240}}%                %circle

+\else \if\member B%left aromatic circle 

+  \put(203,-342){\circle{240}}%             %circle

+\else \expandafter\twoCH@@R\member//%

+  \def\aax{8a}\def\aay{4a}\def\aaz{10}%

+      \if\@@tmpa 4\relax%

+        \putratom{68}{-18}{\@@tmpb}%        % right type

+      \else\if\@@tmpa 1\relax%

+        \putratom{272}{-18}{\@@tmpb}%       % right type

+      \else\if\@@tmpa 3\relax%

+        \putratom{120}{60}{\@@tmpb}%        % right type

+      \else\if\@@tmpa 2\relax%

+        \putratom{233}{60}{\@@tmpb}%        % right type

+      \else\ifx\@@tmpa\aaz\relax%

+        \putratom{233}{-110}{\@@tmpb}%      % right type

+      \else\ifx\@@tmpa\aax\relax%

+        \putratom{233}{-110}{\@@tmpb}%      % right type

+      \else\ifx\@@tmpa\aay\relax%

+        \putratom{120}{-110}{\@@tmpb}%      % right type

+      \else\if\@@tmpa 9\relax%

+        \putratom{120}{-110}{\@@tmpb}%      % right type

+      \else\if\@@tmpa 5\relax%

+        \putratom{68}{-360}{\@@tmpb}%       % right type

+      \else\if\@@tmpa 8\relax%

+        \putratom{272}{-360}{\@@tmpb}%      % right type

+      \else\if\@@tmpa 6\relax%

+        \putratom{120}{-452}{\@@tmpb}%      % right type

+      \else\if\@@tmpa 7\relax%

+        \putratom{233}{-452}{\@@tmpb}%      % right type

+     \fi\fi\fi\fi\fi\fi\fi\fi\fi\fi\fi\fi%

+% ***********************

+% * setting fused rings *

+% ***********************

+   \expandafter\twoCH@R\member//%

+   \set@fusion@decahi

+\fi\fi\fi\fi\fi\fi\fi\fi\fi\fi%

+\fi\fi\fi\fi\fi\fi}%

+%    \end{macrocode}

+%

+% \changes{v2.00a}{2000/11/11}{The 

+% \cs{iniflag} command is added to 8-substitution.}

+%

+%    \begin{macrocode}

+% %%%%%%%%%%%%%%%%%%%%%%%%

+% % setting hetero atoms %

+% %%%%%%%%%%%%%%%%%%%%%%%%

+\iniflag

+\@tmpclipfalse

+\put(0,0){\set@hetatom@sixh{#3}{5}{0}{5}{-1}%

+   \if@aclip \global\@acliptrue\fi

+   \if@bclip \global\@bcliptrue\fi

+   \if@cclip \global\@ccliptrue\fi

+   \if@clip \global\@cliptrue\fi

+}% %substituents on 1 to 4

+\put(0,-342){\iniflag%2000/11/11 by Shinsaku Fujita

+ \set@hetatom@sixh{#3}{12}{3}{7}{-1}%

+ \@gclipfalse \if@fclip \global\@gcliptrue \fi%

+ \@fclipfalse \if@eclip \global\@fcliptrue \fi%      

+ \@eclipfalse \if@clip \global\@ecliptrue \fi%

+}%substituents on 6 to 8

+\put(0,-342){\set@hetatom@sixh{#3}{-4}{0}{2}{0}%

+ \@aclipfalse \if@aclip \global\@hcliptrue \fi%

+}%%substituent on 5

+\put(0,0){\set@vrtx@decafusehi{#3}%

+  \@tmpclipfalse

+  \if@iclip \global\@tmpcliptrue \fi

+  \if@jclip \global\@icliptrue \fi

+  \if@tmpclip \global\@jcliptrue \fi

+}% fused positions

+%    \end{macrocode}

+%

+%    \begin{macrocode}

+% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%

+% % setting substituents and exocyclic bonds %

+% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%

+\put(0,0){\setsixringh{#4}{5}{0}{5}{-1}}% %substituents on 1 to 4

+{\@clipfalse \if@eclip \@cliptrue \fi%    %substituents on 6 to 8

+ \@eclipfalse \if@fclip \@ecliptrue \fi%

+ \@fclipfalse \if@gclip \@fcliptrue \fi%

+\put(0,-342){\setsixringh{#4}{12}{3}{7}{-1}}%

+}%

+{\@aclipfalse \if@hclip \@acliptrue \fi%    %substituent on 5

+\put(0,-342){\setsixringh{#4}{-4}{0}{2}{0}}%

+}%

+{\@clipfusefalse \if@iclip \@clipfusetrue \fi%

+ \put(303,-171){\setatombond{#4}{-9}{4}}%   %10 for 8a position

+}%

+{\@clipfusefalse \if@jclip \@clipfusetrue \fi

+  \put(103,-171){\setatombond{#4}{-8}{10}}% %9 for 4a position

+}%

+\end{picture}\iniatom\iniflag}%      %end of \decaheterohi macro

+%    \end{macrocode}

+% \end{macro}

+% \end{macro}

+% \end{macro}

+% \end{macro}

+%

+% The macro |\set@vrtx@decafusehi| is an inner command contained 

+% in the definition of |\decaheterohi|, where the macro is used to set 

+% a hetero atom or on a vertex of a bridgehead location.  

+%

+% \begin{macro}{\set@vrtx@decafusehi}

+%    \begin{macrocode}

+\def\set@vrtx@decafusehi#1{%

+\@forsemicol\member:=#1\do{%

+\ifx\member\empty\else

+\expandafter\@m@mb@r\member;\relax%

+\expandafter\twoch@r\@membera{}%

+\ifcase\@tmpa\or\or\or

+ \or%%%%4

+   \if\@tmpb a%

+     \global\@icliptrue%

+     \putlatom{135}{-211}{\@memberb}%             % left type

+   \else\if\@tmpb h%

+      \XyMTeXWarning{Forbidden fused position `4a' or `9'}%

+   \else\if\@tmpb s%

+      \XyMTeXWarning{Forbidden fused position `4a' or `9'}%

+   \else\ifx\@tmpb\empty\relax

+   \else

+      \XyMTeXWarning{Forbidden fused position `4a' or `9'}%

+   \fi\fi\fi\fi

+ \or\or\or

+ \or%8

+   \if\@tmpb a%

+     \global\@jcliptrue%

+     \putratom{273}{-211}{\@memberb}%             % right type

+   \else\if\@tmpb h%

+      \XyMTeXWarning{Forbidden fused position `8a' or `10'}%

+   \else\if\@tmpb s%

+      \XyMTeXWarning{Forbidden fused position `8a' or `10'}%

+   \else\ifx\@tmpb\empty\relax

+   \else

+      \XyMTeXWarning{Forbidden fused position `8a' or `10'}%

+   \fi\fi\fi\fi

+\or%9 (= 4a)

+   \ifx\@tmpb\empty%

+     \global\@icliptrue%

+     \putlatom{135}{-211}{\@memberb}%             % left type

+   \else

+      \XyMTeXWarning{Forbidden fused position `4a' or `9'}%

+   \fi

+\or%10 (= 8a)

+   \ifx\@tmpb\empty%

+     \global\@jcliptrue%

+     \putratom{273}{-211}{\@memberb}%             % right type

+   \else

+      \XyMTeXWarning{Forbidden fused position `8a' or `10'}%

+   \fi

+\fi\fi}%

+}% end of the macro \set@vrtx@decafusehi

+%    \end{macrocode}

+% \end{macro}

+%

+% The macro |\set@fusion@decahi| is an inner command contained 

+% in the definition of |\decaheterohi|, where   

+% the macro is used for setting an additive 

+% or a fused ring at each bond (designated by |\@@tmpa|).  The 

+% fused ring is typeset by the inner command |\set@fusionadd@sixhi|. 

+%

+% \begin{macro}{\set@fusion@decahi}

+% \changes{v2.00}{1998/11/15}{New command: \cs{set@fusion@decahi}}
+%    \begin{macrocode}

+\def\set@fusion@decahi{%

+  \let\@@tmpa=\@tmpa

+  \let\@@tmpb=\@tmpb

+  \if\@tmpa a%

+      \let\@@tmpa=\@tmpa

+      \put(0,0){\set@fusionadd@sixhi}%

+  \else\if\@tmpa A%

+      \let\@@tmpa=\@tmpa

+      \put(0,0){\set@fusionadd@sixhi}%

+  \else\if\@tmpa b%

+      \let\@@tmpa=\@tmpa

+      \put(0,0){\set@fusionadd@sixhi}%

+  \else\if\@tmpa B%

+      \let\@@tmpa=\@tmpa

+      \put(0,0){\set@fusionadd@sixhi}%

+  \else\if\@tmpa c%

+      \let\@@tmpa=\@tmpa

+      \put(0,0){\set@fusionadd@sixhi}%

+  \else\if\@tmpa C%

+      \let\@@tmpa=\@tmpa

+      \put(0,0){\set@fusionadd@sixhi}%

+  \else\if\@tmpa d%

+      \let\@@tmpa=\@tmpa

+      \put(0,0){\set@fusionadd@sixhi}%

+      \if@smallringsw\else

+       \XyMTeXWarning{Unfavorable Fusion for bond `d'}%

+      \fi

+  \else\if\@tmpa D%

+      \let\@@tmpa=\@tmpa

+      \put(0,0){\set@fusionadd@sixhi}%

+      \if@smallringsw\else

+       \XyMTeXWarning{Unfavorable Fusion for bond `D'}%

+      \fi

+  \else\if\@tmpa e%

+      \edef\@@tmpa{c}%

+      \put(0,-342){\set@fusionadd@sixhi}%

+      \if@smallringsw\else

+       \XyMTeXWarning{Unfavorable Fusion for bond `e'}%

+      \fi

+  \else\if\@tmpa E%

+      \edef\@@tmpa{C}%

+      \put(0,-342){\set@fusionadd@sixhi}%

+      \if@smallringsw\else

+       \XyMTeXWarning{Unfavorable Fusion for bond `E'}%

+      \fi

+  \else\if\@tmpa f%

+      \edef\@@tmpa{d}%

+      \put(0,-342){\set@fusionadd@sixhi}%

+  \else\if\@tmpa F%

+      \edef\@@tmpa{D}%

+      \put(0,-342){\set@fusionadd@sixhi}%

+  \else\if\@tmpa g%

+      \edef\@@tmpa{e}%

+      \put(0,-342){\set@fusionadd@sixhi}%

+  \else\if\@tmpa G%

+      \edef\@@tmpa{E}%

+      \put(0,-342){\set@fusionadd@sixhi}%

+  \else\if\@tmpa h%

+      \edef\@@tmpa{f}%

+      \put(0,-342){\set@fusionadd@sixhi}%

+  \else\if\@tmpa H%

+      \edef\@@tmpa{F}%

+      \put(0,-342){\set@fusionadd@sixhi}%

+  \else\if\@tmpa i%

+      \edef\@@tmpa{a}%

+      \put(0,-342){\set@fusionadd@sixhi}%

+      \if@smallringsw\else

+       \XyMTeXWarning{Unfavorable Fusion for bond `i'}%

+      \fi

+  \else\if\@tmpa I%

+      \edef\@@tmpa{A}%

+      \put(0,-342){\set@fusionadd@sixhi}%

+      \if@smallringsw\else

+       \XyMTeXWarning{Unfavorable Fusion for bond `I'}%

+      \fi

+  \else\if\@tmpa j%

+      \edef\@@tmpa{f}%

+      \put(0,0){\set@fusionadd@sixhi}%

+      \if@smallringsw\else

+       \XyMTeXWarning{Unfavorable Fusion for bond `j'}%

+      \fi

+  \else\if\@tmpa J%

+      \edef\@@tmpa{F}%

+      \put(0,0){\set@fusionadd@sixhi}%

+      \if@smallringsw\else

+       \XyMTeXWarning{Unfavorable Fusion for bond `J'}%

+      \fi

+  \else\if\@tmpa k%

+      \edef\@@tmpa{e}%

+      \put(0,0){\set@fusionadd@sixhi}%

+      \if@smallringsw\else

+       \XyMTeXWarning{Forbidden Fusion for bond `k'}%

+      \fi

+  \else\if\@tmpa K%

+      \edef\@@tmpa{E}%

+      \put(0,0){\set@fusionadd@sixhi}%

+      \if@smallringsw\else

+       \XyMTeXWarning{Forbidden Fusion for bond `K'}%

+      \fi

+  \fi\fi\fi\fi\fi\fi\fi\fi\fi\fi\fi\fi%

+  \fi\fi\fi\fi\fi\fi\fi\fi\fi\fi%

+}% end of the macro \set@fusion@decahi

+%    \end{macrocode}

+% \end{macro}

+%

+% \subsection{Short-cut commands for fused heterocycles}

+%

+% The macro |\decaheteroh| can be used in the 

+% form of a fixed |ATOMLIST|.  Hence, the resulting commands for 

+% drawing a fused heterocyle with one or more nitrogen atoms 

+% have an argument |SUBSLIST| as well as an optional argument |BONDLIST|.  

+%

+% \begin{verbatim}

+% ****************************************************

+% * heterocycles having two fused six-membered rings *

+% *  (horizontal type)                               *

+% ****************************************************

+%

+%   \quinolineh[BONDLIST]{SUBSLIST}

+%   \quinolinehi[BONDLIST]{SUBSLIST}

+%   \isoquinolineh[BONDLIST]{SUBSLIST}

+%   \isoquinolinehi[BONDLIST]{SUBSLIST}

+%   \quinoxalineh[BONDLIST]{SUBSLIST}

+%   \quinazolineh[BONDLIST]{SUBSLIST}

+%   \quinazolinehi[BONDLIST]{SUBSLIST}

+%   \cinnolineh[BONDLIST]{SUBSLIST}

+%   \cinnolinehi[BONDLIST]{SUBSLIST}

+%   \pteridineh[BONDLIST]{SUBSLIST}

+%   \pteridinehi[BONDLIST]{SUBSLIST}

+% \end{verbatim}

+%

+% The |BONDLIST| argument contains one 

+% character selected from a to k, each of which indicates the presence of 

+% an inner (endcyclic) double bond on the corresponding position. 

+% The optiona `A' and `B' typeset aromatic circles. 

+% The option 

+% `$n+$' ($n=1$ to $10$) represents a plus charge on a hetero atom 

+% at the $n$-position. 

+%

+% \begin{verbatim}

+%     BONDLIST:  list of bonds 

+%

+%           none or r  :  decahetero (right-handed)

+%           l          :  decahetero (left-handed)

+%           []         :  fully saturated form

+%           a    :  1,2-double bond      b    :  2,3-double bond

+%           c    :  4,3-double bond      d    :  4,4a-double bond

+%           e    :  4a,5-double bond     f    :  5,6-double bond

+%           g    :  6,7-double bond      h    :  7,8-double bond

+%           i    :  8,8a-double bond     j    :  1,8a-double bond

+%           k    :  4a,8a-double bond

+%           A    :  aromatic circle      B    :  aromatic circle

+%           {n+}       :  plus at the n-nitrogen atom (n = 1 to 10)

+% \end{verbatim}

+%

+% The |SUBSLIST| argument contains one or more substitution descriptors 

+% which are separated from each other by a semicolon.  Each substitution 

+% descriptor has a locant number with a bond modifier and a substituent, 

+% where these are separated with a double equality symbol. 

+%

+% \begin{verbatim}

+%     SUBSLIST: list of substituents

+%

+%       for n = 1 to 8

+%

+%           nD         :  exocyclic double bond at n-atom

+%           n or nS    :  exocyclic single bond at n-atom

+%           nA         :  alpha single bond at n-atom

+%           nB         :  beta single bond at n-atom

+%           nSA        :  alpha single bond at n-atom (boldface)

+%           nSB        :  beta single bond at n-atom (dotted line)

+%           nSa        :  alpha (not specified) single bond at n-atom

+%           nSb        :  beta (not specified) single bond at n-atom

+%

+%           nSd        :  alpha single bond at n-atom (dotted line) 

+%                           with an alternative direction to nSA 

+%           nSu        :  beta single bond at n-atom (boldface) 

+%                           with an alternative direction to nSB 

+%           nFA        :  alpha single bond at n-atom (dotted line) 

+%                           for ring fusion 

+%           nFB        :  beta single bond at n-atom (boldface) 

+%                           for ring fusion 

+%           nGA        :  alpha single bond at n-atom (dotted line) 

+%                           for the other ring fusion 

+%           nGB        :  beta single bond at n-atom (boldface) 

+%                           for the other ring fusion 

+%

+%       for 9 (4a position) and 10 (8a position)

+%

+%           nD         :  exocyclic double bond at n-atom

+%           n or nS    :  exocyclic single bond at n-atom

+%           nA         :  alpha single bond at n-atom

+%           nB         :  beta single bond at n-atom

+% \end{verbatim}

+%

+% Several examples are shown as follows.

+% \begin{verbatim}

+%       e.g. 

+%        

+%        \quinolineh{2==Cl;3==F}

+% \end{verbatim}

+%

+% \begin{macro}{\quinolineh}

+% \begin{macro}{\quinolinehi}

+%    \begin{macrocode}

+\def\quinolineh{%

+ \@ifnextchar[{\@quinolineh[@}{\@quinolineh[acfhk]}}%

+\def\@quinolineh[#1]#2{%

+\iforigpt \typeout{command `quinolineh' %

+ is based on `decaheteroh'.}\fi%

+\decaheteroh[#1]{1==N}{#2}}%

+\def\quinolinehi{%

+ \@ifnextchar[{\@quinolinehi[@}{\@quinolinehi[acfhk]}}%

+\def\@quinolinehi[#1]#2{%

+\iforigpt \typeout{command `quinolinehi' %

+ is based on `decaheterohi'.}\fi%

+\decaheterohi[#1]{1==N}{#2}}%

+%    \end{macrocode}

+% \end{macro}

+% \end{macro}

+%

+% \begin{macro}{\isoquinolineh}

+% \begin{macro}{\isoquinolinehi}

+%    \begin{macrocode}

+\def\isoquinolineh{%

+ \@ifnextchar[{\@isoquinolineh[@}{\@isoquinolineh[acfhk]}}%

+\def\@isoquinolineh[#1]#2{%

+\iforigpt \typeout{command `isoquinolineh' %

+ is based on `decaheteroh'.}\fi%

+\decaheteroh[#1]{2==N}{#2}}%

+\def\isoquinolinehi{%

+ \@ifnextchar[{\@isoquinolinehi[@}{\@isoquinolinehi[acfhk]}}%

+\def\@isoquinolinehi[#1]#2{%

+\iforigpt \typeout{command `isoquinolinehi' %

+ is based on `decaheterohi'.}\fi%

+\decaheterohi[#1]{2==N}{#2}}%

+%    \end{macrocode}

+% \end{macro}

+% \end{macro}

+%

+% \begin{macro}{quinoxalineh}

+%    \begin{macrocode}

+\def\quinoxalineh{%

+ \@ifnextchar[{\@quinoxalineh[@}{\@quinoxalineh[acfhk]}}%

+\def\@quinoxalineh[#1]#2{%

+\iforigpt \typeout{command `quinoxalineh' %

+ is based on `decaheteroh'.}\fi%

+\decaheteroh[#1]{1==N;4==N}{#2}}%

+%    \end{macrocode}

+% \end{macro}

+%

+% \begin{macro}{\quinazolineh}

+% \begin{macro}{\quinazolinehi}

+%    \begin{macrocode}

+\def\quinazolineh{%

+ \@ifnextchar[{\@quinazolineh[@}{\@quinazolineh[acfhk]}}%

+\def\@quinazolineh[#1]#2{%

+\iforigpt \typeout{command `quinazolineh' %

+ is based on `decaheteroh'.}\fi%

+\decaheteroh[#1]{1==N;3==N}{#2}}%

+\def\quinazolinehi{%

+ \@ifnextchar[{\@quinazolinehi[@}{\@quinazolinehi[acfhk]}}%

+\def\@quinazolinehi[#1]#2{%

+\iforigpt \typeout{command `quinazolinehi' %

+ is based on `decaheterohi'.}\fi%

+\decaheterohi[#1]{1==N;3==N}{#2}}%

+%    \end{macrocode}

+% \end{macro}

+% \end{macro}

+%

+% \begin{macro}{\cinnolineh}

+% \begin{macro}{\cinnolinehi}

+%    \begin{macrocode}

+\def\cinnolineh{%

+ \@ifnextchar[{\@cinnolineh[@}{\@cinnolineh[acfhk]}}%

+\def\@cinnolineh[#1]#2{%

+\iforigpt \typeout{command `cinnolineh' %

+ is based on `decaheteroh'.}\fi%

+\decaheteroh[#1]{1==N;2==N}{#2}}%

+\def\cinnolinehi{%

+ \@ifnextchar[{\@cinnolinehi[@}{\@cinnolinehi[acfhk]}}%

+\def\@cinnolinehi[#1]#2{%

+\iforigpt \typeout{command `cinnolinehi' %

+ is based on `decaheterohi'.}\fi%

+\decaheterohi[#1]{1==N;2==N}{#2}}%

+%    \end{macrocode}

+% \end{macro}

+% \end{macro}

+%

+% \begin{macro}{\pteridineh}

+% \begin{macro}{\pteridinehi}

+%    \begin{macrocode}

+\def\pteridineh{%

+ \@ifnextchar[{\@pteridineh[@}{\@pteridineh[acfhk]}}%

+\def\@pteridineh[#1]#2{%

+\iforigpt \typeout{command `pteridineh' %

+ is based on `decaheteroh'.}\fi%

+\decaheteroh[#1]{1==N;3==N;5==N;8==N}{#2}}%

+\def\pteridinehi{%

+ \@ifnextchar[{\@pteridinehi[@}{\@pteridinehi[acfhk]}}%

+\def\@pteridinehi[#1]#2{%

+\iforigpt \typeout{command `pteridinehi' %

+  is based on `decaheterohi'.}\fi%

+\decaheterohi[#1]{1==N;3==N;5==N;8==N}{#2}}%

+%    \end{macrocode}

+% \end{macro}

+% \end{macro}

+%

+% \section{Six-to-five fused heterocycles}

+% \subsection{Horizontal type}

+%

+% The standard skeleton of a six-to-five fused heterocycle is selected 

+% to have the following locant numbers. 

+%

+% \begin{verbatim}

+% **************************

+% * nonahetero derivatives *

+% *  (horizontal type)     *

+% **************************

+% The following numbering is adopted in this macro. 

+%

+%           3   2

+%

+%                  1           (*1 origin)

+%

+%       (8)3a   7a(9)

+%

+%       4          7

+%

+%           5   6

+%   ____                     ____

+%  |cf.                          |

+%  |        4 (8)               |

+%  |        *  3a                |

+%  |   5  *   * -----  3         |

+%  |     |     |     |           |

+%  |     |     |     |           |

+%  |   6  *   * *   *  2         |

+%  |        *  7a *              |

+%  |        7 (9) 1              |

+%  |        ^                    |

+%  |        |                    |

+%  |        the original point   |

+%  |____                     ____|

+% \end{verbatim}

+%

+% The macro |\nonaheteroh| has two arguments |ATOMLIST| and |SUBSLIST| 

+% as well as an optional argument |BONDLIST|.  

+% Two optional arguments |SKBONDLIST| and |OMIT| are added to 

+% treat stereochemical information or other bond situations. 

+%

+% \begin{verbatim}

+%   \nonaheteroh(SKBONDLIST)[BONDLIST]{ATOMLIST}{SUBSLIST}[OMIT]

+% \end{verbatim}

+%

+% The |SKBONDLIST| argument contains pairs of two alphabets in 

+% parentheses, e.g. (\{bA\}\{fB\}).  Each pair contains a lowercase 

+% character selected from bond specifiers `a' to `j' and a uppercase

+% character `A' or `B'. 

+%

+% The |BONDLIST| argument contains one 

+% character selected from a to j, each of which indicates the presence of 

+% an inner (endcyclic) double bond on the corresponding position. 

+% The options `A' and `B' represent aromatic circles in two rings. 

+% The option `$n+$' ($n=1$ to $9$) represents a plus charge on a hetero atom 

+% at the $n$-position. 

+%

+% \begin{verbatim}

+%     BONDLIST:  list of bonds 

+%

+%           none or r  :  aromatic six-membered ring

+%           []         :  fully saturated form

+%           a    :  1,2-double bond      b    :  2,3-double bond

+%           c    :  3,3a-double bond     d    :  4,3a-double bond

+%           e    :  4,5-double bond      f    :  5,6-double bond

+%           g    :  6,7-double bond      h    :  7,7a-double bond

+%           i    :  1,7a-double bond 

+%           j    :  3a,4a-double bond

+%           J    :  3a,4a-double bond in the other ring

+%           A    :  aromatic circle (six-membered)

+%           B    :  aromatic circle (five-membered)

+%           {n+} :  plus at the n-nitrogen atom (n = 1 to 9)

+%           {0+} :  plus (or others) at the center 

+%                    of the five-membered cycle

+% \end{verbatim}

+%

+% The |ATOMLIST| argument contains one or more heteroatom descriptors 

+% which are separated from each other by a semicolon.  Each heteroatom 

+% descriptor consists of a locant number and a heteroatom, 

+% where these are separated with a double equality symbol. 

+%

+% \begin{verbatim}

+%     ATOMLIST: list of heteroatoms (max 9 atoms)

+%

+%       for n = 1 to 7

+%

+%            n         : Hetero atom, e.g. N, O, etc. at n-position

+%                        e.g. 1==N for N at 1-position

+%            na        : Hetero atom at 3a or 7b (n=3 or 7)

+%                        e.g. 3a==N (or 8==N) for N at 4a-position

+%                             7a==N (or 9==N) for N at 8a-position

+% \end{verbatim}

+%

+% The |SUBSLIST| argument contains one or more substitution descriptors 

+% which are separated from each other by a semicolon.  Each substitution 

+% descriptor has a locant number with a bond modifier and a substituent, 

+% where these are separated with a double equality symbol. 

+%

+% \begin{verbatim}

+%     SUBSLIST: list of substituents

+%

+%       for n = 1 to 8

+%

+%           nD         :  exocyclic double bond at n-atom

+%           n or nS    :  exocyclic single bond at n-atom

+%           nA         :  alpha single bond at n-atom

+%           nB         :  beta single bond at n-atom

+%           nSA        :  alpha single bond at n-atom (boldface)

+%           nSB        :  beta single bond at n-atom (dotted line)

+%           nSa        :  alpha (not specified) single bond at n-atom

+%           nSb        :  beta (not specified) single bond at n-atom

+%

+%           nSd        :  alpha single bond at n-atom (dotted line) 

+%                           with an alternative direction to nSA 

+%           nSu        :  beta single bond at n-atom (boldface) 

+%                           with an alternative direction to nSB 

+%           nFA        :  alpha single bond at n-atom (dotted line) 

+%                           for ring fusion 

+%           nFB        :  beta single bond at n-atom (boldface) 

+%                           for ring fusion 

+%           nGA        :  alpha single bond at n-atom (dotted line) 

+%                           for the other ring fusion 

+%           nGB        :  beta single bond at n-atom (boldface) 

+%                           for the other ring fusion 

+%

+%       for 8 (3a position) and 9 (7a position)

+%

+%           nD         :  exocyclic double bond at n-atom

+%           n or nS    :  exocyclic single bond at n-atom

+%           nA         :  alpha single bond at n-atom

+%           nB         :  beta single bond at n-atom

+% \end{verbatim}

+%

+% The argument |OMIT| represents one or more bonds to be omitted. 

+% The omitted edges may be regarded as both fused and non-fused 

+% positions. 

+%

+% \begin{verbatim}

+%     OMIT:  one or more bonds omitted (a to j; see BONDLIST)

+% \end{verbatim}

+%

+% Several examples are shown as follows.

+% \begin{verbatim}

+%       e.g. 

+%        

+%        \nonaheteroh{1==N}{1==Cl;2==F}

+%        \nonaheteroh[c]{1==N}{1==Cl;4==F;2==CH$_{3}$}

+% \end{verbatim}

+%

+% The definition of |\nonaheteroh| uses a picture environment and 

+% consists of the same unit processes as shown in |\sixheteroh|: 

+% \begin{enumerate}

+% \item treatment of atom list, 

+% \item placing outer skeletons, 

+% \item placing inner double bonds, 

+% \item setting hetero atoms, and 

+% \item placing substituents by using |\setsixringh| several times in 

+% a restricted fashion. 

+% \end{enumerate}

+% \changes{v1.02}{1998/10/31}{Adding \cs{ylpositionh}, \cs{if@ylsw},

+% \cs{yl@shifti}, \cs{@ylii}, \cs{yl@shiftii}, \cs{@ylii}, 

+% \cs{yl@xdiff} and \cs{yl@ydiff}}

+% \changes{v2.00}{1998/12/05}{Add: fused and spiro rings}

+%

+% \begin{macro}{\nonaheteroh}

+% \begin{macro}{\@nona@heteroh}

+% \begin{macro}{\@nona@@heteroh}

+% \begin{macro}{\@nonaheteroh}

+%    \begin{macrocode}

+\def\nonaheteroh{\@ifnextchar({\@nona@heteroh(@}{\@nona@heteroh(@)}}

+\def\@nona@heteroh(#1){\@ifnextchar[{\@nona@@heteroh(#1)[@}%

+{\@nona@@heteroh(#1)[@]}}

+\def\@nona@@heteroh(#1)[#2]#3#4{\@ifnextchar[%

+{\@nonaheteroh(#1)[#2]{#3}{#4}[@}%

+{\@nonaheteroh(#1)[#2]{#3}{#4}[@]}}

+\def\@nonaheteroh(#1)[#2]#3#4[#5]{%

+%    \end{macrocode}

+%

+%    \begin{macrocode}

+% %%%%%%%%%%%%%%%%%%%%%%%%%%

+% % treatment of atom list %

+% %%%%%%%%%%%%%%%%%%%%%%%%%%

+\iniflag\iniatom%

+\test@vertix@nonav{#3}%

+% %%%%%%%%%%%%%%%%%%%%%%%

+% % adjustment for (yl) %

+% %%%%%%%%%%%%%%%%%%%%%%%

+\@reset@ylsw%

+\ylpositionh{#4}{5}{1}{5}{-1}%  %substituents on 1 to 3

+\if@ylsw \ifx\@@ylii\empty

+\def\@@ylii{0}\def\@@yli{0}\fi

+\else

+{\let\ddd=\eee\let\eee=\fff\let\fff=\ggg

+\ylpositionh{#4}{11}{3}{7}{-1}% %substituents on 5 to 7

+}%

+\fi

+\if@ylsw \ifx\@@ylii\empty

+\def\@@ylii{0}\def\@@yli{342}\fi

+\else

+{\let\aaa=\hhh

+\ylpositionh{#4}{-3}{0}{2}{0}%%substituent on 4

+}%

+\fi

+\if@ylsw \ifx\@@ylii\empty

+\def\@@ylii{0}\def\@@yli{342}\fi

+\else

+{%

+\clipdetection%

+\@clipfusefalse \if@iclip \@clipfusetrue \fi%

+\ylatombondposition{#4}{-8}{4}%   %9 for 7a position

+}%

+\fi

+\if@ylsw \ifx\@@ylii\empty

+\def\@@ylii{-303}\def\@@yli{171}\fi

+\else

+{%

+\clipdetection%

+\@clipfusefalse \if@jclip \@clipfusetrue \fi%

+\ylatombondposition{#4}{-7}{10}% %8 for 3a position

+}%

+\fi

+\if@ylsw \ifx\@@ylii\empty

+\def\@@ylii{-103}\def\@@yli{171}\fi

+\fi

+\if@ylsw

+ \yl@shiftii=\@ylii

+ \yl@shifti=\@yli

+ \advance\yl@shiftii\@@ylii

+ \advance\yl@shifti\@@yli

+ \advance\yl@shiftii\yl@xdiff

+ \advance\yl@shifti\yl@ydiff

+ \begin{picture}(0,0)(-\yl@shiftii,-\yl@shifti)

+ \reset@yl@xydiff%1999/1/6 by S. Fujita

+\else

+ \begin{picture}(1200,1200)(-400,-800)%

+  \iforigpt \put(-\shiftii,-\shiftiii){\circle*{50}}%

+           \put(-\noshift,-\noshift){\circle{50}}% 

+   \typeout{command `nonahetero' origin: %

+    (\the\noshift,\the\noshift) ---> (\the\shiftii,\the\shiftiii)}\fi%

+\fi

+%    \end{macrocode}

+%

+%    \begin{macrocode}

+% %%%%%%%%%%%%%%%%%%

+% % outer skeleton %

+% %%%%%%%%%%%%%%%%%%

+\begingroup

+\resetbdsw%

+\@bond@@omit{#5}%

+{\let\fff=\jjj \let\eee=\iii%

+\set@skel@bondh{#1}{a}{c}% bond between 1 and 2 \@aaa -> \hskbondc etc

+\set@skel@bondh{#1}{b}{b}% bond between 2 and 3 \@bbb -> \hskbondb etc

+\set@skel@longbond{#1}{c}{hskbondvert}%

+      % bond between 3 and 3a \@ccc -> \hskbondhoriz etc

+\set@skel@bondh{#1}{j}{e}% bond between 3a and 7a \@jjj -> \hskbonde etc

+\set@skel@bondh{#1}{i}{d}% bond between 7a and 1 \@iii -> \hskbondd etc

+}%

+{\let\aaa=\hhh \let\ddd=\eee\let\eee=\fff\let\fff=\ggg

+ \let\ccc=\iii\let\bbb=\jjj%

+\put(0,-342){\set@skel@bondh{#1}{d}{a}}%

+  % bond between 3a and 4 \@ddd -> \hskbonda etc

+\put(0,-342){\set@skel@bondh{#1}{h}{c}}%

+  % bond between 7a and 7 \@hhh -> \hskbondc etc

+\put(0,-342){\set@skel@bondh{#1}{g}{d}}%

+  % bond between 6 and 7 \@ggg -> \hskbondd etc

+\put(0,-342){\set@skel@bondh{#1}{f}{e}}%

+  % bond between 5 and 6 \@fff -> \hskbonde etc

+\put(0,-342){\set@skel@bondh{#1}{e}{f}}%

+  % bond between 4 and 5 \@eee -> \hskbondf etc

+}%

+\endgroup

+%    \end{macrocode}

+%

+%    \begin{macrocode}

+% %%%%%%%%%%%%%%%%%%%%%

+% % inner double bond %

+% %%%%%%%%%%%%%%%%%%%%%

+\@tfor\member:=#2\do{%

+\if\member r\relax%

+{\let\aaa=\hhh \let\ddd=\eee\let\eee=\fff\let\fff=\ggg%

+ \let\ccc=\iii\let\bbb=\jjj%

+ \put(0,-342){\hbondb}% bond between 3a and 7a

+ \put(0,-342){\hbondf}% bond between 4 and 5

+ \put(0,-342){\hbondd}% bond between 6 and 7

+}%

+\else \if\member l\relax%

+\else \if\member a\relax%

+ \put(0,0){\hbondc}% bond between 3 and 4

+\else \if\member b\relax%

+ \put(0,0){\hbondb}% bond between 2 and 3

+\else \if\member c\relax%

+ \put(0,0){\hbondvert}% bond between 3 and 3a

+\else \if\member d\relax%

+{\let\aaa=\hhh \let\bbb=\jjj%

+ \put(0,-342){\hbonda}% bond between 4 and 3a

+}%

+\else \if\member e\relax%

+{\let\aaa=\hhh \let\fff=\ggg%

+ \put(0,-342){\hbondf}% bond between 4 and 5

+}%

+\else \if\member f\relax%

+{\let\eee=\fff \let\fff=\ggg%

+ \put(0,-342){\hbonde}% bond between 5 and 6

+}%

+\else \if\member g\relax%

+{\let\ddd=\eee \let\eee=\fff%

+ \put(0,-342){\hbondd}% bond between 6 and 7

+}%

+\else \if\member h\relax%

+{\let\ccc=\iii \let\ddd=\eee%

+ \put(0,-342){\hbondc}% bond between 7 and 7a

+}%

+\else \if\member i\relax%

+{\let\eee=\iii%

+ \put(0,0){\hbondd}% bond between 1 and 7a

+}%

+\else \if\member j\relax%

+{\let\ccc=\iii\let\bbb=\jjj%

+ \put(0,-342){\hbondb}% bond between 7a and 3a

+}%

+\else \if\member J\relax%

+{\let\eee=\iii\let\fff=\jjj%

+ \put(0,0){\hbonde}% bond between 7a and 3a

+}%

+\else \if\member B%left aromatic circle 

+  \put(233,0){\circle{180}}%               %circle (five-membered)

+\else \if\member A%left aromatic circle 

+  \put(203,-342){\circle{240}}%            %circle (six-membered)

+\else 

+  \expandafter\twoCH@@R\member//%

+  \def\aax{3a} \def\aay{7a}%

+      \if\@@tmpa 1\relax%

+        \putratom{272}{-18}{\@@tmpb}%      % right type

+      \else\if\@@tmpa 2\relax%

+        \putratom{233}{60}{\@@tmpb}%       % right type

+      \else\if\@@tmpa 3\relax%

+        \putratom{120}{60}{\@@tmpb}%       % right type

+      \else\if\@@tmpa 4\relax%

+        \putratom{68}{-360}{\@@tmpb}%      % right type

+      \else\if\@@tmpa 5\relax%

+        \putratom{120}{-452}{\@@tmpb}%     % right type

+      \else\if\@@tmpa 6\relax%

+        \putratom{233}{-452}{\@@tmpb}%     % right type

+      \else\if\@@tmpa 7\relax%

+        \putratom{272}{-360}{\@@tmpb}%     % right type

+      \else\if\@@tmpa 8\relax%

+        \putratom{120}{-110}{\@@tmpb}%     % right type

+      \else\ifx\@@tmpa\aax\relax%

+        \putratom{120}{-110}{\@@tmpb}%     % right type

+      \else\ifx\@@tmpa\aay\relax%

+        \putratom{233}{-110}{\@@tmpb}%     % right type

+      \else\if\@@tmpa 9\relax%

+        \putratom{233}{-110}{\@@tmpb}%     % right type

+      \else\if\@@tmpa 0\relax%

+        \putratom{196}{-30}{\@@tmpb}%      % right type

+      \fi\fi\fi\fi\fi\fi\fi\fi\fi\fi\fi\fi%

+% ***********************

+% * setting fused rings *

+% ***********************

+   \expandafter\twoCH@R\member//%

+   \set@fusion@nonah

+\fi\fi\fi\fi\fi\fi\fi\fi\fi%

+\fi\fi\fi\fi\fi\fi}%

+%    \end{macrocode}

+%

+%    \begin{macrocode}

+% %%%%%%%%%%%%%%%%%%%%%%%%

+% % setting hetero atoms %

+% %%%%%%%%%%%%%%%%%%%%%%%%

+\iniflag

+\@tmpclipfalse

+\put(0,0){\set@hetatom@sixh{#3}{5}{1}{5}{-1}%

+   \if@aclip \global\@acliptrue\fi

+   \if@bclip \global\@bcliptrue\fi

+   \if@cclip \global\@ccliptrue\fi

+}% %substituents on 1 to 3

+\put(0,-342){\set@hetatom@sixh{#3}{11}{3}{7}{-1}%

+ \@gclipfalse \if@fclip \global\@gcliptrue \fi%

+ \@fclipfalse \if@eclip \global\@fcliptrue \fi%      

+ \@eclipfalse \if@clip \global\@ecliptrue \fi%

+}%substituents on 5 to 7

+\put(0,-342){\set@hetatom@sixh{#3}{-3}{0}{2}{0}%

+ \@aclipfalse \if@aclip \global\@hcliptrue \fi%

+}%%substituent on 4

+\put(0,0){\set@vrtx@nonafuseh{#3}%

+  \@tmpclipfalse

+  \if@iclip \global\@tmpcliptrue \fi

+  \if@jclip \global\@icliptrue \fi

+  \if@tmpclip \global\@jcliptrue \fi

+}% fused positions

+%    \end{macrocode}

+%

+%    \begin{macrocode}

+% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%

+% % setting substituents and exocyclic bonds %

+% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%

+\put(0,0){\setsixringh{#4}{5}{1}{5}{-1}}%  %substituents on 1 to 3

+{\@clipfalse \if@eclip \@cliptrue \fi%     %substituents on 5 to 7

+ \@eclipfalse \if@fclip \@ecliptrue \fi%

+ \@fclipfalse \if@gclip \@fcliptrue \fi%

+\put(0,-342){\setsixringh{#4}{11}{3}{7}{-1}}%

+}%

+{\@aclipfalse \if@hclip \@acliptrue \fi%   %substituent on 4

+\put(0,-342){\setsixringh{#4}{-3}{0}{2}{0}}%

+}%

+{\@clipfusefalse \if@iclip \@clipfusetrue \fi%

+ \put(303,-171){\setatombond{#4}{-8}{4}}%   %9 for 7a position

+}%

+{\@clipfusefalse \if@jclip \@clipfusetrue \fi%

+  \put(103,-171){\setatombond{#4}{-7}{10}}% %8 for 3a position

+}%

+\end{picture}\iniatom\iniflag}%        %end of \nonaheteroh macro

+%    \end{macrocode}

+% \end{macro}

+% \end{macro}

+% \end{macro}

+% \end{macro}

+%

+% The macro |\set@vrtx@nonafuseh| is an inner command contained 

+% in the definition of |\nonaheteroh|, where the macro is used to set 

+% a hetero atom on a vertex of a bridgehead location.  

+% \changes{v2.00}{1998/12/05}{New command: \cs{set@vrtx@nonafuseh}}

+%

+% \begin{macro}{\set@vrtx@nonafuseh}

+%    \begin{macrocode}

+\def\set@vrtx@nonafuseh#1{%

+\@forsemicol\member:=#1\do{%

+\ifx\member\empty\else

+\expandafter\@m@mb@r\member;\relax%

+\expandafter\twoch@r\@membera{}%

+\ifcase\@tmpa\or\or

+ \or%%%%3

+   \if\@tmpb a%

+     \global\@icliptrue%

+     \putlatom{135}{-211}{\@memberb}%             % left type

+   \else\if\@tmpb h%

+      \XyMTeXWarning{Forbidden fused position `3a' or `8'}%

+   \else\if\@tmpb s%

+      \XyMTeXWarning{Forbidden fused position `3a' or `8'}%

+   \else\ifx\@tmpb\empty\relax

+   \else

+      \XyMTeXWarning{Forbidden fused position `3a' or `8'}%

+   \fi\fi\fi\fi

+ \or\or\or

+ \or%7

+   \if\@tmpb a%

+     \global\@jcliptrue%

+     \putratom{273}{-211}{\@memberb}%             % right type

+   \else\if\@tmpb h%

+      \XyMTeXWarning{Forbidden fused position `7a' or `9'}%

+   \else\if\@tmpb s%

+      \XyMTeXWarning{Forbidden fused position `7a' or `9'}%

+   \else\ifx\@tmpb\empty\relax

+   \else

+      \XyMTeXWarning{Forbidden fused position `7a' or `9'}%

+   \fi\fi\fi\fi

+\or%8 (= 3a)

+   \ifx\@tmpb\empty%

+     \global\@icliptrue%

+     \putlatom{135}{-211}{\@memberb}%             % left type

+   \else

+      \XyMTeXWarning{Forbidden fused position `3a' or `8'}%

+   \fi

+\or%9 (= 7a)

+   \ifx\@tmpb\empty%

+     \global\@jcliptrue%

+     \putratom{273}{-211}{\@memberb}%             % right type

+   \else

+      \XyMTeXWarning{Forbidden fused position `7a' or `9'}%

+   \fi

+\fi\fi}%

+}% end of the macro \set@vrtx@nonafuseh

+%    \end{macrocode}

+% \end{macro}

+%

+% \subsection{Inverse horizontal type}

+%

+% The standard skeleton of a six-to-five fused heterocycle is selected 

+% to have the following locant numbers. 

+%

+% \begin{verbatim}

+% ************************************

+% * nonahetero derivatives           *

+% *  (horizontal type, inverse type) *

+% ************************************

+% The following numbering is adopted in this macro. 

+%

+%

+%           2   3

+%

+%        1       

+%

+%       (9)7a   3a(8)

+%

+%       7          4

+%

+%           6   5

+%   ____                     ____

+%  |cf.                          |

+%  |        7 (9) 1              |

+%  |        *  7a *              |

+%  |   6  *   * *   *  2         |

+%  |     |     |     |           |

+%  |     |     |     |           |

+%  |   5  *   * -----  3         |

+%  |        *  3a                |

+%  |        4 (8)                |

+%  |        ^                    |

+%  |        |                    |

+%  |        the original point   |

+%  |____                     ____|

+% \end{verbatim}

+%

+% The macro |\nonaheterohi| has two arguments |ATOMLIST| and |SUBSLIST| 

+% as well as an optional argument |BONDLIST|.  

+% Two optional arguments |SKBONDLIST| and |OMIT| are added to 

+% treat stereochemical information or other bond situations. 

+%

+% \begin{verbatim}

+%   \nonaheterohi(SKBONDLIST)[BONDLIST]{ATOMLIST}{SUBSLIST}[OMIT]

+% \end{verbatim}

+%

+% The |SKBONDLIST| argument contains pairs of two alphabets in 

+% parentheses, e.g. (\{bA\}\{fB\}).  Each pair contains a lowercase 

+% character selected from bond specifiers `a' to `j' and a uppercase

+% character `A' or `B'. 

+%

+% The |BONDLIST| argument contains one 

+% character selected from a to j, each of which indicates the presence of 

+% an inner (endcyclic) double bond on the corresponding position. 

+% The options `A' and `B' represent aromatic circles in two rings. 

+% The option `$n+$' ($n=1$ to $9$) represents a plus charge on a hetero atom 

+% at the $n$-position. 

+%

+% \begin{verbatim}

+%  

+%     BONDLIST:  list of bonds 

+%

+%           none or r  :  aromatic six-membered ring

+%           []         :  fully saturated form

+%           a    :  1,2-double bond      b    :  2,3-double bond

+%           c    :  3,3a-double bond     d    :  4,3a-double bond

+%           e    :  4,5-double bond      f    :  5,6-double bond

+%           g    :  6,7-double bond      h    :  7,7a-double bond

+%           i    :  1,7a-double bond

+%           j    :  3a,4a-double bond

+%           J    :  3a,4a-double bond in the other ring

+%           A    :  aromatic circle (six-membered)

+%           B    :  aromatic circle (five-membered)

+%           {n+} :  plus at the n-nitrogen atom (n = 1 to 9)

+%           {0+} :  plus (or others) at the center 

+%                    of the five-membered cycle

+% \end{verbatim}

+%

+% The |ATOMLIST| argument contains one or more heteroatom descriptors 

+% which are separated from each other by a semicolon.  Each heteroatom 

+% descriptor consists of a locant number and a heteroatom, 

+% where these are separated with a double equality symbol. 

+%

+% \begin{verbatim}

+%     ATOMLIST: list of heteroatoms (max 9 atoms)

+%

+%       for n = 1 to 7

+%

+%            n         : Hetero atom, e.g. N, O, etc. at n-position

+%                        e.g. 1==N for N at 1-position

+%            na        : Hetero atom at 3a or 7b (n=3 or 7)

+%                        e.g. 3a==N (or 8==N) for N at 4a-position

+%                             7a==N (or 9==N) for N at 8a-position

+% \end{verbatim}

+%

+% The |SUBSLIST| argument contains one or more substitution descriptors 

+% which are separated from each other by a semicolon.  Each substitution 

+% descriptor has a locant number with a bond modifier and a substituent, 

+% where these are separated with a double equality symbol. 

+%

+% \begin{verbatim}

+%     SUBSLIST: list of substituents

+%

+%       for n = 1 to 8

+%

+%           nD         :  exocyclic double bond at n-atom

+%           n or nS    :  exocyclic single bond at n-atom

+%           nA         :  alpha single bond at n-atom

+%           nB         :  beta single bond at n-atom

+%           nSA        :  alpha single bond at n-atom (boldface)

+%           nSB        :  beta single bond at n-atom (dotted line)

+%           nSa        :  alpha (not specified) single bond at n-atom

+%           nSb        :  beta (not specified) single bond at n-atom

+%

+%           nSd        :  alpha single bond at n-atom (dotted line) 

+%                           with an alternative direction to nSA 

+%           nSu        :  beta single bond at n-atom (boldface) 

+%                           with an alternative direction to nSB 

+%           nFA        :  alpha single bond at n-atom (dotted line) 

+%                           for ring fusion 

+%           nFB        :  beta single bond at n-atom (boldface) 

+%                           for ring fusion 

+%           nGA        :  alpha single bond at n-atom (dotted line) 

+%                           for the other ring fusion 

+%           nGB        :  beta single bond at n-atom (boldface) 

+%                           for the other ring fusion 

+%

+%       for 8 (3a position) and 9 (7a position)

+%

+%           nD         :  exocyclic double bond at n-atom

+%           n or nS    :  exocyclic single bond at n-atom

+%           nA         :  alpha single bond at n-atom

+%           nB         :  beta single bond at n-atom

+% \end{verbatim}

+%

+% The argument |OMIT| represents one or more bonds to be omitted. 

+% The omitted edges may be regarded as both fused and non-fused 

+% positions. 

+%

+% \begin{verbatim}

+%     OMIT:  one or more bonds omitted (a to j; see BONDLIST)

+% \end{verbatim}

+%

+% Several examples are shown as follows.

+% \begin{verbatim}

+%       e.g. 

+%        

+%        \nonaheterohi{1==N}{1==Cl;2==F}

+%        \nonaheterohi[c]{1==N}{1==Cl;4==F;2==CH$_{3}$}

+% \end{verbatim}

+%

+% The definition of |\nonaheterohi| uses a picture environment and 

+% consists of the same unit processes as shown in |\sixheteroh|: 

+% \begin{enumerate}

+% \item treatment of atom list, 

+% \item placing outer skeletons, 

+% \item placing inner double bonds, 

+% \item setting hetero atoms, and 

+% \item placing substituents by using |\setsixringh| several times in 

+% a restricted fashion. 

+% \end{enumerate}

+% \changes{v1.02}{1998/10/31}{Adding \cs{ylpositionh}, \cs{if@ylsw},

+% \cs{yl@shifti}, \cs{@ylii}, \cs{yl@shiftii}, \cs{@ylii}, 

+% \cs{yl@xdiff} and \cs{yl@ydiff}}

+% \changes{v2.00}{1998/12/05}{Add: fused and spiro rings}

+%

+% \begin{macro}{\nonaheterohi}

+% \begin{macro}{\@nona@heterohi}

+% \begin{macro}{\@nona@@heterohi}

+% \begin{macro}{\@nonaheterohi}

+%    \begin{macrocode}

+\def\nonaheterohi{\@ifnextchar({\@nona@heterohi(@}{\@nona@heterohi(@)}}

+\def\@nona@heterohi(#1){\@ifnextchar[{\@nona@@heterohi(#1)[@}%

+{\@nona@@heterohi(#1)[@]}}

+\def\@nona@@heterohi(#1)[#2]#3#4{\@ifnextchar[%

+{\@nonaheterohi(#1)[#2]{#3}{#4}[@}%

+{\@nonaheterohi(#1)[#2]{#3}{#4}[@]}}

+\def\@nonaheterohi(#1)[#2]#3#4[#5]{%

+%    \end{macrocode}

+%

+%    \begin{macrocode}

+% %%%%%%%%%%%%%%%%%%%%%%%%%%

+% % treatment of atom list %

+% %%%%%%%%%%%%%%%%%%%%%%%%%%

+\iniflag\iniatom%initialize

+\test@vertix@nonavi{#3}%

+% %%%%%%%%%%%%%%%%%%%%%%%

+% % adjustment for (yl) %

+% %%%%%%%%%%%%%%%%%%%%%%%

+\@reset@ylsw%

+\ylpositionh{#4}{0}{0}{4}{0}%   %substituents on 1 to 3

+\if@ylsw \ifx\@@ylii\empty

+\def\@@ylii{0}\def\@@yli{0}\fi

+\else

+{\let\ddd=\eee\let\eee=\fff\let\fff=\ggg

+\ylpositionh{#4}{0}{3}{7}{0}%%substituents on 4 to 6

+}%

+\fi

+\if@ylsw \ifx\@@ylii\empty

+\def\@@ylii{0}\def\@@yli{342}\fi

+\else

+{\let\aaa=\hhh

+\ylpositionh{#4}{-6}{0}{2}{0}%%substituent on 7

+}%

+\fi

+\if@ylsw \ifx\@@ylii\empty

+\def\@@ylii{0}\def\@@yli{342}\fi

+\else

+{%

+\clipdetection%

+\@clipfusefalse \if@iclip \@clipfusetrue \fi%

+\ylatombondposition{#4}{-7}{4}%  %8 for 3a position

+}%

+\fi

+\if@ylsw \ifx\@@ylii\empty

+\def\@@ylii{-303}\def\@@yli{171}\fi

+\else

+{%

+\clipdetection%

+\@clipfusefalse \if@jclip \@clipfusetrue \fi%

+\ylatombondposition{#4}{-8}{10}%%9 for 7a position

+}%

+\fi

+\if@ylsw \ifx\@@ylii\empty

+\def\@@ylii{-103}\def\@@yli{171}\fi

+\fi

+\if@ylsw

+ \yl@shiftii=\@ylii

+ \yl@shifti=\@yli

+ \advance\yl@shiftii\@@ylii

+ \advance\yl@shifti\@@yli

+ \advance\yl@shiftii\yl@xdiff

+ \advance\yl@shifti\yl@ydiff

+ \begin{picture}(0,0)(-\yl@shiftii,-\yl@shifti)

+ \reset@yl@xydiff%1999/1/6 by S. Fujita

+\else

+ \begin{picture}(1200,1200)(-400,-800)%

+  \iforigpt \put(-\shiftii,-\shiftiii){\circle*{50}}%

+           \put(-\noshift,-\noshift){\circle{50}}% 

+   \typeout{command `nonaheterohi' origin: %

+    (\the\noshift,\the\noshift) ---> (\the\shiftii,\the\shiftiii)}\fi%

+\fi

+%    \end{macrocode}

+%

+%    \begin{macrocode}

+% %%%%%%%%%%%%%%%%%%

+% % outer skeleton %

+% %%%%%%%%%%%%%%%%%%

+\begingroup

+\resetbdsw%

+\@bond@@omit{#5}%

+{\let\fff=\jjj \let\eee=\iii%

+\set@skel@bondh{#1}{a}{a}% bond between 1 and 2 \@aaa -> \hskbonda etc

+\set@skel@bondh{#1}{b}{b}% bond between 2 and 3 \@bbb -> \hskbondb etc

+\set@skel@longbond{#1}{c}{hskbondverti}%

+      % bond between 3 and 3a \@ccc -> \hskbondverti etc

+\set@skel@bondh{#1}{j}{e}% bond between 3a and 7a \@jjj -> \hskbonde etc

+\set@skel@bondh{#1}{i}{f}% bond between 7a and 1 \@iii -> \hskbondf etc

+}%

+{\let\aaa=\hhh \let\ddd=\eee\let\eee=\fff\let\fff=\ggg%

+ \let\ccc=\iii\let\bbb=\jjj%

+\put(0,-342){\set@skel@bondh{#1}{h}{a}}%

+  % bond between 7a and 7 \@hhh -> \hskbonda etc

+\put(0,-342){\set@skel@bondh{#1}{d}{c}}%

+  % bond between 3a and 4 \@ddd -> \hskbondc etc

+\put(0,-342){\set@skel@bondh{#1}{e}{d}}%

+  % bond between 4 and 5 \@eee -> \hskbondd etc

+\put(0,-342){\set@skel@bondh{#1}{f}{e}}%

+  % bond between 5 and 6 \@fff -> \hskbonde etc

+\put(0,-342){\set@skel@bondh{#1}{g}{f}}%

+  % bond between 6 and 7 \@ggg -> \hskbondf etc

+}%

+\endgroup

+%    \end{macrocode}

+%

+%    \begin{macrocode}

+% %%%%%%%%%%%%%%%%%%%%%

+% % inner double bond %

+% %%%%%%%%%%%%%%%%%%%%%

+\@tfor\member:=#2\do{%

+\if\member r\relax%

+{\let\aaa=\hhh \let\ddd=\eee\let\eee=\fff\let\fff=\ggg%

+ \let\ccc=\iii\let\bbb=\jjj%

+ \put(0,-342){\hbondb}% bond between 3a and 7a

+ \put(0,-342){\hbondf}% bond between 6 and 7

+ \put(0,-342){\hbondd}% bond between 4 and 5

+}%

+\else \if\member l\relax%

+\else \if\member a\relax%

+ \put(0,0){\hbonda}% bond between 1 and 2

+\else \if\member b\relax%

+ \put(0,0){\hbondb}% bond between 2 and 3

+\else \if\member c\relax%

+ \put(0,0){\hbondverti}% bond between 3 and 3a

+\else \if\member d\relax%

+{\let\ccc=\iii \let\ddd=\eee%

+ \put(0,-342){\hbondc}% bond between 4 and 3a

+}%

+\else \if\member e\relax%

+{\let\ddd=\eee\let\eee=\fff%

+ \put(0,-342){\hbondd}% bond between 4 and 5

+}%

+\else \if\member f\relax%

+{\let\eee=\fff \let\fff=\ggg%

+ \put(0,-342){\hbonde}% bond between 5 and 6

+}%

+\else \if\member g\relax%

+{\let\aaa=\hhh \let\fff=\ggg%

+ \put(0,-342){\hbondf}% bond between 7 and 6

+}%

+\else \if\member h\relax%

+{\let\aaa=\hhh \let\bbb=\jjj%

+ \put(0,-342){\hbonda}% bond between 7 and 7a

+}%

+\else \if\member i\relax%

+{\let\fff=\jjj%

+ \put(0,0){\hbondf}% bond between 1 and 7a

+}%

+\else \if\member j\relax%

+{\let\ccc=\iii\let\bbb=\jjj%

+ \put(0,-342){\hbondb}% bond between 7a and 3a

+}%

+\else \if\member J\relax%

+{\let\eee=\iii\let\fff=\jjj%

+ \put(0,0){\hbonde}% bond between 7a and 3a

+}%

+\else \if\member B%aromatic circle 

+  \put(173,0){\circle{180}}%               %circle (five-membered)

+\else \if\member A%aromatic circle 

+  \put(203,-342){\circle{240}}%            %circle (six-membered)

+\else

+ \expandafter\twoCH@@R\member//%

+  \def\aax{7a} \def\aay{3a}%

+      \if\@@tmpa 1\relax%

+        \putratom{68}{-18}{\@@tmpb}%       % right type

+      \else\if\@@tmpa 3\relax%

+        \putratom{233}{60}{\@@tmpb}%       % right type

+      \else\if\@@tmpa 2\relax%

+        \putratom{120}{60}{\@@tmpb}%       % right type

+      \else\if\@@tmpa 7\relax%

+        \putratom{68}{-360}{\@@tmpb}%      % right type

+      \else\if\@@tmpa 6\relax%

+        \putratom{120}{-452}{\@@tmpb}%     % right type

+      \else\if\@@tmpa 5\relax%

+        \putratom{233}{-452}{\@@tmpb}%     % right type

+      \else\if\@@tmpa 4\relax%

+        \putratom{272}{-360}{\@@tmpb}%     % right type

+      \else\if\@@tmpa 9\relax%

+        \putratom{120}{-110}{\@@tmpb}%     % right type

+      \else\ifx\@@tmpa\aax\relax%

+        \putratom{120}{-110}{\@@tmpb}%     % right type

+      \else\ifx\@@tmpa\aay\relax%

+        \putratom{233}{-110}{\@@tmpb}%     % right type

+      \else\if\@@tmpa 8\relax%

+        \putratom{233}{-110}{\@@tmpb}%     % right type

+      \else\if\@@tmpa 0\relax%

+        \putratom{140}{-30}{\@@tmpb}%      % right type

+      \fi\fi\fi\fi\fi\fi\fi\fi\fi\fi\fi\fi%

+% ***********************

+% * setting fused rings *

+% ***********************

+   \expandafter\twoCH@R\member//%

+   \set@fusion@nonahi

+\fi\fi\fi\fi\fi\fi\fi\fi\fi%

+\fi\fi\fi\fi\fi\fi}%

+%    \end{macrocode}

+%

+%    \begin{macrocode}

+% %%%%%%%%%%%%%%%%%%%%%%%%

+% % setting hetero atoms %

+% %%%%%%%%%%%%%%%%%%%%%%%%

+\iniflag

+\put(0,0){\set@hetatom@sixh{#3}{0}{0}{4}{0}%

+   \if@aclip \global\@acliptrue\fi

+   \if@bclip \global\@bcliptrue\fi

+   \if@cclip \global\@ccliptrue\fi

+}% %substituents on 1 to 3

+\put(0,-342){\set@hetatom@sixh{#3}{0}{3}{7}{0}%

+   \@gclipfalse \if@fclip \global\@gcliptrue \fi%

+   \@fclipfalse \if@eclip \global\@fcliptrue \fi%

+   \@eclipfalse \if@clip \global\@ecliptrue \fi}%substituents on 4 to 6

+\put(0,-342){\set@hetatom@sixh{#3}{-6}{0}{2}{0}%

+  \@hclipfalse \if@aclip \global\@hcliptrue \fi}%%substituent on 7

+\put(0,0){\set@vrtx@nonafusehi{#3}%

+  \if@iclip \global\@icliptrue \fi

+  \if@jclip \global\@jcliptrue \fi}% fused positions

+%    \end{macrocode}

+%

+%    \begin{macrocode}

+% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%

+% % setting substituents and exocyclic bonds %

+% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%

+\put(0,0){\setsixringh{#4}{0}{0}{4}{0}}%   %substituents on 1 to 3

+{\@clipfalse \if@eclip \@cliptrue \fi%     %substituents on 4 to 6

+ \@eclipfalse \if@fclip \@ecliptrue \fi%

+ \@fclipfalse \if@gclip \@fcliptrue \fi%

+\put(0,-342){\setsixringh{#4}{0}{3}{7}{0}}%

+}%

+{\@aclipfalse \if@hclip \@acliptrue \fi%   %substituent on 7

+\put(0,-342){\setsixringh{#4}{-6}{0}{2}{0}}%

+}%

+{\@clipfusefalse \if@iclip \@clipfusetrue \fi%

+ \put(303,-171){\setatombond{#4}{-7}{4}}%  %8 for 3a position

+}%

+{\@clipfusefalse \if@jclip \@clipfusetrue \fi%

+  \put(103,-171){\setatombond{#4}{-8}{10}}%%9 for 7a position

+}%

+\end{picture}\iniatom\iniflag}%      %end of \nonaheterohi macro

+%    \end{macrocode}

+% \end{macro}

+% \end{macro}

+% \end{macro}

+% \end{macro}

+%

+% The command |\set@vrtx@nonafusehi| is to set an atom (stored as 

+% |\@memberb|) at one (stored as |\@tmpa|) of the fused vertices 

+% of a six-five ring.  

+% These vertices are incapable of accomodating a spiro group. 

+% On the other hand, the other positions can take spiro groups 

+% (stored as |\@memberb|), which are treated by means of 

+% the command |\set@hetatom@sixh|. 

+% The command |\set@vrtx@nonafusehi| is used in such commands 

+% as |\nonaheterohi| for treating thier ATOMLISTs, 

+%

+% \begin{macro}{\set@vrtx@nonafusehi}

+% \changes{v2.00}{1998/12/5}{New command: \cs{set@vrtx@nonafusehi}}
+%    \begin{macrocode}

+\def\set@vrtx@nonafusehi#1{%

+\@forsemicol\member:=#1\do{%

+\ifx\member\empty\else

+\expandafter\@m@mb@r\member;\relax%

+\expandafter\twoCH@R\@membera//%

+\ifcase\@tmpa%

+ \or

+ \or

+ \or%%%%3

+   \if\@tmpb a%

+     \global\@icliptrue%

+     \putratom{273}{-211}{\@memberb}%            % right type

+   \else\relax

+   \fi

+ \or%4

+ \or%5

+ \or%6

+ \or%7

+   \if\@tmpb a%

+     \global\@jcliptrue%

+     \putlatom{135}{-211}{\@memberb}%            % left type

+   \else\relax

+   \fi

+\or%8 (= 3a)

+   \ifx\@tmpb\empty

+     \global\@icliptrue%

+     \putratom{273}{-211}{\@memberb}%            % right type

+   \else

+     \XyMTeXWarning{Forbidden spiro ring for the 3a position}%

+   \fi

+\or%9 (= 7a)

+   \ifx\@tmpb\empty

+     \global\@jcliptrue%

+     \putlatom{135}{-211}{\@memberb}%            % left type

+   \else

+     \XyMTeXWarning{Forbidden spiro ring for the 7a position}%

+   \fi

+\fi\fi}%

+}% end of the macro \set@vrtx@nonafusehi

+%    \end{macrocode}

+% \end{macro}

+%

+% \subsection{Short-cut commands for fused heterocycles}

+%

+% The macros |\nonaheteroh| and |\nonaheterohi| can be used in the 

+% form of a fixed |ATOMLIST|.  Hence, the resulting commands for 

+% drawing a fused heterocyle with one or more nitrogen atoms 

+% have an argument |SUBSLIST| as well as an optional argument |BONDLIST|. 

+%

+% \begin{verbatim}

+% **********************************************************

+% * heterocycles having fused six- and five-membered rings *

+% *  (horizontal type)                                     *

+% **********************************************************

+%

+%   N-heterocycles:

+%

+%   \indoleh[BONDLIST]{SUBSLIST}

+%   \indolehi[BONDLIST]{SUBSLIST}

+%

+%   \isoindoleh[BONDLIST]{SUBSLIST}

+%   \isoindolehi[BONDLIST]{SUBSLIST}

+%

+%   \indolizineh[BONDLIST]{SUBSLIST}

+%   \indolizinehi[BONDLIST]{SUBSLIST}

+%          (different from the IUPAC numbering)

+%

+%   \purineh[BONDLIST]{SUBSLIST}

+%   \purinehi[BONDLIST]{SUBSLIST}

+%          (different from the IUPAC numbering)

+%

+%   O-heterocycles:

+%

+%   \benzofuraneh[BONDLIST]{SUBSLIST}

+%   \benzofuranehi[BONDLIST]{SUBSLIST}

+%

+%   \isobenzofuranehi[BONDLIST]{SUBSLIST}

+%

+%   \benzoxazoleh[BONDLIST]{SUBSLIST}

+%   \benzoxazolehi[BONDLIST]{SUBSLIST}

+% \end{verbatim}

+%

+% The |BONDLIST| argument contains one 

+% character selected from a to j, each of which indicates the presence of 

+% an inner (endcyclic) double bond on the corresponding position. 

+% The optiona `A' typesets an aromatic circle. 

+% The option 

+% `$n+$' ($n=1$ to $9$) represents a plus charge on a hetero atom 

+% at the $n$-position. 

+%

+% \begin{verbatim}

+%     BONDLIST:  list of bonds 

+%

+%           none or r  :  aromatic six-membered ring

+%           []         :  fully saturated form

+%           a    :  1,2-double bond      b    :  2,3-double bond

+%           c    :  3,3a-double bond     d    :  4,3a-double bond

+%           e    :  4,5-double bond      f    :  5,6-double bond

+%           g    :  6,7-double bond      h    :  7,7a-double bond

+%           i    :  1,7a-double bond

+%           j    :  3a,4a-double bond

+%           J    :  3a,4a-double bond in the other ring

+%           A    :  aromatic circle

+%           {n+}       :  plus at the n-nitrogen atom (n = 1 to 9)

+% \end{verbatim}

+%

+% The |SUBSLIST| argument contains one or more substitution descriptors 

+% which are separated from each other by a semicolon.  Each substitution 

+% descriptor has a locant number with a bond modifier and a substituent, 

+% where these are separated with a double equality symbol. 

+%

+% \begin{verbatim}

+%     SUBSLIST: list of substituents

+%

+%       for n = 1 to 8

+%

+%           nD         :  exocyclic double bond at n-atom

+%           n or nS    :  exocyclic single bond at n-atom

+%           nA         :  alpha single bond at n-atom

+%           nB         :  beta single bond at n-atom

+%           nSA        :  alpha single bond at n-atom (boldface)

+%           nSB        :  beta single bond at n-atom (dotted line)

+%           nSa        :  alpha (not specified) single bond at n-atom

+%           nSb        :  beta (not specified) single bond at n-atom

+%

+%           nSd        :  alpha single bond at n-atom (dotted line) 

+%                           with an alternative direction to nSA 

+%           nSu        :  beta single bond at n-atom (boldface) 

+%                           with an alternative direction to nSB 

+%           nFA        :  alpha single bond at n-atom (dotted line) 

+%                           for ring fusion 

+%           nFB        :  beta single bond at n-atom (boldface) 

+%                           for ring fusion 

+%           nGA        :  alpha single bond at n-atom (dotted line) 

+%                           for the other ring fusion 

+%           nGB        :  beta single bond at n-atom (boldface) 

+%                           for the other ring fusion 

+%

+%       for 8 (3a position) and 9 (7a position)

+%

+%           nD         :  exocyclic double bond at n-atom

+%           n or nS    :  exocyclic single bond at n-atom

+%           nA         :  alpha single bond at n-atom

+%           nB         :  beta single bond at n-atom

+% \end{verbatim}

+%

+% Several examples are shown as follows.

+% \begin{verbatim}

+%       e.g. 

+%        

+%        \indoleh{1==N}{1==Cl;2==F}

+%        \indoleh[c]{1==N}{1==Cl;4==F;2==CH$_{3}$}

+% \end{verbatim}

+%

+% \begin{macro}{\purineh}

+% \begin{macro}{\purinehi}

+%    \begin{macrocode}

+\def\purineh{\@ifnextchar[{\@purineh[@}{\@purineh[ra]}}%

+\def\@purineh[#1]#2{%

+\iforigpt \typeout{command `purineh' %

+ is based on `nonaheteroh'.}\fi%

+\nonaheteroh[#1]{1==N;3==N;5==N;7==N}{#2}}%

+\def\purinehi{\@ifnextchar[{\@purinehi[@}{\@purinehi[ra]}}%

+\def\@purinehi[#1]#2{%

+\iforigpt \typeout{command `purinehi' %

+ is based on `nonaheterohi'.}\fi%

+\nonaheterohi[#1]{1==N;3==N;5==N;7==N}{#2}}%

+%    \end{macrocode}

+% \end{macro}

+% \end{macro}

+%

+% \begin{macro}{\indoleh}

+% \begin{macro}{\indolehi}

+%    \begin{macrocode}

+\def\indoleh{\@ifnextchar[{\@indoleh[@}{\@indoleh[rb]}}%

+\def\@indoleh[#1]#2{%

+\iforigpt \typeout{command `indoleh' %

+ is based on `nonaheteroh'.}\fi%

+\nonaheteroh[#1]{1==N}{#2}}%

+\def\indolehi{\@ifnextchar[{\@indolehi[@}{\@indolehi[rb]}}%

+\def\@indolehi[#1]#2{%

+\iforigpt \typeout{command `indolehi' %

+ is based on `nonaheterohi'.}\fi%

+\nonaheterohi[#1]{1==N}{#2}}%

+%    \end{macrocode}

+% \end{macro}

+% \end{macro}

+%

+% \begin{macro}{\indolizineh}

+% \begin{macro}{\indolizinehi}

+%    \begin{macrocode}

+\def\indolizineh{%

+ \@ifnextchar[{\@indolizineh[@}{\@indolizineh[aceg]}}%

+\def\@indolizineh[#1]#2{%

+\iforigpt \typeout{command `indolizineh' %

+  is based on `nonaheteroh'.}\fi%

+\nonaheteroh[#1]{7a==N}{#2}}%

+\def\indolizinehi{%

+ \@ifnextchar[{\@indolizinehi[@}{\@indolizinehi[aceg]}}%

+\def\@indolizinehi[#1]#2{%

+\iforigpt \typeout{command `indolizinehi' %

+ is based on `nonaheterohi'.}\fi%

+\nonaheterohi[#1]{7a==N}{#2}}%

+%    \end{macrocode}

+% \end{macro}

+% \end{macro}

+%

+% \begin{macro}{\isoindoleh}

+% \begin{macro}{\isoindolehi}

+%    \begin{macrocode}

+\def\isoindoleh{%

+ \@ifnextchar[{\@isoindoleh[@}{\@isoindoleh[cegi]}}%

+\def\@isoindoleh[#1]#2{%

+\iforigpt \typeout{command `isoindoleh' %

+ is based on `nonaheteroh'.}\fi%

+\nonaheteroh[#1]{2==N}{#2}}%

+\def\isoindolehi{%

+ \@ifnextchar[{\@isoindolehi[@}{\@isoindolehi[cegi]}}%

+\def\@isoindolehi[#1]#2{%

+\iforigpt \typeout{command `isoindolehi' %

+ is based on `nonaheterohi'.}\fi%

+\nonaheterohi[#1]{2==N}{#2}}%

+%    \end{macrocode}

+% \end{macro}

+% \end{macro}

+%

+% \begin{macro}{\benzofuraneh}

+% \begin{macro}{\benzofuranehi}

+%    \begin{macrocode}

+\def\benzofuraneh{%

+ \@ifnextchar[{\@benzofuraneh[@}{\@benzofuraneh[rb]}}%

+\def\@benzofuraneh[#1]#2{%

+\iforigpt \typeout{command `benzofuraneh' %

+ is based on `nonaheteroh'.}\fi%

+\nonaheteroh[#1]{1==O}{#2}}%

+\def\benzofuranehi{%

+ \@ifnextchar[{\@benzofuranehi[@}{\@benzofuranehi[rb]}}%

+\def\@benzofuranehi[#1]#2{%

+\iforigpt \typeout{command `benzofuranehi' %

+ is based on `nonaheterohi'.}\fi%

+\nonaheterohi[#1]{1==O}{#2}}%

+%    \end{macrocode}

+% \end{macro}

+% \end{macro}

+%

+% \begin{macro}{\isobenzofuraneh}

+% \begin{macro}{\isobenzofuranehi}

+%    \begin{macrocode}

+\def\isobenzofuraneh{\@ifnextchar[{\@isobenzofuraneh[@}%

+ {\@isobenzofuraneh[cegi]}}%

+\def\@isobenzofuraneh[#1]#2{%

+\iforigpt \typeout{command `isobenzofuraneh' %

+ is based on `nonaheteroh'.}\fi%

+\nonaheteroh[#1]{2==O}{#2}}%

+\def\isobenzofuranehi{\@ifnextchar[{\@isobenzofuranehi[@}%

+ {\@isobenzofuranehi[cegi]}}%

+\def\@isobenzofuranehi[#1]#2{%

+\iforigpt \typeout{command `isobenzofuranehi' %

+ is based on `nonaheterohi'.}\fi%

+\nonaheterohi[#1]{2==O}{#2}}%

+%    \end{macrocode}

+% \end{macro}

+% \end{macro}

+%

+% \begin{macro}{\benzoxazoleh}

+% \begin{macro}{\benzoxazolehi}

+%    \begin{macrocode}

+\def\benzoxazoleh{%

+ \@ifnextchar[{\@benzoxazoleh[@}{\@benzoxazoleh[rb]}}%

+\def\@benzoxazoleh[#1]#2{%

+\iforigpt \typeout{command `benzoxazoleh' %

+ is based on `nonaheteroh'.}\fi%

+\nonaheteroh[#1]{1==O;3==N}{#2}}%

+\def\benzoxazolehi{%

+ \@ifnextchar[{\@benzoxazolehi[@}{\@benzoxazolehi[rb]}}%

+\def\@benzoxazolehi[#1]#2{%

+\iforigpt \typeout{command `benzoxazolehi' %

+ is based on `nonaheterohi'.}\fi%

+\nonaheterohi[#1]{1==O;3==N}{#2}}%

+%    \end{macrocode}

+% \end{macro}

+% \end{macro}

+%

+% \section{Building blocks}

+% \subsection{Six-membered ring unit}

+%

+% The old function (v1.01) of |\sixunitv| as a fusing ring unit 

+% is succeeded by |\sixfusev| and |\sixfusevi|. 

+% The command |\sixunitv| has been changed into a subsidiary 

+% command of |\sixheterov| (v2.00). 

+%

+% The macro |\sixunith| is a six-membered fragment that can be 

+% fused to another 

+% ring structure to produce a new ring system. The following 

+% numbering is adopted in this macro. 

+%

+% \begin{verbatim}

+% **********************

+% * six-membered unit  *

+% *  (horizontal type) *

+% **********************

+%                                   b

+%                                2      3  

+%                            a    -----    c

+%                               *       *

+%   the original point ===> 1 *           * 4

+%          (0,0)                *       *  d

+%                            f    -----

+%                                6      5 

+%                                   e

+% \end{verbatim}

+%

+% The macro |\sixunith| has three arguments |ATOMLIST|, |SUBSLIST| 

+% and |OMIT| 

+% as well as an optional argument |BONDLIST|. 

+%

+% \begin{verbatim}

+%   \sixunith[BONDLIST]{ATOMLIST}{SUBSLIST}{OMIT}

+% \end{verbatim}

+%

+% The |BONDLIST| argument contains one 

+% character selected from a to f, each of which indicates the presence of 

+% an inner (endcyclic) double bond on the corresponding position. 

+% The option `$n+$' ($n=1$ to $6$) represents a plus charge on a hetero atom 

+% at the $n$-position. 

+%

+% \begin{verbatim}

+%     BONDLIST = 

+%

+%           none       :  fully saturated

+%           a          :  1,2-double bond

+%           b          :  2,3-double bond

+%           c          :  4,3-double bond

+%           d          :  4,5-double bond

+%           e          :  5,6-double bond

+%           f          :  6,1-double bond

+%           {n+}       :  plus at the n-nitrogen atom (n = 1 to 6)

+% \end{verbatim}

+%

+% The |ATOMLIST| argument contains one or more heteroatom descriptors 

+% which are separated from each other by a semicolon.  Each heteroatom 

+% descriptor consists of a locant number and a heteroatom, 

+% where these are separated with a double equality symbol. 

+%

+% \begin{verbatim}

+%     ATOMLIST: list of heteroatoms (max 6 atoms)

+%

+%       for n = 1 to 6

+%

+%           n          : Hetero atom, e.g. N, O, etc. at n-position, 

+%                        e.g. 1==N for N at 1-position

+% \end{verbatim}

+%

+% The |SUBSLIST| argument contains one or more substitution descriptors 

+% which are separated from each other by a semicolon.  Each substitution 

+% descriptor has a locant number with a bond modifier and a substituent, 

+% where these are separated with a double equality symbol. 

+%

+% \begin{verbatim}

+%     SUBSLIST: list of substituents

+%

+%       for n = 1 to 6 

+%

+%           nD         :  exocyclic double bond at n-atom

+%           n or nS    :  exocyclic single bond at n-atom

+%           nA         :  alpha single bond at n-atom

+%           nB         :  beta single bond at n-atom

+%           nSA        :  alpha single bond at n-atom (boldface)

+%           nSB        :  beta single bond at n-atom (dotted line)

+%           nSa        :  alpha (not specified) single bond at n-atom

+%           nSb        :  beta (not specified) single bond at n-atom

+%

+%           nSd        :  alpha single bond at n-atom (dotted line) 

+%                           with an alternative direction to nSA 

+%           nSu        :  beta single bond at n-atom (boldface) 

+%                           with an alternative direction to nSB 

+%           nFA        :  alpha single bond at n-atom (dotted line) 

+%                           for ring fusion 

+%           nFB        :  beta single bond at n-atom (boldface) 

+%                           for ring fusion 

+%           nGA        :  alpha single bond at n-atom (dotted line) 

+%                           for the other ring fusion 

+%           nGB        :  beta single bond at n-atom (boldface) 

+%                           for the other ring fusion 

+% \end{verbatim}

+%

+% The argument |OMIT| represents one bond to be omitted. 

+% The omitted edge is regarded as a fused position. 

+%

+% \begin{verbatim}

+%     OMIT:  one bond omitted (a, b, c, d, e, or f)

+% \end{verbatim}

+%

+% Several examples are shown as follows.

+% \begin{verbatim}

+%       e.g. 

+%        

+%        \sixhunitv{1==N}{1==Cl;2==F}{e}

+% \end{verbatim}

+%

+% The definition of |\sixunith| uses a picture environment and 

+% consists of the same unit processes as shown in |\sixheteroh|: 

+% \begin{enumerate}

+% \item treatment of atom list, 

+% \item placing outer skeletons, 

+% \item placing inner double bonds, 

+% \item setting hetero atoms, and 

+% \item placing substituents by using |\setsixringh|. 

+% \end{enumerate}

+%

+% \begin{macro}{\sixunith}

+% \begin{macro}{\@sixunith}

+%    \begin{macrocode}

+\def\sixunith{\@ifnextchar[{\@sixunith[@}{\@sixunith[@]}}

+\def\@sixunith[#1]#2#3#4{\sixheteroh[#1]{#2}{#3}[#4]}

+%    \end{macrocode}

+% \end{macro}

+% \end{macro}

+%

+% \begin{verbatim}

+% (Old difinition)

+% % \begin{macro}{\sixunith}

+% % \begin{macro}{\@sixunith}

+% %    \begin{macrocode}

+% \def\sixunith{\@ifnextchar[{\@sixunith}{\@sixunith[r]}}

+% \def\@sixunith[#1]#2#3#4{%

+% %    \end{macrocode}

+% %

+% %    \begin{macrocode}

+% % %%%%%%%%%%%%%%%%%%%%%%%%%%

+% % % treatment of atom list %

+% % %%%%%%%%%%%%%%%%%%%%%%%%%%

+% \iniatom\iniflag%initialize%

+% \@forsemicol\member:=#2\do{%

+% \expandafter\@m@mb@r\member;\relax%

+% \expandafter\twoch@r\@membera{}%

+% \ifcase\@tmpa%

+%  \or \xdef\aaa{\@memberb}%

+%  \or \xdef\bbb{\@memberb}%

+%  \or \xdef\ccc{\@memberb}%

+%  \or \xdef\ddd{\@memberb}%

+%  \or \xdef\eee{\@memberb}%

+%  \or \xdef\fff{\@memberb}%

+% \fi}%

+%  \begin{picture}(800,880)(-240,-400)%

+%   \iforigpt \put(-\shifti,-\shiftii){\circle*{50}}%

+%            \put(-\noshift,-\noshift){\circle{50}}% 

+%    \typeout{command `sixunith' origin: %

+%     (\the\noshift,\the\noshift) ---> (\the\shifti,\the\shiftii)}\fi%

+% %    \end{macrocode}

+% %

+% %    \begin{macrocode}

+% % %%%%%%%%%%%%%%%%%%

+% % % outer skeleton %

+% % %%%%%%%%%%%%%%%%%%

+% % changed OMIT into a list 1993/11/21 by Shinsaku Fujita

+% {\resetbdsw%

+% \@tfor\memBer:=#4\do{%

+% \if\memBer a\relax\gdef\@aaa{}\fi%

+% \if\memBer b\relax\gdef\@bbb{}\fi%

+% \if\memBer c\relax\gdef\@ccc{}\fi%

+% \if\memBer d\relax\gdef\@ddd{}\fi%

+% \if\memBer e\relax\gdef\@eee{}\fi%

+% \if\memBer f\relax\gdef\@fff{}\fi%

+% }%

+% \if\@aaa a\relax\hskbonda\fi% bond between 1 and 2

+% \if\@bbb b\relax\hskbondb\fi% bond between 2 and 3

+% \if\@ccc c\relax\hskbondc\fi% bond between 3 and 4

+% \if\@ddd d\relax\hskbondd\fi% bond between 4 and 5

+% \if\@eee e\relax\hskbonde\fi% bond between 5 and 6

+% \if\@fff f\relax\hskbondf\fi% bond between 6 and 1

+% }%

+% %\ifx#4a\relax \else%

+% % \hskbonda% bond between 1 and 2

+% %\fi%

+% %\ifx#4f\relax \else%

+% % \hskbondf% bond between 1 and 6

+% %\fi%

+% %\ifx#4c\relax \else%

+% % \hskbondc% bond between 4 and 3

+% %\fi%

+% %\ifx#4d\relax \else%

+% % \hskbondd% bond between 4 and 5

+% %\fi%

+% %\ifx#4b\relax \else%

+% % \hskbondb% bond between 3 and 2

+% %\fi%

+% %\ifx#4e\relax \else%

+% % \hskbonde% bond between 5 and 6

+% %\fi%

+% %    \end{macrocode}

+% %

+% %    \begin{macrocode}

+% % %%%%%%%%%%%%%%%%%%%%%

+% % % inner double bond %

+% % %%%%%%%%%%%%%%%%%%%%%

+% \@tfor\member:=#1\do{%

+% \if\member r\relax%

+% \else \if\member l\relax%

+% \else \if\member a\relax%

+%  \ifx#4a\relax \else%

+%   \hbonda%

+%  \fi%

+% \else \if\member b\relax%

+%  \ifx#4b\relax \else%

+%    \hbondb%

+%  \fi%

+% \else \if\member c\relax%

+%  \ifx#4c\relax \else%

+%    \hbondc%

+%  \fi%

+% \else \if\member d\relax%

+%  \ifx#4d\relax \else%

+%    \hbondd%

+%  \fi%

+% \else \if\member e\relax%

+%  \ifx#4e\relax \else%

+%    \hbonde%

+%  \fi%

+% \else \if\member f\relax%

+%  \ifx#4f\relax \else%

+%    \hbondf%

+%  \fi%

+% \else \if\member A%left aromatic circle 

+%   \put(203,0){\circle{240}}%                %circle

+% \else \expandafter\twoch@@r\member{}{}%

+%       \if\@@tmpa 4\relax%

+%         \putratom{272}{-18}{\@@tmpb}%       % right type

+%       \else\if\@@tmpa 1\relax%

+%         \putratom{68}{-18}{\@@tmpb}%        % right type

+%       \else\if\@@tmpa 3\relax

+%         \putratom{233}{60}{\@@tmpb}%        % right type

+%       \else\if\@@tmpa 2\relax%

+%         \putratom{120}{60}{\@@tmpb}%        % right type

+%       \else\if\@@tmpa 5\relax%

+%         \putratom{233}{-110}{\@@tmpb}%      % right type

+%       \else\if\@@tmpa 6\relax%

+%         \putratom{120}{-110}{\@@tmpb}%      % right type

+%       \fi\fi\fi\fi\fi\fi%

+% \fi\fi\fi\fi\fi\fi\fi\fi\fi}%

+% %    \end{macrocode}

+% %

+% %    \begin{macrocode}

+% % %%%%%%%%%%%%%%%%%%%%%%%%

+% % % setting hetero atoms %

+% % %%%%%%%%%%%%%%%%%%%%%%%%

+% \ifx\ddd\empty\else%

+%    \@cliptrue%

+%    \putratom{346}{-36}{\ddd}%               % right type

+% \fi%

+% \ifx\aaa\empty\else%

+%      \@acliptrue%

+%      \putlatom{60}{-36}{\aaa}%              % left type

+% \fi%

+% \ifx\bbb\empty\else%

+%      \@bcliptrue%

+%      \putlatom{135}{141}{\bbb}%             % left type

+% \fi%

+% \ifx\ccc\empty\else%

+%      \@ccliptrue%

+%      \putratom{273}{141}{\ccc}%             % right type

+% \fi%

+% \ifx\fff\empty\else%

+%      \@fcliptrue%

+%      \putlatom{135}{-211}{\fff}%            % left type

+% \fi%

+% \ifx\eee\empty\else%

+%      \@ecliptrue%

+%      \putratom{273}{-211}{\eee}%            % right type

+% \fi%

+% \setsixringh{#3}{0}{0}{7}{0}%

+% \end{picture}\iniatom\iniflag}%     %end of \sixunith macro

+% %    \end{macrocode}

+% % \end{macro}

+% % \end{macro}

+% \end{verbatim}

+%

+% \subsection{Five-membered ring unit}

+% \subsubsection{Horizonatl type}

+%

+% The old function (v1.01) of |\fiveunith| as a fusing ring unit 

+% is succeeded by |\fivefuseh|. 

+% The command |\fiveunith| has been changed into a subsidiary 

+% command of |\fiveheteroh| (v2.00). 

+%

+% The macro |\fiveunith| is a five-membered fragment that can be 

+% fused to another 

+% ring structure to produce a new ring system. The following 

+% numbering is adopted in this macro. 

+%

+% \begin{verbatim}

+% **********************

+% * five-membered unit *

+% *  (horizontal type) *

+% **********************

+%

+%     3  _____  2

+%       |       *

+%       |         * 1 <===== the original point

+%       |       *

+%     4  -----  5

+% \end{verbatim}

+%

+% The macro |\fiveunith| has three arguments |ATOMLIST|, |SUBSLIST| 

+% and |OMIT| 

+% as well as an optional argument |BONDLIST|.  

+%

+% \begin{verbatim}

+%   \fiveunith[BONDLIST]{ATOMLIST}{SUBSLIST}{OMIT}

+% \end{verbatim}

+%

+% The |BONDLIST| argument contains one 

+% character selected from a to e, each of which indicates the presence of 

+% an inner (endcyclic) double bond on the corresponding position. 

+% The option `$n+$' ($n=1$ to $5$) represents a plus charge on a hetero atom 

+% at the $n$-position. 

+%

+% \begin{verbatim}

+%     BONDLIST: list of inner double bonds 

+%

+%           a          :  1,2-double bond

+%           b          :  2,3-double bond

+%           c          :  4,3-double bond

+%           d          :  4,5-double bond

+%           e          :  5,1-double bond

+%           A          :  aromatic circle

+%           {n+}       :  plus at the n-nitrogen atom (n = 1 to 5)

+%           {0+}       :  plus (or others) at the center

+% \end{verbatim}

+%

+% The |ATOMLIST| argument contains one or more heteroatom descriptors 

+% which are separated from each other by a semicolon.  Each heteroatom 

+% descriptor consists of a locant number and a heteroatom, 

+% where these are separated with a double equality symbol. 

+%

+% \begin{verbatim}

+%     ATOMLIST: list of heteroatoms (max 5 atoms)

+%

+%       for n = 1 to 5

+%

+%           n          : Hetero atom, e.g. N, O, etc. at n-position

+%                        e.g. 1==N for N at 1-position

+% \end{verbatim}

+%

+% The |SUBSLIST| argument contains one or more substitution descriptors 

+% which are separated from each other by a semicolon.  Each substitution 

+% descriptor has a locant number with a bond modifier and a substituent, 

+% where these are separated with a double equality symbol. 

+%

+% \begin{verbatim}

+%     SUBSLIST: list of substituents

+%

+%       for n = 1 to 5 

+%

+%           nD         :  exocyclic double bond at n-atom

+%           n or nS    :  exocyclic single bond at n-atom

+%           nA         :  alpha single bond at n-atom

+%           nB         :  beta single bond at n-atom

+%           nSA        :  alpha single bond at n-atom (boldface)

+%           nSB        :  beta single bond at n-atom (dotted line)

+%           nSa        :  alpha (not specified) single bond at n-atom

+%           nSb        :  beta (not specified) single bond at n-atom

+%

+%           nSd        :  alpha single bond at n-atom (dotted line) 

+%                           with an alternative direction to nSA 

+%           nSu        :  beta single bond at n-atom (boldface) 

+%                           with an alternative direction to nSB 

+%           nFA        :  alpha single bond at n-atom (dotted line) 

+%                           for ring fusion 

+%           nFB        :  beta single bond at n-atom (boldface) 

+%                           for ring fusion 

+%           nGA        :  alpha single bond at n-atom (dotted line) 

+%                           for the other ring fusion 

+%           nGB        :  beta single bond at n-atom (boldface) 

+%                           for the other ring fusion 

+% \end{verbatim}

+%

+% The argument |OMIT| represents one bond to be omitted. 

+% The omitted edge is regarded as a fused position. 

+%

+% \begin{verbatim}

+%     OMIT:  one bond omitted (a, b, c, d, e, or f)

+% \end{verbatim}

+%

+% Several examples are shown as follows.

+% \begin{verbatim}

+%       e.g. 

+%        

+%        \fiveunith{1==N}{1==H;2==F}{a}

+% \end{verbatim}

+%

+% The definition of |\fiveunith| uses a picture environment and 

+% consists of the same unit processes as shown in |\sixheteroh|: 

+% \begin{enumerate}

+% \item treatment of atom list, 

+% \item placing outer skeletons, 

+% \item placing inner double bonds, 

+% \item setting hetero atoms, and 

+% \item placing substituents by using |\setsixringh| partially. 

+% \end{enumerate}

+%

+% \begin{macro}{\fiveunith}

+% \begin{macro}{\@fiveunith}

+%    \begin{macrocode}

+\def\fiveunith{\@ifnextchar[{\@fiveunith[@}{\@fiveunith[r]}}

+\def\@fiveunith[#1]#2#3#4{\fiveheteroh[#1]{#2}{#3}[#4]}

+%    \end{macrocode}

+% \end{macro}

+% \end{macro}

+%

+% \begin{verbatim}

+% (Old definition)

+% % \begin{macro}{\fiveunith}

+% % \begin{macro}{\@fiveunith}

+% %    \begin{macrocode}

+% \def\fiveunith{\@ifnextchar[{\@fiveunith}{\@fiveunith[r]}}

+% \def\@fiveunith[#1]#2#3#4{%

+% \iniatom\iniflag%initialize

+% %    \end{macrocode}

+% %

+% %    \begin{macrocode}

+% % %%%%%%%%%%%%%%%%%%%%%%%%%%

+% % % treatment of atom list %

+% % %%%%%%%%%%%%%%%%%%%%%%%%%%

+% %\def\aaa{}\def\bbb{}\def\ccc{}\def\ddd{}\def\eee{}\def\fff{}%

+% \@forsemicol\member:=#2\do{%

+% \expandafter\@m@mb@r\member;\relax%

+% \expandafter\twoch@r\@membera{}%

+% \ifcase\@tmpa%

+%  \or \xdef\ddd{\@memberb}%

+%  \or \xdef\ccc{\@memberb}%

+%  \or \xdef\bbb{\@memberb}%

+%  \or \xdef\fff{\@memberb}%

+%  \or \xdef\eee{\@memberb}%

+% \fi}%

+%  \begin{picture}(800,880)(-240,-400)%

+%   \iforigpt \put(-\shifti,-\shiftii){\circle*{50}}%

+%            \put(-\noshift,-\noshift){\circle{50}}% 

+%    \typeout{command `fiveunith' origin: %

+%     (\the\noshift,\the\noshift) ---> (\the\shifti,\the\shiftii)}\fi%

+% %    \end{macrocode}

+% %

+% %    \begin{macrocode}

+% % %%%%%%%%%%%%%%%%%%

+% % % outer skeleton %

+% % %%%%%%%%%%%%%%%%%%

+% % changed OMIT to a list 1993/11/21 by Shinsaku Fujita

+% {\resetbdsw%

+% \@tfor\memBer:=#4\do{%

+% \if\memBer a\relax\gdef\@aaa{}\fi%

+% \if\memBer b\relax\gdef\@bbb{}\fi%

+% \if\memBer c\relax\gdef\@ccc{}\fi%

+% \if\memBer d\relax\gdef\@ddd{}\fi%

+% \if\memBer e\relax\gdef\@eee{}\fi%

+% %\if\memBer f\relax\gdef\@fff{}\fi%

+% }%

+% \if\@aaa a\relax\hskbondc\fi% bond between 1 and 2

+% \if\@bbb b\relax\hskbondb\fi% bond between 2 and 3

+% \if\@ccc c\relax\hskbondvert\fi% bond between 3 and 4

+% \if\@ddd d\relax\hskbonde\fi% bond between 4 and 5

+% \if\@eee e\relax\hskbondd\fi% bond between 5 and 6

+% %\if\@fff f\relax\hskbondf\fi% bond between 6 and 1

+% }%

+% % old

+% %\ifx#4a\relax\else%

+% % \hskbondc%bond between 1 and 2

+% %\fi%

+% %\ifx#4e\relax\else%

+% % \hskbondd%bond between 1 and 5

+% %\fi%

+% %\ifx#4b\relax\else%

+% %  \hskbondb%bond between 2 to 3

+% %\fi%

+% %\ifx#4d\relax\else%

+% % \hskbonde%bond between 5 and 4

+% %\fi%

+% %\ifx#4c\relax\else%

+% % \hskbondvert%bond between 4 and 3

+% %\fi%

+% %    \end{macrocode}

+% %

+% %    \begin{macrocode}

+% % %%%%%%%%%%%%%%%%%%%%%

+% % % inner double bond %

+% % %%%%%%%%%%%%%%%%%%%%%

+% \@tfor\member:=#1\do{%

+% \if\member r%

+% \else \if\member a\relax%

+%  \ifx#4a\relax\else%

+%    \hbondc%

+%  \fi%

+% \else \if\member b\relax%

+%  \ifx#4b\relax\else%

+%   \hbondb%

+%  \fi%

+% \else \if\member c\relax%

+%  \ifx#4c\relax\else%

+%    \hbondvert%

+%  \fi%

+% \else \if\member d\relax%

+%  \ifx#4d\relax\else%

+%   \hbonde%

+%  \fi%

+% \else \if\member e\relax%

+%  \ifx#4e\relax\else%

+%   \hbondd%

+%  \fi%

+% \else \if\member A%left aromatic circle 

+%   \put(233,0){\circle{180}}%               %circle

+% \else \expandafter\twoch@@r\member{}{}%

+%       \if\@@tmpa 1\relax%

+%         \putratom{272}{-18}{\@@tmpb}%      % right type

+%       \else\if\@@tmpa 2\relax%

+%         \putratom{233}{60}{\@@tmpb}%       % right type

+%       \else\if\@@tmpa 3\relax%

+%         \putratom{120}{60}{\@@tmpb}%       % right type

+%       \else\if\@@tmpa 5\relax%

+%         \putratom{233}{-110}{\@@tmpb}%     % right type

+%       \else\if\@@tmpa 4\relax%

+%         \putratom{120}{-110}{\@@tmpb}%     % right type

+%       \else\if\@@tmpa 0\relax%

+%         \putratom{196}{-30}{\@@tmpb}%      % right type

+%       \fi\fi\fi\fi\fi\fi%

+% \fi\fi\fi\fi\fi\fi\fi}%

+% %    \end{macrocode}

+% %

+% %    \begin{macrocode}

+% % %%%%%%%%%%%%%%%%%%%%%%%

+% % % setting heteroatoms %

+% % %%%%%%%%%%%%%%%%%%%%%%%

+% \ifx\ddd\empty\else%

+%    \@cliptrue%

+%    \putratom{346}{-36}{\ddd}%              % right type

+% \fi%

+% \ifx\bbb\empty\else%

+%      \@bcliptrue%

+%      \putlatom{135}{141}{\bbb}%            % left type

+% \fi%

+% \ifx\ccc\empty\else%

+%      \@ccliptrue%

+%      \putratom{273}{141}{\ccc}%            % right type

+% \fi%

+% \ifx\fff\empty\else%

+%      \@fcliptrue%

+%      \putlatom{135}{-211}{\fff}%           % left type

+% \fi%

+% \ifx\eee\empty\else%

+%      \@ecliptrue%

+%      \putratom{273}{-211}{\eee}%           % right type

+% \fi%

+% %    \end{macrocode}

+% %

+% %    \begin{macrocode}

+% % %%%%%%%%%%%%%%%%%%%%%%%%

+% % % setting substituents %

+% % %%%%%%%%%%%%%%%%%%%%%%%%

+% \setsixringh{#3}{5}{1}{5}{-1}%   % for 1 to 3

+% \setsixringh{#3}{10}{4}{7}{-1}%  % for 4 to 5

+% \end{picture}\iniatom\iniflag}%  %end of \fiveunith macro

+% %    \end{macrocode}

+% % \end{macro}

+% % \end{macro}

+% \end{verbatim}

+%

+% \subsubsection{Inverse horizontal type}

+%

+% The old function (v1.01) of |\fiveunithi| as a fusing ring unit 

+% is succeeded by |\fivefusehi|. 

+% The command |\fiveunithi| has been changed into a subsidiary 

+% command of |\fiveheterohi| (v2.00). 

+%

+% The macro |\fiveunithi| typesets a five-membered fragment that can be 

+% fused to another 

+% ring structure to produce a new ring system. The following 

+% numbering is adopted in this macro. 

+%

+% \begin{verbatim}

+% ************************************

+% * five-membered unit               *

+% *  (horizontal type, inverse type) *

+% ************************************

+%

+%                       2  -----  3

+%                        *       |

+% the original point 1 *         |

+%                        *       |

+%                           _____|

+%                        5        4

+% \end{verbatim}

+%

+% The macro |\fiveunithi| has three arguments |ATOMLIST|, |SUBSLIST| 

+% and |OMIT| 

+% as well as an optional argument |BONDLIST|.  

+%

+% \begin{verbatim}

+%   \fiveunithi[BONDLIST]{ATOMLIST}{SUBSLIST}{OMIT}

+% \end{verbatim}

+%

+% The |BONDLIST| argument contains one 

+% character selected from a to e, each of which indicates the presence of 

+% an inner (endcyclic) double bond on the corresponding position. 

+% The option `$n+$' ($n=1$ to $5$) represents a plus charge on a hetero atom 

+% at the $n$-position. 

+%

+% \begin{verbatim}

+%     BONDLIST: list of inner double bonds 

+%

+%           a          :  1,2-double bond

+%           b          :  2,3-double bond

+%           c          :  4,3-double bond

+%           d          :  4,5-double bond

+%           e          :  5,1-double bond

+%           A          :  aromatic circle

+%           {n+}       :  plus at the n-nitrogen atom (n = 1 to 5)

+%           {0+}       :  plus (or others) at the center

+% \end{verbatim}

+%

+% The |ATOMLIST| argument contains one or more heteroatom descriptors 

+% which are separated from each other by a semicolon.  Each heteroatom 

+% descriptor consists of a locant number and a heteroatom, 

+% where these are separated with a double equality symbol. 

+%

+% \begin{verbatim}

+%     ATOMLIST: list of heteroatoms (max 5 atoms)

+%

+%       for n = 1 to 5

+%

+%           n          : Hetero atom, e.g. N, O, etc. at n-position

+%                        e.g. 1==N for N at 1-position

+% \end{verbatim}

+%

+% The |SUBSLIST| argument contains one or more substitution descriptors 

+% which are separated from each other by a semicolon.  Each substitution 

+% descriptor has a locant number with a bond modifier and a substituent, 

+% where these are separated with a double equality symbol. 

+%

+% \begin{verbatim}

+%     SUBSLIST: list of substituents

+%

+%       for n = 1 to 5 

+%

+%           nD         :  exocyclic double bond at n-atom

+%           n or nS    :  exocyclic single bond at n-atom

+%           nA         :  alpha single bond at n-atom

+%           nB         :  beta single bond at n-atom

+%           nSA        :  alpha single bond at n-atom (boldface)

+%           nSB        :  beta single bond at n-atom (dotted line)

+%           nSa        :  alpha (not specified) single bond at n-atom

+%           nSb        :  beta (not specified) single bond at n-atom

+%

+%           nSd        :  alpha single bond at n-atom (dotted line) 

+%                           with an alternative direction to nSA 

+%           nSu        :  beta single bond at n-atom (boldface) 

+%                           with an alternative direction to nSB 

+%           nFA        :  alpha single bond at n-atom (dotted line) 

+%                           for ring fusion 

+%           nFB        :  beta single bond at n-atom (boldface) 

+%                           for ring fusion 

+%           nGA        :  alpha single bond at n-atom (dotted line) 

+%                           for the other ring fusion 

+%           nGB        :  beta single bond at n-atom (boldface) 

+%                           for the other ring fusion 

+% \end{verbatim}

+%

+% The argument |OMIT| represents one bond to be omitted. 

+% The omitted edge is regarded as a fused position. 

+%

+% \begin{verbatim}

+%     OMIT:  one bond omitted (a, b, c, d, e, or f)

+% \end{verbatim}

+%

+% Several examples are shown as follows.

+% \begin{verbatim}

+%       e.g. 

+%        

+%        \fiveunithi{1==N}{1==H;2==F}{a}

+% \end{verbatim}

+%

+% The definition of |\fiveunithi| uses a picture environment and 

+% consists of the same unit processes as shown in |\sixheteroh|: 

+% \begin{enumerate}

+% \item treatment of atom list, 

+% \item placing outer skeletons, 

+% \item placing inner double bonds, 

+% \item setting hetero atoms, and 

+% \item placing substituents by using |\setsixringh| partially. 

+% \end{enumerate}

+%

+% \begin{macro}{\fiveunithi}

+% \begin{macro}{\@fiveunithi}

+%    \begin{macrocode}

+\def\fiveunithi{\@ifnextchar[{\@fiveunithi[@}{\@fiveunithi[r]}}

+\def\@fiveunithi[#1]#2#3#4{\fiveheterohi[#1]{#2}{#3}[#4]}

+%    \end{macrocode}

+% \end{macro}

+% \end{macro}

+%

+% \begin{verbatim}

+% (Old definition)

+% % \begin{macro}{\fiveunithi}

+% % \begin{macro}{\@fiveunithi}

+% %    \begin{macrocode}

+% \def\fiveunithi{\@ifnextchar[{\@fiveunithi}{\@fiveunithi[r]}}%

+% \def\@fiveunithi[#1]#2#3#4{%

+% \iniatom\iniflag%initialize

+% %    \end{macrocode}

+% %

+% %    \begin{macrocode}

+% % %%%%%%%%%%%%%%%%%%%%%%%%%%

+% % % treatment of atom list %

+% % %%%%%%%%%%%%%%%%%%%%%%%%%%

+% %\def\aaa{}\def\bbb{}\def\ccc{}\def\ddd{}\def\eee{}\def\fff{}%

+% \@forsemicol\member:=#2\do{%

+% \expandafter\@m@mb@r\member;\relax%

+% \expandafter\twoch@r\@membera{}%

+% \ifcase\@tmpa%

+%  \or \xdef\aaa{\@memberb}%

+%  \or \xdef\bbb{\@memberb}%

+%  \or \xdef\ccc{\@memberb}%

+%  \or \xdef\eee{\@memberb}%

+%  \or \xdef\fff{\@memberb}%

+% \fi}%

+%  \begin{picture}(800,880)(-240,-400)%

+%   \iforigpt \put(-\shifti,-\shiftii){\circle*{50}}%

+%            \put(-\noshift,-\noshift){\circle{50}}% 

+%    \typeout{command `fiveunithi' origin: %

+%     (\the\noshift,\the\noshift) ---> (\the\shifti,\the\shiftii)}\fi%

+% %    \end{macrocode}

+% %

+% %    \begin{macrocode}

+% % %%%%%%%%%%%%%%%%%%

+% % % outer skeleton %

+% % %%%%%%%%%%%%%%%%%%

+% % changed OMIT to a list 1993/11/21 by Shinsaku Fujita

+% {\resetbdsw%

+% \@tfor\memBer:=#4\do{%

+% \if\memBer a\relax\gdef\@aaa{}\fi%

+% \if\memBer b\relax\gdef\@bbb{}\fi%

+% \if\memBer c\relax\gdef\@ccc{}\fi%

+% \if\memBer d\relax\gdef\@ddd{}\fi%

+% \if\memBer e\relax\gdef\@eee{}\fi%

+% %\if\memBer f\relax\gdef\@fff{}\fi%

+% }%

+% \if\@aaa a\relax\hskbonda\fi% bond between 1 and 2

+% \if\@bbb b\relax\hskbondb\fi% bond between 2 and 3

+% \if\@ccc c\relax\hskbondverti\fi% bond between 3 and 4

+% \if\@ddd d\relax\hskbonde\fi% bond between 4 and 5

+% \if\@eee e\relax\hskbondf\fi% bond between 5 and 6

+% %\if\@fff f\relax\hskbondf\fi% bond between 6 and 1

+% }%

+% % old

+% %\ifx#4a\relax\else%

+% % \hskbonda%bond between 1 and 2

+% %\fi%

+% %\ifx#4e\relax\else%

+% % \hskbondf%bond between 1 and 5

+% %\fi%

+% %\ifx#4b\relax\else%

+% %  \hskbondb%bond between 2 to 3

+% %\fi%

+% %\ifx#4d\relax\else%

+% % \hskbonde%bond between 5 and 4

+% %\fi%

+% %\ifx#4c\relax\else%

+% % \hskbondverti%bond between 4 and 3

+% %\fi%

+% %    \end{macrocode}

+% %

+% %    \begin{macrocode}

+% % %%%%%%%%%%%%%%%%%%%%%

+% % % inner double bond %

+% % %%%%%%%%%%%%%%%%%%%%%

+% \@tfor\member:=#1\do{%

+% \if\member r%

+% \else \if\member a\relax%

+%  \ifx#4a\relax\else%

+%    \hbonda%

+%  \fi%

+% \else \if\member b\relax%

+%  \ifx#4b\relax\else%

+%   \hbondb%

+%  \fi%

+% \else \if\member c\relax%

+%  \ifx#4c\relax\else%

+%    \hbondverti%

+%  \fi%

+% \else \if\member d\relax%

+%  \ifx#4d\relax\else%

+%   \hbonde%

+%  \fi%

+% \else \if\member e\relax%

+%  \ifx#4e\relax\else%

+%   \hbondf%

+%  \fi%

+% \else \if\member A%left aromatic circle 

+%   \put(173,0){\circle{180}}%                %circle

+% \else \expandafter\twoch@@r\member{}{}%     %plus or minus charges

+%       \if\@@tmpa 1\relax%

+%         \putratom{-38}{282}{\@@tmpb}%       % right type

+%       \else\if\@@tmpa 2\relax%

+%         \putratom{60}{233}{\@@tmpb}%        % right type

+%       \else\if\@@tmpa 3\relax%

+%         \putratom{60}{120}{\@@tmpb}%        % right type

+%       \else\if\@@tmpa 4\relax%

+%         \putratom{-60}{120}{\@@tmpb}%       % right type

+%       \else\if\@@tmpa 5\relax%

+%         \putratom{-60}{233}{\@@tmpb}%       % right type

+%       \else\if\@@tmpa 0\relax%

+%         \putratom{140}{-30}{\@@tmpb}%       % right type

+%       \fi\fi\fi\fi\fi\fi%

+% \fi\fi\fi\fi\fi\fi\fi}%

+% %    \end{macrocode}

+% %

+% %    \begin{macrocode}

+% % %%%%%%%%%%%%%%%%%%%%%%%

+% % % setting heteroatoms %

+% % %%%%%%%%%%%%%%%%%%%%%%%

+% \ifx\aaa\empty\else%

+%      \@acliptrue%

+%      \putlatom{60}{-36}{\aaa}%              % left type

+% \fi%

+% \ifx\bbb\empty\else%

+%      \@bcliptrue%

+%      \putlatom{135}{141}{\bbb}%             % left type

+% \fi%

+% \ifx\ccc\empty\else%

+%      \@ccliptrue%

+%      \putratom{273}{141}{\ccc}%             % right type

+% \fi%

+% \ifx\fff\empty\else%

+%      \@fcliptrue%

+%      \putlatom{135}{-211}{\fff}%            % left type

+% \fi%

+% \ifx\eee\empty\else%

+%      \@ecliptrue%

+%      \putratom{273}{-211}{\eee}%            % right type

+% \fi%

+% %    \end{macrocode}

+% %

+% %    \begin{macrocode}

+% % %%%%%%%%%%%%%%%%%%%%%%%%

+% % % setting substituents %

+% % %%%%%%%%%%%%%%%%%%%%%%%%

+% \setsixringh{#3}{0}{0}{4}{0}%  % for 1 to 3

+% \setsixringh{#3}{1}{4}{7}{0}%  % for 4 to 5

+% \end{picture}\iniatom\iniflag}%      %end of \fiveunithi macro

+% %    \end{macrocode}

+% % \end{macro}

+% \end{verbatim}

+% 

+% \section{Three-membered heterocycles}

+% \subsection{Horizontal type}

+%

+% The macro |\threeheteroh| typesets a three-membered ring.  The following 

+% numbering is adopted in this macro. 

+%

+% \begin{verbatim}

+% ****************************

+% * thereehetero derivatives *

+% *  (horizontal type)       *

+% ****************************

+

+%   aaa fff

+%    3

+%    | ` c

+%  b |    1 bbb ccc

+%    |  / a

+%    2/

+%    ddd eee

+%

+% --                                    --

+% | cf. threeehetero                      |

+% | fff 3--------2bbb                     |

+% |     `     /                           |

+% |  ddd  `1/ <===== the original point   |

+% |                                       |

+% --                                    -- 

+% \end{verbatim}

+%

+% The macro |\threeheteroh| has two arguments |ATOMLIST| and |SUBSLIST| 

+% as well as an optional argument |BONDLIST|.  

+% Two optional arguments |SKBONDLIST| and |OMIT| are added to 

+% treat stereochemical information or other bond situations. 

+%

+% \begin{verbatim}

+%   \threeheteroh(SKBONDLIST)[BONDLIST]{ATOMLIST}{SUBSLIST}[OMIT]

+% \end{verbatim}

+%

+% The |SKBONDLIST| argument contains pairs of two alphabets in 

+% parentheses, e.g. (\{bA\}\{fB\}).  Each pair contains a lowercase 

+% character selected from bond specifiers `a' to `c' and a uppercase

+% character `A' or `B'. 

+%

+% The |BONDLIST| argument contains one 

+% character selected from a to c, each of which indicates the presence of 

+% an inner (endcyclic) double bond on the corresponding position. 

+% The option `$n+$' ($n=1$ to $3$) represents a plus charge on a hetero atom 

+% at the $n$-position. 

+% The option `$n+$' ($n=4$ to $6$) represents a plus charge outside the ring. 

+% The option `$0+$' typesets a plus charge at the center of the ring. 

+%

+% \begin{verbatim}

+%     BONDLIST = 

+%

+%           none       :  saturated 

+%           a          :  1,2-double bond

+%           b          :  2,3-double bond

+%           c          :  3,1-double bond

+%           A          :  aromatic circle 

+%           {n+}       :  plus at the n-hetero atom (n = 1 to 3)

+%                      :  n=4 -- outer plus at 1 position

+%                      :  n=5 -- outer plus at 2 position

+%                      :  n=6 -- outer plus at 3 position

+%           {0+}       :  plus at the center of a cyclopropane ring

+% \end{verbatim}

+%

+% The |ATOMLIST| argument contains one or more heteroatom descriptors 

+% which are separated from each other by a semicolon.  Each heteroatom 

+% descriptor consists of a locant number and a heteroatom, 

+% where these are separated with a double equality symbol. 

+%

+% \begin{verbatim}

+%     ATOMLIST: list of heteroatoms (max 3 atoms)

+%

+%       for n = 1 to 3

+%

+%           n          : Hetero atom, e.g. N, O, etc. at n-position, 

+%                        e.g. 1==N for N at 1-position

+% \end{verbatim}

+%

+% The |SUBSLIST| argument contains one or more substitution descriptors 

+% which are separated from each other by a semicolon.  Each substitution 

+% descriptor has a locant number with a bond modifier and a substituent, 

+% where these are separated with a double equality symbol. 

+%

+% \begin{verbatim}

+%     SUBSLIST: list of substituents

+%

+%       for n = 1 to 3 

+%

+%           nD         :  exocyclic double bond at n-atom

+%           n or nS    :  exocyclic single bond at n-atom

+%           nA         :  alpha single bond at n-atom

+%           nB         :  beta single bond at n-atom

+%           nSA        :  alpha single bond at n-atom (boldface)

+%           nSB        :  beta single bond at n-atom (dotted line)

+%           nSa        :  alpha (not specified) single bond at n-atom

+%           nSb        :  beta (not specified) single bond at n-atom

+%

+%           nSd        :  alpha single bond at n-atom (dotted line) 

+%                           with an alternative direction to nSA 

+%           nSu        :  beta single bond at n-atom (boldface) 

+%                           with an alternative direction to nSB 

+%           nFA        :  alpha single bond at n-atom (dotted line) 

+%                           for ring fusion 

+%           nFB        :  beta single bond at n-atom (boldface) 

+%                           for ring fusion 

+%           nGA        :  alpha single bond at n-atom (dotted line) 

+%                           for the other ring fusion 

+%           nGB        :  beta single bond at n-atom (boldface) 

+%                           for the other ring fusion 

+% \end{verbatim}

+%

+% The argument |OMIT| represents one or more bonds to be omitted. 

+% The omitted edges may be regarded as both fused and non-fused 

+% positions. 

+%

+% \begin{verbatim}

+%     OMIT:  one or more bonds omitted (a to c; see BONDLIST)

+% \end{verbatim}

+%

+% Several examples are shown as follows.

+% \begin{verbatim}

+%       e.g. 

+%        

+%        \threeheteroh{1==N}{1==Cl;2==F}

+%        \threeheteroh[c]{1==N}{1==Cl;4==F;2==CH$_{3}$}

+%        \threeheteroh{1==N}{1D==O;4SA==MeO;4SB==OMe;5==Cl;6==Cl}

+% \end{verbatim}

+%

+% The definition of |\threeheteroh| uses a picture environment and 

+% consists of the same unit processes as shown in |\sixheterov|: 

+% \begin{enumerate}

+% \item treatment of atom list, 

+% \item placing outer skeletons, 

+% \item placing inner double bonds, 

+% \item setting hetero atoms, and 

+% \item placing substituents by using |\setsixringv| partially. 

+% \end{enumerate}

+% \changes{v1.02}{1998/10/31}{Adding \cs{ylposition}, \cs{if@ylsw},

+% \cs{yl@shifti}, \cs{@ylii}, \cs{yl@shiftii}, \cs{@ylii}, 

+% \cs{yl@xdiff} and \cs{yl@ydiff}}

+% \changes{v2.00}{1998/12/5}{Add: spiro and fused rings}

+%

+% \begin{macro}{\threeheteroh}

+% \begin{macro}{\@three@heteroh}

+% \begin{macro}{\@three@@heteroh}

+% \begin{macro}{\@threeheteroh}

+%    \begin{macrocode}

+\def\threeheteroh{\@ifnextchar({\@three@heteroh(@}{\@three@heteroh(@)}}

+\def\@three@heteroh(#1){\@ifnextchar[{\@three@@heteroh(#1)[@}%

+{\@three@@heteroh(#1)[@]}}

+\def\@three@@heteroh(#1)[#2]#3#4{\@ifnextchar[%

+{\@threeheteroh(#1)[#2]{#3}{#4}[@}%

+{\@threeheteroh(#1)[#2]{#3}{#4}[@]}}

+\def\@threeheteroh(#1)[#2]#3#4[#5]{%

+%    \end{macrocode}

+%

+% The procedure of adusting substitution positions is based on 

+% a horizontal six-membered ring, in which the positions 

+% 4 (ddd), 6 (fff), 2 (bbb) are used in place of the positions 

+% 1, 2, and 3 of the three-membered ring. 

+%

+%    \begin{macrocode}

+% %%%%%%%%%%%%%%%%%%%%%%%%%%

+% % treatment of atom list %

+% %%%%%%%%%%%%%%%%%%%%%%%%%%

+\iniatom\iniflag%initialize

+\test@vertix@sixv{#3}{d}{f}{b}{@}{@}{@}%tentative use for six-h

+% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%

+% % adustment of subs positions %

+% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%

+\@reset@ylsw%

+\ylpositionh{#4}{3}{3}{5}{0}%subst 1

+\if@ylsw \ifx\@@ylii\empty

+\def\@@ylii{235}\def\@@yli{-103}\fi

+\else

+\ylpositionh{#4}{-1}{1}{3}{0}%subst 3

+\fi

+\if@ylsw \ifx\@@ylii\empty

+\def\@@ylii{103}\def\@@yli{-29}\fi

+\else

+\ylpositionh{#4}{4}{5}{7}{0}%subst 2

+\fi

+\if@ylsw \ifx\@@ylii\empty

+\def\@@ylii{103}\def\@@yli{-171}\fi

+\fi

+\if@ylsw

+ \yl@shiftii=\@ylii

+ \yl@shifti=\@yli

+ \advance\yl@shiftii\@@ylii

+ \advance\yl@shifti\@@yli

+ \advance\yl@shiftii\yl@xdiff

+ \advance\yl@shifti\yl@ydiff

+ \begin{picture}(0,0)(-\yl@shiftii,-\yl@shifti)

+ \reset@yl@xydiff%1999/1/6 by S. Fujita

+\else

+\begin{picture}(580,700)(-200,-240)%

+  \iforigpt \put(-200,-240){\circle*{50}}%

+           \put(0,0){\circle{50}}% 

+   \typeout{command `threeheteroh' origin: %

+    (0,0) ---> (200,240)}\fi%

+\fi

+%    \end{macrocode}

+%

+% The procedures of setting skeletal and inner bonds are based on 

+% a vertical six-membered ring, where the bonds c, e, and a are 

+% used in place of the bonds a, b, and c.  Hence, 

+% (1) the bond a of the latter should be related to |\bbb| and |\ccc| at 

+% the one terminal and to |\eee| and |\ddd| at the other terminal; 

+% (2) the bond b of the latter should be related to |\eee| and |\ddd| at 

+% the one terminal and to |\aaa| and |\fff| at the other terminal; and 

+% (3) the bond c of the latter should be related to |\bbb| and |\ccc| at 

+% the one terminal and to |\aaa| and |\fff| at the other terminal. 

+%

+%    \begin{macrocode}

+% %%%%%%%%%%%%%%%%%%%%%%%%%%%%

+% % retreatment of atom list %

+% %%%%%%%%%%%%%%%%%%%%%%%%%%%%

+\iniatom\iniflag%initialize

+\test@vertix@sixv{#3}{c}{e}{a}{@}{@}{@}%

+\test@vertix@sixv{#3}{b}{d}{f}{@}{@}{@}%

+% %%%%%%%%%%%%%%%%%%

+% % outer skeleton %

+% %%%%%%%%%%%%%%%%%%

+{\resetbdsw%

+\@bond@@omit{#5}%

+\put(0,0){\set@skel@bond{#1}{a}{c}}%

+       % bond between 1 and 2 \@aaa -> \skbondc etc

+\put(171,-103){\set@skel@bond{#1}{b}{e}}%

+       % bond between 2 and 3 \@bbb -> \skbonde etc

+\put(0,-200){\set@skel@bond{#1}{c}{a}}%

+       % bond between 3 and 1 \@ccc -> \skbonda etc

+}%

+%

+% \put(0,0){\skbondc}% bond between 1 and 2

+% \put(0,-200){\skbonda}% bond between 1 and 3

+% \put(171,-103){\skbonde}%bond between 2 and 3

+%    \end{macrocode}

+%

+%    \begin{macrocode}

+% %%%%%%%%%%%%%%%%%%%%%

+% % inner double bond %

+% %%%%%%%%%%%%%%%%%%%%%

+\@tfor\member:=#2\do{%

+\if\member r\relax%

+\else\if\member a\relax\put(0,0){\bondc}%

+\else\if\member b\relax\put(171,-103){\bonde}%

+\else\if\member c\relax\put(0,-200){\bonda}%

+\else\if\member A\relax% aromatic circle 

+  \put(70,103){\circle{100}}%               %circle

+\else

+% %%%%%%%%%%%%%%%%%%%%%%%%%

+% % inner bond attachment %

+% %%%%%%%%%%%%%%%%%%%%%%%%%

+   \expandafter\twoCH@@R\member//%

+    \set@fusionadd@threeh

+\fi\fi\fi\fi\fi%

+}%

+%    \end{macrocode}

+%

+% The proceduce of setting hetero atoms on the vertices of 

+% a three-membered ring is based on the macro |\set@hetaromh@sixh|, 

+% where the positions 4, 6, and 2 of a horizontal six-membered ring 

+% are used in place of the positions 1, 2, and 3 of the three-membered ring. 

+%

+%    \begin{macrocode}

+% %%%%%%%%%%%%%%%%%%%%%%%%

+% % setting hetero atoms %

+% %%%%%%%%%%%%%%%%%%%%%%%%

+\iniflag

+%\put(-235,103){\set@hetatom@sixh{#3}{3}{3}{5}{0}%

+\put(-215,103){\set@hetatom@sixh{#3}{3}{3}{5}{0}%

+\if@clip \global\@cliptrue\fi}%subst 1 <--six h 4

+\put(-103,29){\set@hetatom@sixh{#3}{-1}{1}{3}{0}%

+\if@bclip \global\@bcliptrue\fi}%subst 3 <--six h 2

+\put(-103,171){\set@hetatom@sixh{#3}{4}{5}{7}{0}%

+\if@fclip \global\@fcliptrue\fi}%subst 2 <--six h 6

+%    \end{macrocode}

+%

+%    \begin{macrocode}

+% %%%%%%%%%%%%%%%%%%%%%%%%

+% % setting substituents %

+% %%%%%%%%%%%%%%%%%%%%%%%%

+\put(-235,103){\setsixringh{#4}{3}{3}{5}{0}}%subst 1

+\put(-103,29){\setsixringh{#4}{-1}{1}{3}{0}}%subst 3

+\put(-103,171){\setsixringh{#4}{4}{5}{7}{0}}%subst 2

+\end{picture}%

+\iniatom\iniflag}%     %end of \threeheteroh macro

+%    \end{macrocode}

+% \end{macro}

+% \end{macro}

+% \end{macro}

+% \end{macro}

+%

+% The macro |\set@fusionadd@threeh| is an inner command contained 

+% in the definition of |\threeheteroh| etc., where   

+% the macro is used for setting an additive 

+% or a fused ring at each bond (designated by |\@@tmpa|).  The 

+% fused ring is typeset by the inner command |\set@fusion@threeh|. 

+%

+% \begin{macro}{\set@fusionadd@threeh}

+% \changes{v2.00}{1998/12/5}{New command: \cs{set@fusionadd@threeh}}
+%    \begin{macrocode}

+\def\set@fusionadd@threeh{%

+      \if\@@tmpa 0\relax%

+        \putratom{35}{85}{\scriptsize\@@tmpb}%      % right type

+      \else\if\@@tmpa 1\relax%

+        \putratom{80}{85}{\scriptsize\@@tmpb}%      % right type

+      \else\if\@@tmpa 2\relax%

+        \putratom{15}{50}{\scriptsize\@@tmpb}%     % right type

+      \else\if\@@tmpa 3\relax%

+        \putratom{15}{120}{\scriptsize\@@tmpb}%    % right type

+      \else\if\@@tmpa 4\relax%

+        \putratom{180}{130}{\scriptsize\@@tmpb}%      % right type

+      \else\if\@@tmpa 5\relax%

+        \putratom{20}{-60}{\scriptsize\@@tmpb}%      % right type

+      \else\if\@@tmpa 6\relax%

+        \putratom{20}{230}{\scriptsize\@@tmpb}%    % right type

+      \else

+% %%%%%%%%%%%%%%%%%%%%%

+% % inner bond fusion %

+% %%%%%%%%%%%%%%%%%%%%%

+        \set@fusion@threeh

+      \fi\fi\fi\fi\fi\fi\fi%

+}% 

+%    \end{macrocode}

+% \end{macro}

+%

+% The inner command |\set@fusion@threeh| is used for typesetting 

+% a fused ring at each bond represented by |\@@tmpa|.  Warnings 

+% concerning mismatched ring-fusions are based on the command 

+% |\FuseWarning|. 

+%

+% \begin{macro}{\set@fusion@threeh}

+% \changes{v2.00}{1998/12/5}{New command: \cs{set@fusion@threeh}}
+%    \begin{macrocode}

+\def\set@fusion@threeh{%

+% %%%%%%%%%%%%%%%%%%%%%

+% % inner bond fusion %

+% %%%%%%%%%%%%%%%%%%%%%

+\if\@@tmpa b\relax%

+        \putlratom{0}{0}{\@@tmpb}%    % bond fused

+        \FuseWarning{0}{-200}%

+          {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{b}%

+      \else\if\@@tmpa B\relax%

+        \putlratom{0}{200}{\@@tmpb}%      % bond fused

+        \FuseWarning{0}{200}%

+          {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{B}%

+      \else\if\@@tmpa a\relax%

+        \putlratom{171}{103}{\@@tmpb}%    % bond fused

+        \FuseWarning{171}{103}%

+          {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{a}%

+      \else\if\@@tmpa A\relax%

+        \putlratom{0}{0}{\@@tmpb}%    % bond fused

+        \FuseWarning{-171}{-103}%

+          {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{A}%

+      \else\if\@@tmpa c\relax%

+        \putlratom{0}{200}{\@@tmpb}%      % bond fused

+        \FuseWarning{-171}{103}%

+          {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{c}%

+      \else\if\@@tmpa C\relax%

+        \putlratom{171}{103}{\@@tmpb}%    % bond fused

+        \FuseWarning{171}{-103}%

+          {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{C}%

+\fi\fi\fi\fi\fi\fi%

+}% end of the macro \set@fusion@threeh

+%    \end{macrocode}

+% \end{macro}

+%

+% \subsection{Inverse horizontal type}

+%

+% The macro |\threeheterohi| typesets a three-membered ring.  The following 

+% numbering is adopted in this macro. 

+%

+% \begin{verbatim}

+% *******************************

+% * thereehetero derivatives    *

+% *  (vertical horizontal type) *

+% *******************************

+%

+%          aaa bbb

+%     c    3

+%       /  |

+% eee  1   | b

+% fff   a` |

+%          2 <---original point

+%          ccc ddd

+% \end{verbatim}

+%

+% The macro |\threeheterohi| has two arguments |ATOMLIST| and |SUBSLIST| 

+% as well as an optional argument |BONDLIST|.  

+% Two optional arguments |SKBONDLIST| and |OMIT| are added to 

+% treat stereochemical information or other bond situations. 

+%

+% \begin{verbatim}

+%   \threeheterohi(SKBONDLIST)[BONDLIST]{ATOMLIST}{SUBSLIST}[OMIT]

+% \end{verbatim}

+%

+% The |SKBONDLIST| argument contains pairs of two alphabets in 

+% parentheses, e.g. (\{bA\}\{fB\}).  Each pair contains a lowercase 

+% character selected from bond specifiers `a' to `c' and a uppercase

+% character `A' or `B'. 

+%

+% The |BONDLIST| argument contains one 

+% character selected from a to c, each of which indicates the presence of 

+% an inner (endcyclic) double bond on the corresponding position. 

+% The option `$n+$' ($n=1$ to $3$) represents a plus charge on a hetero atom 

+% at the $n$-position. 

+% The option `$n+$' ($n=4$ to $6$) represents a plus charge outside the ring. 

+% The option `$0+$' typesets a plus charge at the center of the ring. 

+%

+% \begin{verbatim}

+%     BONDLIST = 

+%

+%           none       :  saturated 

+%           a          :  1,2-double bond

+%           b          :  2,3-double bond

+%           c          :  3,1-double bond

+%           A          :  aromatic circle 

+%           {n+}       :  plus at the n-hetero atom (n = 1 to 3)

+%                      :  n=4 -- outer plus at 1 position

+%                      :  n=5 -- outer plus at 2 position

+%                      :  n=6 -- outer plus at 3 position

+%           {0+}       :  plus at the center of a cyclopropane ring

+% \end{verbatim}

+%

+% The |ATOMLIST| argument contains one or more heteroatom descriptors 

+% which are separated from each other by a semicolon.  Each heteroatom 

+% descriptor consists of a locant number and a heteroatom, 

+% where these are separated with a double equality symbol. 

+%

+% \begin{verbatim}

+%     ATOMLIST: list of heteroatoms (max 3 atoms)

+%

+%       for n = 1 to 3

+%

+%           n          : Hetero atom, e.g. N, O, etc. at n-position, 

+%                        e.g. 1==N for N at 1-position

+% \end{verbatim}

+%

+% The |SUBSLIST| argument contains one or more substitution descriptors 

+% which are separated from each other by a semicolon.  Each substitution 

+% descriptor has a locant number with a bond modifier and a substituent, 

+% where these are separated with a double equality symbol. 

+%

+% \begin{verbatim}

+%     SUBSLIST: list of substituents

+%

+%       for n = 1 to 3 

+%

+%           nD         :  exocyclic double bond at n-atom

+%           n or nS    :  exocyclic single bond at n-atom

+%           nA         :  alpha single bond at n-atom

+%           nB         :  beta single bond at n-atom

+%           nSA        :  alpha single bond at n-atom (boldface)

+%           nSB        :  beta single bond at n-atom (dotted line)

+%           nSa        :  alpha (not specified) single bond at n-atom

+%           nSb        :  beta (not specified) single bond at n-atom

+%

+%           nSd        :  alpha single bond at n-atom (dotted line) 

+%                           with an alternative direction to nSA 

+%           nSu        :  beta single bond at n-atom (boldface) 

+%                           with an alternative direction to nSB 

+%           nFA        :  alpha single bond at n-atom (dotted line) 

+%                           for ring fusion 

+%           nFB        :  beta single bond at n-atom (boldface) 

+%                           for ring fusion 

+%           nGA        :  alpha single bond at n-atom (dotted line) 

+%                           for the other ring fusion 

+%           nGB        :  beta single bond at n-atom (boldface) 

+%                           for the other ring fusion 

+% \end{verbatim}

+%

+% The argument |OMIT| represents one or more bonds to be omitted. 

+% The omitted edges may be regarded as both fused and non-fused 

+% positions. 

+%

+% \begin{verbatim}

+%     OMIT:  one or more bonds omitted (a to c; see BONDLIST)

+% \end{verbatim}

+%

+% Several examples are shown as follows.

+% \begin{verbatim}

+%       e.g. 

+%        

+%        \threeheterohi{1==N}{1==Cl;2==F}

+%        \threeheterohi[c]{1==N}{1==Cl;4==F;2==CH$_{3}$}

+%        \threeheterohi{1==N}{1D==O;4SA==MeO;4SB==OMe;5==Cl;6==Cl}

+% \end{verbatim}

+%

+% \changes{v1.02}{1998/10/31}{Adding \cs{ylposition}, \cs{if@ylsw},

+% \cs{yl@shifti}, \cs{@ylii}, \cs{yl@shiftii}, \cs{@ylii}, 

+% \cs{yl@xdiff} and \cs{yl@ydiff}}

+% \changes{v2.00}{1998/12/5}{Add: spiro and fused rings}

+%

+% \begin{macro}{\threeheterohi}

+% \begin{macro}{\@three@heterohi}

+% \begin{macro}{\@three@@heterohi}

+% \begin{macro}{\@threeheterohi}

+%    \begin{macrocode}

+\def\threeheterohi{\@ifnextchar({\@three@heterohi(@}{\@three@heterohi(@)}}

+\def\@three@heterohi(#1){\@ifnextchar[{\@three@@heterohi(#1)[@}%

+{\@three@@heterohi(#1)[@]}}

+\def\@three@@heterohi(#1)[#2]#3#4{\@ifnextchar[%

+{\@threeheterohi(#1)[#2]{#3}{#4}[@}%

+{\@threeheterohi(#1)[#2]{#3}{#4}[@]}}

+\def\@threeheterohi(#1)[#2]#3#4[#5]{%

+%    \end{macrocode}

+%

+% The procedure of adusting substitution positions is based on 

+% a horizontal six-membered ring, in which the positions 

+% 1 (aaa), 5 (eee), 3 (ccc) are used in place of the positions 

+% 1, 2, and 3 of the three-membered ring. 

+%

+%    \begin{macrocode}

+% %%%%%%%%%%%%%%%%%%%%%%%%%%

+% % treatment of atom list %

+% %%%%%%%%%%%%%%%%%%%%%%%%%%

+\iniatom\iniflag%initialize

+\test@vertix@sixv{#3}{a}{e}{c}{@}{@}{@}%tentative use for six-h

+% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%

+% % adustment of subs positions %

+% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%

+\@reset@ylsw%

+\ylpositionh{#4}{0}{0}{2}{0}%subst 1

+\if@ylsw \ifx\@@ylii\empty

+\def\@@ylii{171}\def\@@yli{-103}\fi

+\else

+\ylpositionh{#4}{0}{2}{4}{0}%subst 3

+\fi

+\if@ylsw \ifx\@@ylii\empty

+\def\@@ylii{303}\def\@@yli{-29}\fi

+\else

+\ylpositionh{#4}{3}{4}{6}{0}%subst 2

+\fi

+\if@ylsw \ifx\@@ylii\empty

+\def\@@ylii{303}\def\@@yli{-171}\fi

+\fi

+\if@ylsw

+ \yl@shiftii=\@ylii

+ \yl@shifti=\@yli

+ \advance\yl@shiftii\@@ylii

+ \advance\yl@shifti\@@yli

+ \advance\yl@shiftii\yl@xdiff

+ \advance\yl@shifti\yl@ydiff

+ \begin{picture}(0,0)(-\yl@shiftii,-\yl@shifti)

+ \reset@yl@xydiff%1999/1/6 by S. Fujita

+\else

+\begin{picture}(580,700)(-400,-240)%

+  \iforigpt \put(-400,-240){\circle*{50}}%

+           \put(0,0){\circle{50}}% 

+   \typeout{command `threeheterohi' origin: %

+    (0,0) ---> (400,240)}\fi%

+\fi

+%    \end{macrocode}

+%

+% The procedures of setting skeletal and inner bonds are based on 

+% a vertical six-membered ring, where the bonds d, b, and f are 

+% used in place of the bonds a, b, and c.  

+%

+%    \begin{macrocode}

+% %%%%%%%%%%%%%%%%%%%%%%%%%%%%

+% % retreatment of atom list %

+% %%%%%%%%%%%%%%%%%%%%%%%%%%%%

+\iniatom\iniflag%initialize

+\test@vertix@sixv{#3}{e}{c}{a}{@}{@}{@}%

+\test@vertix@sixv{#3}{f}{d}{b}{@}{@}{@}%

+% %%%%%%%%%%%%%%%%%%

+% % outer skeleton %

+% %%%%%%%%%%%%%%%%%%

+{\resetbdsw%

+\@bond@@omit{#5}%

+\put(0,0){\set@skel@bond{#1}{a}{d}}%

+       % bond between 1 and 2 \@aaa -> \skbondd etc

+\put(-171,-103){\set@skel@bond{#1}{b}{b}}%

+       % bond between 2 and 3 \@bbb -> \skbondb etc

+\put(0,-200){\set@skel@bond{#1}{c}{f}}%

+       % bond between 3 and 1 \@ccc -> \skbondf etc

+}%

+%    \end{macrocode}

+%

+%    \begin{macrocode}

+% %%%%%%%%%%%%%%%%%%%%%

+% % inner double bond %

+% %%%%%%%%%%%%%%%%%%%%%

+\@tfor\member:=#2\do{%

+\if\member r\relax%

+\else\if\member a\relax\put(0,0){\bondd}%

+\else\if\member b\relax\put(-171,-103){\bondb}%

+\else\if\member c\relax\put(0,-200){\bondf}%

+\else\if\member A\relax% aromatic circle 

+  \put(70,103){\circle{100}}%               %circle

+\else

+% %%%%%%%%%%%%%%%%%%%%%%%%%

+% % inner bond attachment %

+% %%%%%%%%%%%%%%%%%%%%%%%%%

+   \expandafter\twoCH@@R\member//%

+    \set@fusionadd@threehi

+\fi\fi\fi\fi\fi%

+}%

+%    \end{macrocode}

+%

+% The proceduce of setting hetero atoms on the vertices of 

+% a three-membered ring is based on the macro |\set@hetaromh@sixh|, 

+% where the positions 1, 5, and 3 of a horizontal six-membered ring 

+% are used in place of the positions 1, 2, and 3 of the three-membered ring. 

+%

+%    \begin{macrocode}

+% %%%%%%%%%%%%%%%%%%%%%%%%

+% % setting hetero atoms %

+% %%%%%%%%%%%%%%%%%%%%%%%%

+\iniflag

+\put(-171,103){\set@hetatom@sixh{#3}{0}{0}{2}{0}%

+\if@aclip \global\@acliptrue\fi}%subst 1 <--six h 1

+\put(-303,29){\set@hetatom@sixh{#3}{0}{2}{4}{0}%

+\if@cclip \global\@ccliptrue\fi}%subst 3 <--six h 3

+\put(-303,171){\set@hetatom@sixh{#3}{3}{4}{6}{0}%

+\if@eclip \global\@ecliptrue\fi}%subst 2 <--six h 5

+%    \end{macrocode}

+%

+%    \begin{macrocode}

+% %%%%%%%%%%%%%%%%%%%%%%%%

+% % setting substituents %

+% %%%%%%%%%%%%%%%%%%%%%%%%

+\put(-171,103){\setsixringh{#4}{0}{0}{2}{0}}%subst 1

+\put(-303,29){\setsixringh{#4}{0}{2}{4}{0}}%subst 3

+\put(-303,171){\setsixringh{#4}{3}{4}{6}{0}}%subst 2

+\end{picture}%

+\iniatom\iniflag}%     %end of \threeheterohi macro

+%    \end{macrocode}

+% \end{macro}

+% \end{macro}

+% \end{macro}

+% \end{macro}

+%

+% The macro |\set@fusionadd@threehi| is an inner command contained 

+% in the definition of |\threeheterohi| etc., where   

+% the macro is used for setting an additive 

+% or a fused ring at each bond (designated by |\@@tmpa|).  The 

+% fused ring is typeset by the inner command |\set@fusion@threehi|. 

+%

+% \begin{macro}{\set@fusionadd@threeh}

+% \changes{v2.00}{1998/12/5}{New command: \cs{set@fusionadd@threehi}}
+%    \begin{macrocode}

+\def\set@fusionadd@threehi{%

+      \if\@@tmpa 0\relax%

+        \putlatom{-35}{85}{\scriptsize\@@tmpb}%      % left type

+      \else\if\@@tmpa 1\relax%

+        \putlatom{-80}{85}{\scriptsize\@@tmpb}%      % left type

+      \else\if\@@tmpa 2\relax%

+        \putlatom{-15}{50}{\scriptsize\@@tmpb}%     % left type

+      \else\if\@@tmpa 3\relax%

+        \putlatom{-15}{120}{\scriptsize\@@tmpb}%    % left type

+      \else\if\@@tmpa 4\relax%

+        \putlatom{-180}{130}{\scriptsize\@@tmpb}%      % left type

+      \else\if\@@tmpa 5\relax%

+        \putlatom{-20}{-60}{\scriptsize\@@tmpb}%      % left type

+      \else\if\@@tmpa 6\relax%

+        \putlatom{-20}{230}{\scriptsize\@@tmpb}%    % left type

+      \else

+% %%%%%%%%%%%%%%%%%%%%%

+% % inner bond fusion %

+% %%%%%%%%%%%%%%%%%%%%%

+        \set@fusion@threehi

+      \fi\fi\fi\fi\fi\fi\fi%

+}% 

+%    \end{macrocode}

+% \end{macro}

+%

+% The inner command |\set@fusion@threehi| is used for typesetting 

+% a fused ring at each bond represented by |\@@tmpa|.  Warnings 

+% concerning mismatched ring-fusions are based on the command 

+% |\FuseWarning|. 

+%

+% \begin{macro}{\set@fusion@threehi}

+% \changes{v2.00}{1998/12/5}{New command: \cs{set@fusion@threehi}}
+%    \begin{macrocode}

+\def\set@fusion@threehi{%

+% %%%%%%%%%%%%%%%%%%%%%

+% % inner bond fusion %

+% %%%%%%%%%%%%%%%%%%%%%

+\if\@@tmpa b\relax%

+        \putlratom{0}{0}{\@@tmpb}%    % bond fused

+        \FuseWarning{0}{-200}%

+          {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{b}%

+      \else\if\@@tmpa B\relax%

+        \putlratom{0}{200}{\@@tmpb}%      % bond fused

+        \FuseWarning{0}{200}%

+          {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{B}%

+      \else\if\@@tmpa a\relax%

+        \putlratom{-171}{103}{\@@tmpb}%    % bond fused

+        \FuseWarning{-171}{103}%

+          {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{a}%

+      \else\if\@@tmpa A\relax%

+        \putlratom{0}{0}{\@@tmpb}%    % bond fused

+        \FuseWarning{171}{-103}%

+          {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{A}%

+      \else\if\@@tmpa c\relax%

+        \putlratom{0}{200}{\@@tmpb}%      % bond fused

+        \FuseWarning{171}{103}%

+          {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{c}%

+      \else\if\@@tmpa C\relax%

+        \putlratom{-171}{103}{\@@tmpb}%    % bond fused

+        \FuseWarning{-171}{-103}%

+          {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{C}%

+\fi\fi\fi\fi\fi\fi%

+}% end of the macro \set@fusion@threehi

+%</hetaromh>

+%    \end{macrocode}

+% \end{macro}

+%

+% \Finale

+%

+\endinput

+
\ No newline at end of file
diff --git a/Master/texmf-dist/source/latex/xymtex/hetaromh.ins b/Master/texmf-dist/source/latex/xymtex/hetaromh.ins
new file mode 100644
index 00000000000..c3e9cb59d1b
--- /dev/null
+++ b/Master/texmf-dist/source/latex/xymtex/hetaromh.ins
@@ -0,0 +1,51 @@
+\def\batchfile{hetaromh.ins}

+\input docstrip.tex

+\preamble

+

+This is a generated file.

+

+Copyright 1996,1998,2000 by Shinsaku Fujita

+

+This file is part of the XyMTeX system.

+=======================================

+

+Version 1.01 Released on August 16, 1996 

+Version 1.02 Released on October 31, 1996 (private version)

+Version 2.00 Released on December 25, 1998

+Version 2.00a Released on November 11, 2000

+

+Copyright (C) 1996, 1998, 2000 by Shinsaku Fujita, all rights reserved.

+This style file is created for drawing chemical structural formulas 

+This style file is to be contained in the ``xymtex'' directory which 

+is an input directory for TeX. 

+

+Copying of this file is authorized only if either

+

+ (1) you make absolutely no changes to your copy, including name and 

+     directory name 

+ (2) if you do make changes, 

+     (a) you name it something other than the names included in the 

+         ``xymtex'' directory and 

+     (b) you acknowledge the original name. 

+ This restriction ensures that all standard styles are identical.

+

+=======================================

+

+This file contains several codes modified from latex.tex (LaTeX2.09) 

+and from latex.ltx (a LaTeX2e), the reused parts of which are subject to 

+Copyright 1994 the LaTeX3 project and the individual authors (For further 

+copyright information see the file legal.txt of the LaTeX2e standard 

+distribution, and any other copyright indicated in this file.)

+

+\endpreamble

+

+\keepsilent

+

+\generateFile{hetaromh.drv}{t}{%

+  \from{hetaromh.dtx}{driver}}

+

+\generateFile{hetaromh.sty}{t}{%

+  \from{hetaromh.dtx}{hetaromh}}

+

+\endinput

+
\ No newline at end of file
diff --git a/Master/texmf-dist/source/latex/xymtex/locant.drv b/Master/texmf-dist/source/latex/xymtex/locant.drv
new file mode 100644
index 00000000000..b64fb464d38
--- /dev/null
+++ b/Master/texmf-dist/source/latex/xymtex/locant.drv
@@ -0,0 +1,78 @@
+%%
+%% This is file `locant.drv',
+%% generated with the docstrip utility.
+%%
+%% The original source files were:
+%%
+%% locant.dtx  (with options: `driver')
+%% 
+%% This is a generated file.
+%% 
+%% Copyright 1996 by Shinsaku Fujita
+%% 
+%% This file is part of the XyMTeX system.
+%% =======================================
+%% 
+%% Released on August 16, 1996
+%% 
+%% Copyright (C) 1996 by Shinsaku Fujita, all rights reserved.
+%% This style file is created for drawing chemical structural formulas
+%% This style file is to be contained in the ``xymtex'' directory which
+%% is an input directory for TeX.
+%% 
+%% Copying of this file is authorized only if either
+%% 
+%%  (1) you make absolutely no changes to your copy, including name and
+%%      directory name
+%%  (2) if you do make changes,
+%%      (a) you name it something other than the names included in the
+%%          ``xymtex'' directory and
+%%      (b) you acknowledge the original name.
+%%  This restriction ensures that all standard styles are identical.
+%% 
+%% =======================================
+%% 
+%% This file contains several codes modified from latex.tex (LaTeX2.09)
+%% and from latex.ltx (a LaTeX2e), the reused parts of which are subject to
+%% Copyright 1994 the LaTeX3 project and the individual authors (For further
+%% copyright information see the file legal.txt of the LaTeX2e standard
+%% distribution, and any other copyright indicated in this file.)
+%% 
+%% File: locant.dtx
+%% \CharacterTable
+%%  {Upper-case    \A\B\C\D\E\F\G\H\I\J\K\L\M\N\O\P\Q\R\S\T\U\V\W\X\Y\Z
+%%   Lower-case    \a\b\c\d\e\f\g\h\i\j\k\l\m\n\o\p\q\r\s\t\u\v\w\x\y\z
+%%   Digits        \0\1\2\3\4\5\6\7\8\9
+%%   Exclamation   \!     Double quote  \"     Hash (number) \#
+%%   Dollar        \$     Percent       \%     Ampersand     \&
+%%   Acute accent  \'     Left paren    \(     Right paren   \)
+%%   Asterisk      \*     Plus          \+     Comma         \,
+%%   Minus         \-     Point         \.     Solidus       \/
+%%   Colon         \:     Semicolon     \;     Less than     \<
+%%   Equals        \=     Greater than  \>     Question mark \?
+%%   Commercial at \@     Left bracket  \[     Backslash     \\
+%%   Right bracket \]     Circumflex    \^     Underscore    \_
+%%   Grave accent  \`     Left brace    \{     Vertical bar  \|
+%%   Right brace   \}     Tilde         \~}
+\NeedsTeXFormat{pLaTeX2e}
+\ProvidesFile{locant.dtx}[1996/08/16 v1.01 XyMTeX{} package file]
+\documentclass{ltxdoc}
+\GetFileInfo{locant.dtx}
+\def\UPSILON{\char'7}
+\def\XyM{X\kern-.30em\smash{%
+\raise.50ex\hbox{\UPSILON}}\kern-.30em{M}}
+\def\XyMTeX{\XyM\kern-.1em\TeX}
+\title{Setting locant numbers by {\sffamily locant.sty}
+(\fileversion) of \XyMTeX{}}
+\author{Shinsaku Fujita \\
+Ashigara Research Laboratories,
+Fuji Photo Film Co., Ltd., \\
+Minami-Ashigara, Kanagawa, 250-01 Japan}
+\date{\filedate}
+\begin{document}
+   \maketitle
+   \DocInput{locant.dtx}
+\end{document}
+\endinput
+%%
+%% End of file `locant.drv'.
diff --git a/Master/texmf-dist/source/latex/xymtex/locant.dtx b/Master/texmf-dist/source/latex/xymtex/locant.dtx
new file mode 100644
index 00000000000..1b9170f7d94
--- /dev/null
+++ b/Master/texmf-dist/source/latex/xymtex/locant.dtx
@@ -0,0 +1,240 @@
+% \iffalse meta-comment
+%% File: locant.dtx
+%
+%  Copyright 1993,1996 by Shinsaku Fujita
+%
+%  This file is part of XyMTeX system.
+%  -------------------------------------
+%
+% This file is a successor to:
+%
+% locant.sty
+% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
+% \typeout{XyMTeX for Drawing Chemical Structural Formulas. Version 1.00}
+% \typeout{       -- Released December 1, 1993 by Shinsaku Fujita}
+% Copyright (C) 1993 by Shinsaku Fujita, all rights reserved.
+%
+% This file is a part of the macro package ``XyMTeX'' which has been 
+% designed for typesetting chemical structural formulas.
+%
+% This file is to be contained in the ``xymtex'' directory which is 
+% an input directory for TeX. It is a LaTeX optional style file and 
+% should be used only within LaTeX, because several macros of the file 
+% are based on LaTeX commands. 
+%
+% For the review of XyMTeX, see
+%  (1)  Shinsaku Fujita, ``Typesetting structural formulas with the text
+%    formatter TeX/LaTeX'', Computers and Chemistry, in press.    
+% The following book deals with an application of TeX/LaTeX to 
+% preparation of manuscripts of chemical fields:
+%  (2)  Shinsaku Fujita, ``LaTeX for Chemists and Biochemists'' 
+%    Tokyo Kagaku Dozin, Tokyo (1993) [in Japanese].  
+%
+% Copying of this file is authorized only if either
+%  (1) you make absolutely no changes to your copy, including name and 
+%     directory name; or
+%  (2) if you do make changes, 
+%     (a) you name it something other than the names included in the 
+%         ``xymtex'' directory and 
+%     (b) you are requested to leave this notice intact.
+% This restriction ensures that all standard styles are identical.
+%
+% Please report any bugs, comments, suggestions, etc. to:
+%   Shinsaku Fujita, 
+%   Ashigara Research Laboratories, Fuji Photo Film Co., Ltd., 
+%   Minami-Ashigara, Kanagawa-ken, 250-01, Japan.
+% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
+%\def\j@urnalname{locant}
+%\def\versi@ndate{December 01, 1993}
+%\def\versi@nno{ver1.00}
+%\def\copyrighth@lder{SF} % Shinsaku Fujita
+% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
+%
+% \fi
+%
+% \CheckSum{88}
+%% \CharacterTable
+%%  {Upper-case    \A\B\C\D\E\F\G\H\I\J\K\L\M\N\O\P\Q\R\S\T\U\V\W\X\Y\Z
+%%   Lower-case    \a\b\c\d\e\f\g\h\i\j\k\l\m\n\o\p\q\r\s\t\u\v\w\x\y\z
+%%   Digits        \0\1\2\3\4\5\6\7\8\9
+%%   Exclamation   \!     Double quote  \"     Hash (number) \#
+%%   Dollar        \$     Percent       \%     Ampersand     \&
+%%   Acute accent  \'     Left paren    \(     Right paren   \)
+%%   Asterisk      \*     Plus          \+     Comma         \,
+%%   Minus         \-     Point         \.     Solidus       \/
+%%   Colon         \:     Semicolon     \;     Less than     \<
+%%   Equals        \=     Greater than  \>     Question mark \?
+%%   Commercial at \@     Left bracket  \[     Backslash     \\
+%%   Right bracket \]     Circumflex    \^     Underscore    \_
+%%   Grave accent  \`     Left brace    \{     Vertical bar  \|
+%%   Right brace   \}     Tilde         \~}
+%
+% \setcounter{StandardModuleDepth}{1}
+%
+% \StopEventually{}
+% \MakeShortVerb{\|}
+%
+% \iffalse
+% \changes{v1.01}{1996/06/26}{first edition for LaTeX2e}
+% \fi
+%
+% \iffalse
+%<*driver>
+\NeedsTeXFormat{pLaTeX2e}
+% \fi
+\ProvidesFile{locant.dtx}[1996/08/16 v1.01 XyMTeX{} package file]
+% \iffalse
+\documentclass{ltxdoc}
+\GetFileInfo{locant.dtx}
+%
+% %%XyMTeX Logo: Definition 2%%%
+\def\UPSILON{\char'7}
+\def\XyM{X\kern-.30em\smash{%
+\raise.50ex\hbox{\UPSILON}}\kern-.30em{M}}
+\def\XyMTeX{\XyM\kern-.1em\TeX}
+% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
+\title{Setting locant numbers by {\sffamily locant.sty} 
+(\fileversion) of \XyMTeX{}}
+\author{Shinsaku Fujita \\ 
+Ashigara Research Laboratories, 
+Fuji Photo Film Co., Ltd., \\ 
+Minami-Ashigara, Kanagawa, 250-01 Japan}
+\date{\filedate}
+%
+\begin{document}
+   \maketitle
+   \DocInput{locant.dtx}
+\end{document}
+%</driver>
+% \fi
+%
+% \section{Introduction}\label{locant:intro}
+%
+% \subsection{Options for {\sffamily docstrip}}
+%
+% \DeleteShortVerb{\|}
+% \begin{center}
+% \begin{tabular}{|l|l|}
+% \hline
+% \emph{option} & \emph{function}\\ \hline
+% locant & locant.sty \\
+% driver & driver for this dtx file \\
+% \hline
+% \end{tabular}
+% \end{center}
+% \MakeShortVerb{\|}
+%
+% \subsection{Version Information}
+%
+%    \begin{macrocode}
+%<*locant>
+\typeout{XyMTeX for Drawing Chemical Structural Formulas. Version 1.01}
+\typeout{       -- Released August 16, 1996 by Shinsaku Fujita}
+% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
+\def\j@urnalname{locant}
+\def\versi@ndate{August 16, 1996}
+\def\versi@nno{ver1.01}
+\def\copyrighth@lder{SF} % Shinsaku Fujita
+% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
+\typeout{XyMTeX Macro File `\j@urnalname' (\versi@nno) <\versi@ndate>%
+\space[\copyrighth@lder]}
+%    \end{macrocode}
+%
+% \section{Macros for designating locant numbers}
+% \subsection{Bond indicators for vertical formulas}
+%
+% \begin{macro}{\dbloocant}
+% \begin{macro}{\dblocant}
+% The macro |\dbloocant| is used to designate six edges (inner double bonds) 
+% of a six-membered ring.  Any character can be asigned to the respective 
+% bond.  
+% The macro |\dblocant| provides a fixed set of aliphabetical charactors 
+% on the six edges. 
+%    \begin{macrocode}
+\def\bdloocant#1#2#3#4#5#6{%
+\begin{picture}(800,880)(-\shiftii,-\shifti)
+\putratom{90}{360}{#1}%
+\putratom{200}{180}{#2}%
+\putratom{90}{-20}{#3}%
+\putlatom{-90}{360}{#6}%
+\putlatom{-200}{180}{#5}%
+\putlatom{-90}{-20}{#4}%
+\end{picture}}%
+\def\bdlocant{\bdloocant{a}{b}{c}{d}{e}{f}}
+%    \end{macrocode}
+% \end{macro}
+% \end{macro}
+%
+% \begin{macro}{\sxloocant}
+% \begin{macro}{\sxlocant}
+% The macro |\sxloocant| is used to designate six vertices  
+% of a six-membered ring.  Any character can be asigned to the respective 
+% bond.  
+% The macro |\sxlocant| provides a fixed set of arabic numerals 
+% on the six edges. 
+%    \begin{macrocode}
+\def\sxloocant#1#2#3#4#5#6{%
+\begin{picture}(800,880)(-\shiftii,-\shifti)%
+\putratom{-10}{340}{\scriptsize #1}%
+\putlatom{150}{260}{\scriptsize #2}%
+\putlatom{150}{110}{\scriptsize #3}%
+\putratom{-10}{40}{\scriptsize #4}%
+\putratom{-150}{110}{\scriptsize #5}%
+\putratom{-150}{260}{\scriptsize #6}%
+\end{picture}}%
+\def\sxlocant{\sxloocant{1}{2}{3}{4}{5}{6}}
+%    \end{macrocode}
+% \end{macro}
+% \end{macro}
+%
+% \subsection{Bond indicators for vertical formulas}
+%
+% \begin{macro}{\dbloocanth}
+% \begin{macro}{\dblocanth}
+% The macro |\dbloocanth| is used to designate six edges (inner double bonds) 
+% of a horizontal six-membered ring.  
+% Any character can be asigned to the respective bond.  
+% The macro |\dblocanth| provides a fixed set of aliphabetical charactors 
+% on the six edges. 
+%    \begin{macrocode}
+\def\bdloocnth#1#2#3#4#5#6{%
+\begin{picture}(880,800)(-\shifti,-\shiftii)%
+\putlatom{10}{80}{#1}%
+\putratom{180}{210}{#2}%
+\putratom{380}{80}{#3}%
+\putratom{380}{-120}{#4}%
+\putratom{180}{-260}{#5}%
+\putlatom{10}{-120}{#6}%
+\end{picture}}%
+\def\bdlocnth{\bdloocnth{a}{b}{c}{d}{e}{f}}
+%    \end{macrocode}
+% \end{macro}
+% \end{macro}
+%
+% \begin{macro}{\sxloocanth}
+% \begin{macro}{\sxlocanth}
+% The macro |\sxloocanth| is used to designate six vertices  
+% of a horizontal six-membered ring.  
+% Any character can be asigned to the respective bond.  
+% The macro |\sxlocanth| provides a fixed set of arabic numerals 
+% on the six edges. 
+%    \begin{macrocode}
+\def\sxloocnth#1#2#3#4#5#6{%
+\begin{picture}(880,800)(-\shifti,-\shiftii)%
+\putratom{40}{-20}{\scriptsize #1}%
+\putratom{110}{100}{\scriptsize #2}%
+\putlatom{290}{100}{\scriptsize #3}%
+\putlatom{380}{-20}{\scriptsize #4}%
+\putratom{110}{-140}{\scriptsize #6}%
+\putlatom{290}{-140}{\scriptsize #5}%
+\end{picture}}%
+\def\sxlocnth{\sxloocnth{1}{2}{3}{4}{5}{6}}
+%</locant>
+%    \end{macrocode}
+% \end{macro}
+% \end{macro}
+%
+% \Finale
+%
+\endinput
+
\ No newline at end of file
diff --git a/Master/texmf-dist/source/latex/xymtex/locant.ins b/Master/texmf-dist/source/latex/xymtex/locant.ins
new file mode 100644
index 00000000000..789de1ea609
--- /dev/null
+++ b/Master/texmf-dist/source/latex/xymtex/locant.ins
@@ -0,0 +1,48 @@
+\def\batchfile{locant.ins}

+\input docstrip.tex

+\preamble

+

+This is a generated file.

+

+Copyright 1996 by Shinsaku Fujita

+

+This file is part of the XyMTeX system.

+=======================================

+

+Released on August 16, 1996 

+

+Copyright (C) 1996 by Shinsaku Fujita, all rights reserved.

+This style file is created for drawing chemical structural formulas 

+This style file is to be contained in the ``xymtex'' directory which 

+is an input directory for TeX. 

+

+Copying of this file is authorized only if either

+

+ (1) you make absolutely no changes to your copy, including name and 

+     directory name 

+ (2) if you do make changes, 

+     (a) you name it something other than the names included in the 

+         ``xymtex'' directory and 

+     (b) you acknowledge the original name. 

+ This restriction ensures that all standard styles are identical.

+

+=======================================

+

+This file contains several codes modified from latex.tex (LaTeX2.09) 

+and from latex.ltx (a LaTeX2e), the reused parts of which are subject to 

+Copyright 1994 the LaTeX3 project and the individual authors (For further 

+copyright information see the file legal.txt of the LaTeX2e standard 

+distribution, and any other copyright indicated in this file.)

+

+\endpreamble

+

+\keepsilent

+

+\generateFile{locant.drv}{t}{%

+  \from{locant.dtx}{driver}}

+

+\generateFile{locant.sty}{t}{%

+  \from{locant.dtx}{locant}}

+

+\endinput

+
\ No newline at end of file
diff --git a/Master/texmf-dist/source/latex/xymtex/lowcycle.drv b/Master/texmf-dist/source/latex/xymtex/lowcycle.drv
new file mode 100644
index 00000000000..6a3c5f5fa1d
--- /dev/null
+++ b/Master/texmf-dist/source/latex/xymtex/lowcycle.drv
@@ -0,0 +1,81 @@
+%%
+%% This is file `lowcycle.drv',
+%% generated with the docstrip utility.
+%%
+%% The original source files were:
+%%
+%% lowcycle.dtx  (with options: `driver')
+%% 
+%% This is a generated file.
+%% 
+%% Copyright 1996,1998 by Shinsaku Fujita
+%% 
+%% This file is part of the XyMTeX system.
+%% =======================================
+%% 
+%% Version 1.01 Released on August 16, 1996
+%% Version 1.02 Released on October 31, 1996 (private version)
+%% Version 2.00 Released on December 25, 1998
+%% 
+%% Copyright (C) 1996, 1998 by Shinsaku Fujita, all rights reserved.
+%% This style file is created for drawing chemical structural formulas
+%% This style file is to be contained in the ``xymtex'' directory which
+%% is an input directory for TeX.
+%% 
+%% Copying of this file is authorized only if either
+%% 
+%%  (1) you make absolutely no changes to your copy, including name and
+%%      directory name
+%%  (2) if you do make changes,
+%%      (a) you name it something other than the names included in the
+%%          ``xymtex'' directory and
+%%      (b) you acknowledge the original name.
+%%  This restriction ensures that all standard styles are identical.
+%% 
+%% =======================================
+%% 
+%% This file contains several codes modified from latex.tex (LaTeX2.09)
+%% and from latex.ltx (a LaTeX2e), the reused parts of which are subject to
+%% Copyright 1994 the LaTeX3 project and the individual authors (For further
+%% copyright information see the file legal.txt of the LaTeX2e standard
+%% distribution, and any other copyright indicated in this file.)
+%% 
+%% File: lowcycle.dtx
+%% \CharacterTable
+%%  {Upper-case    \A\B\C\D\E\F\G\H\I\J\K\L\M\N\O\P\Q\R\S\T\U\V\W\X\Y\Z
+%%   Lower-case    \a\b\c\d\e\f\g\h\i\j\k\l\m\n\o\p\q\r\s\t\u\v\w\x\y\z
+%%   Digits        \0\1\2\3\4\5\6\7\8\9
+%%   Exclamation   \!     Double quote  \"     Hash (number) \#
+%%   Dollar        \$     Percent       \%     Ampersand     \&
+%%   Acute accent  \'     Left paren    \(     Right paren   \)
+%%   Asterisk      \*     Plus          \+     Comma         \,
+%%   Minus         \-     Point         \.     Solidus       \/
+%%   Colon         \:     Semicolon     \;     Less than     \<
+%%   Equals        \=     Greater than  \>     Question mark \?
+%%   Commercial at \@     Left bracket  \[     Backslash     \\
+%%   Right bracket \]     Circumflex    \^     Underscore    \_
+%%   Grave accent  \`     Left brace    \{     Vertical bar  \|
+%%   Right brace   \}     Tilde         \~}
+\NeedsTeXFormat{pLaTeX2e}
+\ProvidesFile{lowcycle.dtx}[1998/12/25 v2.00 XyMTeX{} package file]
+\documentclass{ltxdoc}
+\GetFileInfo{lowcycle.dtx}
+\def\UPSILON{\char'7}
+\def\XyM{X\kern-.30em\smash{%
+\raise.50ex\hbox{\UPSILON}}\kern-.30em{M}}
+\def\XyMTeX{\XyM\kern-.1em\TeX}
+\title{Lower carbocyclic compounds by {\sffamily lowcycle.sty}
+(\fileversion) of \XyMTeX{}}
+\author{Shinsaku Fujita \\
+Department of Chemistry and Materials Technology, \\
+Kyoto Institute of Technology, \\
+Matsugasaki, Sakyoku, Kyoto, 606 Japan
+}
+\date{\filedate}
+\begin{document}
+   \maketitle
+   \DocInput{lowcycle.dtx}
+\end{document}
+\endinput
+%%
+%% End of file `lowcycle.drv'.
diff --git a/Master/texmf-dist/source/latex/xymtex/lowcycle.dtx b/Master/texmf-dist/source/latex/xymtex/lowcycle.dtx
new file mode 100644
index 00000000000..11d142a18d1
--- /dev/null
+++ b/Master/texmf-dist/source/latex/xymtex/lowcycle.dtx
@@ -0,0 +1,854 @@
+% \iffalse meta-comment
+%% File: lowcycle.dtx
+%
+%  Copyright 1993,1996,1998 by Shinsaku Fujita
+%
+%  This file is part of XyMTeX system.
+%  -------------------------------------
+%
+% This file is a successor to:
+%
+% lowcycle.sty
+% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
+% \typeout{XyMTeX for Drawing Chemical Structural Formulas. Version 1.00}
+% \typeout{       -- Released December 1, 1993 by Shinsaku Fujita}
+% Copyright (C) 1993 by Shinsaku Fujita, all rights reserved.
+%
+% This file is a part of the macro package ``XyMTeX'' which has been 
+% designed for typesetting chemical structural formulas.
+%
+% This file is to be contained in the ``xymtex'' directory which is 
+% an input directory for TeX. It is a LaTeX optional style file and 
+% should be used only within LaTeX, because several macros of the file 
+% are based on LaTeX commands. 
+%
+% For the review of XyMTeX, see
+%  (1)  Shinsaku Fujita, ``Typesetting structural formulas with the text
+%    formatter TeX/LaTeX'', Computers and Chemistry, in press.    
+% The following book deals with an application of TeX/LaTeX to 
+% preparation of manuscripts of chemical fields:
+%  (2)  Shinsaku Fujita, ``LaTeX for Chemists and Biochemists'' 
+%    Tokyo Kagaku Dozin, Tokyo (1993) [in Japanese].  
+%
+% Copying of this file is authorized only if either
+%  (1) you make absolutely no changes to your copy, including name and 
+%     directory name; or
+%  (2) if you do make changes, 
+%     (a) you name it something other than the names included in the 
+%         ``xymtex'' directory and 
+%     (b) you are requested to leave this notice intact.
+% This restriction ensures that all standard styles are identical.
+%
+% Please report any bugs, comments, suggestions, etc. to:
+%   Shinsaku Fujita, 
+%   Ashigara Research Laboratories, Fuji Photo Film Co., Ltd., 
+%   Minami-Ashigara, Kanagawa-ken, 250-01, Japan.
+%
+% New address:
+%   Shinsaku Fujita, 
+%   Department of Chemistry and Materials Technology, 
+%   Kyoto Institute of Technology, \\
+%   Matsugasaki, Sakyoku, Kyoto, 606 Japan
+% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
+% \def\j@urnalname{lowcycle}
+% \def\versi@ndate{December 01, 1993}
+% \def\versi@nno{ver1.00}
+% \def\copyrighth@lder{SF} % Shinsaku Fujita
+% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
+% \def\j@urnalname{lowcycle}
+% \def\versi@ndate{August 16, 1996}
+% \def\versi@nno{ver1.01}
+% \def\copyrighth@lder{SF} % Shinsaku Fujita
+% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
+% \def\j@urnalname{lowcycle}
+% \def\versi@ndate{October 31, 1998}
+% \def\versi@nno{ver1.02}
+% \def\copyrighth@lder{SF} % Shinsaku Fujita
+% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
+%
+% \fi
+%
+% \CheckSum{175}
+%% \CharacterTable
+%%  {Upper-case    \A\B\C\D\E\F\G\H\I\J\K\L\M\N\O\P\Q\R\S\T\U\V\W\X\Y\Z
+%%   Lower-case    \a\b\c\d\e\f\g\h\i\j\k\l\m\n\o\p\q\r\s\t\u\v\w\x\y\z
+%%   Digits        \0\1\2\3\4\5\6\7\8\9
+%%   Exclamation   \!     Double quote  \"     Hash (number) \#
+%%   Dollar        \$     Percent       \%     Ampersand     \&
+%%   Acute accent  \'     Left paren    \(     Right paren   \)
+%%   Asterisk      \*     Plus          \+     Comma         \,
+%%   Minus         \-     Point         \.     Solidus       \/
+%%   Colon         \:     Semicolon     \;     Less than     \<
+%%   Equals        \=     Greater than  \>     Question mark \?
+%%   Commercial at \@     Left bracket  \[     Backslash     \\
+%%   Right bracket \]     Circumflex    \^     Underscore    \_
+%%   Grave accent  \`     Left brace    \{     Vertical bar  \|
+%%   Right brace   \}     Tilde         \~}
+%
+% \setcounter{StandardModuleDepth}{1}
+%
+% \StopEventually{}
+% \MakeShortVerb{\|}
+%
+% \iffalse
+% \changes{v1.01}{1996/06/26}{first edition for LaTeX2e}
+% \changes{v1.02}{1998/10/31}{revised edition for LaTeX2e}
+% \changes{v2.00}{1998/12/25}{enhanced edition for LaTeX2e}
+% \fi
+%
+% \iffalse
+%<*driver>
+\NeedsTeXFormat{pLaTeX2e}
+% \fi
+\ProvidesFile{lowcycle.dtx}[1998/12/25 v2.00 XyMTeX{} package file]
+% \iffalse
+\documentclass{ltxdoc}
+\GetFileInfo{lowcycle.dtx}
+%
+% %%XyMTeX Logo: Definition 2%%%
+\def\UPSILON{\char'7}
+\def\XyM{X\kern-.30em\smash{%
+\raise.50ex\hbox{\UPSILON}}\kern-.30em{M}}
+\def\XyMTeX{\XyM\kern-.1em\TeX}
+% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
+\title{Lower carbocyclic compounds by {\sffamily lowcycle.sty} 
+(\fileversion) of \XyMTeX{}}
+\author{Shinsaku Fujita \\ 
+Department of Chemistry and Materials Technology, \\
+Kyoto Institute of Technology, \\
+Matsugasaki, Sakyoku, Kyoto, 606 Japan
+% % (old address)
+% % Ashigara Research Laboratories, 
+% % Fuji Photo Film Co., Ltd., \\ 
+% % Minami-Ashigara, Kanagawa, 250-01 Japan
+}
+\date{\filedate}
+%
+\begin{document}
+   \maketitle
+   \DocInput{lowcycle.dtx}
+\end{document}
+%</driver>
+% \fi
+%
+% \section{Introduction}\label{lowcycle:intro}
+%
+% \subsection{Options for {\sffamily docstrip}}
+%
+% \DeleteShortVerb{\|}
+% \begin{center}
+% \begin{tabular}{|l|l|}
+% \hline
+% \emph{option} & \emph{function}\\ \hline
+% lowcycle & lowcycle.sty \\
+% driver & driver for this dtx file \\
+% \hline
+% \end{tabular}
+% \end{center}
+% \MakeShortVerb{\|}
+%
+% \subsection{Version Information}
+%
+%    \begin{macrocode}
+%<*lowcycle>
+\typeout{XyMTeX for Drawing Chemical Structural Formulas. Version 2.00}
+\typeout{       -- Released December 25, 1998 by Shinsaku Fujita}
+% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
+\def\j@urnalname{lowcycle}
+\def\versi@ndate{December 25, 1998}
+\def\versi@nno{ver2.00}
+\def\copyrighth@lder{SF} % Shinsaku Fujita
+% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
+\typeout{XyMTeX Macro File `\j@urnalname' (\versi@nno) <\versi@ndate>%
+\space[\copyrighth@lder]}
+%    \end{macrocode}
+%
+% \section{List of commands for lowcycle.sty}
+%
+% \begin{verbatim}
+% **********************************
+% * lowcycle.sty: list of commands * 
+% **********************************
+%
+%     \cyclopentanev                      \@cyclopentanev
+%     \cyclopentanevi                     \@cyclopentanevi
+%     \cyclopentaneh                      \@cyclopentaneh
+%     \cyclopentanehi                     \@cyclopentanehi
+%
+%     \cyclobutane                        \@cyclobutane
+%
+%     \cyclopropane                       \@cyclopropane
+%     \cyclopropanei                      \@cyclopropanei
+%     \cyclopropaneh                      \@cyclopropaneh
+%     \cyclopropanehi                     \@cyclopropanehi
+%
+%     \indanev                            \@indanev
+%     \indanevi                           \@indanevi
+%     \indaneh                            \@indaneh
+%     \indanehi                           \@indanehi
+% \end{verbatim}
+%
+% \section{Input of basic macros}
+%
+% To assure the compatibility to \LaTeX{}2.09 (the native mode), 
+% the commands added by \LaTeXe{} have not been used in the resulting sty 
+% files ({\sf lowcycle.sty} for the present case).  Hence, the combination 
+% of |\input| and |\@ifundefined| is used to crossload sty 
+% files ({\sf chemstr.sty} etc. for the present case) in place of the 
+% |\RequirePackage| command of \LaTeXe{}. 
+%
+%    \begin{macrocode}
+% *************************
+% * input of basic macros *
+% *************************
+\@ifundefined{setsixringv}{\input chemstr.sty\relax}{}
+\@ifundefined{threehetero}{\input hetarom.sty\relax}{}
+\@ifundefined{sixheteroh}{\input hetaromh.sty\relax}{}
+\unitlength=0.1pt
+%    \end{macrocode}
+%
+% \section{Cyclopentane derivatives}
+% \subsection{Vertical type}
+%
+% The macros |\cyclopentanev| and |\cyclopentanevi| have an 
+% argument |SUBSLIST| as well as an optional argument |BONDLIST|.  
+% The macro |\cyclopentanev| draws a five-membered ring with a 
+% flat top bond, while the macro |\cyclopentanevi| draws an 
+% inverse ring with a flat bottom bond. 
+% \begin{verbatim}
+% ******************************
+% *  cyclopentane derivatives  *
+% *  (vertical type & inverse) *
+% ******************************
+%
+%   \cyclopentanev[BONDLIST]{SUBSLIST}
+%   \cyclopentanevi[BONDLIST]{SUBSLIST}
+% \end{verbatim}
+%
+% The |BONDLIST| argument contains one or more 
+% characters selected from a to e, each of which indicates the presence of 
+% an inner (endcyclic) double bond on the corresponding position. The 
+% option `$n+$' ($n=1$--$5$) is used for designating a plus charge on 
+% the $n$-carbon. 
+% The option `$0+$'is used for designating a plus charge at the center 
+% of the five-membered ring. 
+% \begin{verbatim}
+%     BONDLIST: list of inner double bonds 
+%
+%           none       :  mother nucleus (fully saturated form)
+%           a          :  1,2-double bond
+%           b          :  2,3-double bond
+%           c          :  4,3-double bond
+%           d          :  4,5-double bond
+%           e          :  5,1-double bond
+%           {n+}       :  plus at the n-carbon atom (n = 1 to 5)
+%           {0+}       :  plus at the center
+% \end{verbatim}
+%
+% The |SUBSLIST| argument contains one or more substitution descriptors 
+% which are separated from each other by a semicolon.  Each substitution 
+% descriptor has a locant number with a bond modifier and a substituent, 
+% where these are separated with a double equality symbol. 
+% \begin{verbatim}
+%
+%     SUBSLIST: list of substituents
+%
+%       for n = 1 to 5 
+%
+%           nD         :  exocyclic double bond at n-atom
+%           n or nS    :  exocyclic single bond at n-atom
+%           nA         :  alpha single bond at n-atom
+%           nB         :  beta single bond at n-atom
+%           nSA        :  alpha single bond at n-atom (boldface)
+%           nSB        :  beta single bond at n-atom (dotted line)
+%           nSa        :  alpha (not specified) single bond at n-atom
+%           nSb        :  beta (not specified) single bond at n-atom
+% \end{verbatim}
+%
+% Several examples are shown as follows.
+% \begin{verbatim}
+%       e.g. 
+%        
+%        \cyclopentanev{1==H;2==F}
+%        \cyclopentanev[]{1==H;2==F}
+%        \cyclopentanev[H]{1==H;2==F}
+% \end{verbatim}
+%
+% \begin{macro}{\cyclopentanev}
+% \begin{macro}{\cyclopentanevi}
+%    \begin{macrocode}
+\def\cyclopentanev{\@ifnextchar[{\@cyclopentanev[@}{\@cyclopentanev[]}}
+\def\@cyclopentanev[#1]#2{%
+\iforigpt \typeout{command `cyclopentanev' %
+                  is based on `fiveheterov'.}\fi%
+\fiveheterov[#1]{}{#2}}
+%    \end{macrocode}
+%
+%    \begin{macrocode}
+\def\cyclopentanevi{\@ifnextchar[{\@cyclopentanevi[@}{\@cyclopentanevi[]}}
+\def\@cyclopentanevi[#1]#2{%
+\iforigpt \typeout{command `cyclopentanevi' %
+                   is based on `fiveheterovi'.}\fi%
+\fiveheterovi[#1]{}{#2}}
+%    \end{macrocode}
+% \end{macro}
+% \end{macro}
+%
+% \subsection{Horizontal type}
+%
+% The macros |\cyclopentaneh| and |\cyclopentanehi| have an 
+% argument |SUBSLIST| as well as an optional argument |BONDLIST|.  
+% The macro |\cyclopentaneh| draws a five-membered ring with a 
+% vertical left bond, while the macro |\cyclopentanehi| draws an 
+% inverse ring with a vertical right bond. 
+% \begin{verbatim}
+% ********************************
+% *  cyclopentane derivatives    *
+% *  (horizontal type & inverse) *
+% ********************************
+%
+%   \cyclopentaneh[BONDLIST]{SUBSLIST}
+%   \cyclopentanehi[BONDLIST]{SUBSLIST}
+% \end{verbatim}
+%
+% The |BONDLIST| argument contains one or more 
+% characters selected from a to e, each of which indicates the presence of 
+% an inner (endcyclic) double bond on the corresponding position. The 
+% option `$n+$' ($n=1$--$5$) is used for designating a plus charge on 
+% the $n$-carbon. 
+% The option `$0+$'is used for designating a plus charge at the center 
+% of the five-membered ring. 
+% \begin{verbatim}
+%  
+%     BONDLIST: list of inner double bonds 
+%
+%           none       :  mother nucleus (fully saturated form)
+%           a          :  1,2-double bond
+%           b          :  2,3-double bond
+%           c          :  4,3-double bond
+%           d          :  4,5-double bond
+%           e          :  5,1-double bond
+%           {n+}       :  plus at the n-carbon atom (n = 1 to 5)
+%           {0+}       :  plus at the center
+% \end{verbatim}
+%
+% The |SUBSLIST| argument contains one or more substitution descriptors 
+% which are separated from each other by a semicolon.  Each substitution 
+% descriptor has a locant number with a bond modifier and a substituent, 
+% where these are separated with a double equality symbol. 
+% \begin{verbatim}
+%
+%     SUBSLIST: list of substituents
+%
+%       for n = 1 to 5 
+%
+%           nD         :  exocyclic double bond at n-atom
+%           n or nS    :  exocyclic single bond at n-atom
+%           nA         :  alpha single bond at n-atom
+%           nB         :  beta single bond at n-atom
+%           nSA        :  alpha single bond at n-atom (boldface)
+%           nSB        :  beta single bond at n-atom (dotted line)
+%           nSa        :  alpha (not specified) single bond at n-atom
+%           nSb        :  beta (not specified) single bond at n-atom
+% \end{verbatim}
+%
+% Several examples are shown as follows.
+% \begin{verbatim}
+%
+%       e.g. 
+%        
+%        \cyclopentaneh{1==H;2==F}
+%        \cyclopentanehi[]{1==H;2==F}
+%        \cyclopentanehi[H]{1==H;2==F}
+%
+% \end{verbatim}
+%
+% \begin{macro}{\cyclopentaneh}
+% \begin{macro}{\cyclopentanehi}
+%    \begin{macrocode}
+\def\cyclopentaneh{\@ifnextchar[{\@cyclopentaneh[@}{\@cyclopentaneh[]}}
+\def\@cyclopentaneh[#1]#2{%
+\iforigpt \typeout{command `cyclophentaneh' %
+                   is based on `fiveheteroh'.}\fi%
+\fiveheteroh[#1]{}{#2}}
+%    \end{macrocode}
+%
+%    \begin{macrocode}
+\def\cyclopentanehi{%
+  \@ifnextchar[{\@cyclopentanehi[@}{\@cyclopentanehi[]}}
+\def\@cyclopentanehi[#1]#2{%
+\iforigpt \typeout{command `cyclopentanehi' %
+                   is based on `fiveheterohi'.}\fi%
+\fiveheterohi[#1]{}{#2}}
+%    \end{macrocode}
+% \end{macro}
+% \end{macro}
+%
+% \section{Indan derivatives}
+% \subsection{Vertical type}
+%
+% The macros |\indanev| and |\indanevi| have an 
+% argument |SUBSLIST| as well as an optional argument |BONDLIST|.  
+% The macro |\indanev| draws a five-membered ring with a 
+% flat top bond, while the macro |\indanevi| draws an 
+% inverse ring with a flat bottom bond. 
+% \begin{verbatim}
+% ***********************************************************
+% * indane derivatives (fused six- and five-membered rings) *
+% *  (vertical type & inverse)                              *
+% ***********************************************************
+%
+%   \indanev[BONDLIST]{SUBSLIST}
+%   \indanevi[BONDLIST]{SUBSLIST}
+% \end{verbatim}
+%
+% The |BONDLIST| argument contains one or more 
+% characters selected from a to j, each of which indicates the presence of 
+% an inner (endcyclic) double bond on the corresponding position. 
+% The option `A' typesets a six-membered ring with an aromatic circle. 
+% The option `$n+$' ($n=1$--$7$) is used for designating a plus charge on 
+% the $n$-carbon. 
+% \begin{verbatim}
+%
+%     BONDLIST:  list of bonds 
+%
+%           none or r  :  aromatic six-membered ring
+%           H or []    :  fully saturated form
+%           a    :  1,2-double bond      b    :  2,3-double bond
+%           c    :  3,3a-double bond     d    :  4,3a-double bond
+%           e    :  4,5-double bond      f    :  5,6-double bond
+%           g    :  6,7-double bond      h    :  7,7a-double bond
+%           i    :  1,7a-double bond     j    :  3a,4a-double bond
+%           A    :  aromatic circle
+%           {n+}       :  plus at the n-nitrogen atom (n = 1 to 7)
+% \end{verbatim}
+%
+% The |SUBSLIST| argument contains one or more substitution descriptors 
+% which are separated from each other by a semicolon.  Each substitution 
+% descriptor has a locant number with a bond modifier and a substituent, 
+% where these are separated with a double equality symbol. 
+% \begin{verbatim}
+%
+%     SUBSLIST: list of substituents (max 7 substitution positions)
+%
+%       for n = 1 to 8
+%
+%           nD         :  exocyclic double bond at n-atom
+%           n or nS    :  exocyclic single bond at n-atom
+%           nA         :  alpha single bond at n-atom
+%           nB         :  beta single bond at n-atom
+%           nSA        :  alpha single bond at n-atom (boldface)
+%           nSB        :  beta single bond at n-atom (dotted line)
+%           nSa        :  alpha (not specified) single bond at n-atom
+%           nSb        :  beta (not specified) single bond at n-atom
+%
+%       for 8 (3a position) and 9 (7a position)
+%
+%           nD         :  exocyclic double bond at n-atom
+%           n or nS    :  exocyclic single bond at n-atom
+%           nA         :  alpha single bond at n-atom
+%           nB         :  beta single bond at n-atom
+% \end{verbatim}
+%
+% Several examples are shown as follows.
+% \begin{verbatim}
+%
+%       e.g. 
+%        
+%        \indanev{1==Cl;2==F}
+%        \indanev[c]{1==Cl;4==F;2==CH$_{3}$}
+%        \indanev[eb]{1D==O;4SA==MeO;4SB==OMe;5==Cl;6==Cl}
+%
+% \end{verbatim}
+%
+% \begin{macro}{\indanev}
+% \begin{macro}{\indanevi}
+%    \begin{macrocode}
+\def\indanev{\@ifnextchar[{\@indanev[@}{\@indanev[rb]}}
+\def\@indanev[#1]#2{%
+\iforigpt \typeout{command `indanev' %
+               is based on `nonaheterov'.}\fi%
+\nonaheterov[#1]{}{#2}}
+%    \end{macrocode}
+%
+%    \begin{macrocode}
+\def\indanevi{\@ifnextchar[{\@indanevi[@}{\@indanevi[rb]}}
+\def\@indanevi[#1]#2{%
+\iforigpt \typeout{command `indanevi' %
+              is based on `nonaheterovi'.}\fi%
+\nonaheterovi[#1]{}{#2}}
+%    \end{macrocode}
+% \end{macro}
+% \end{macro}
+%
+% \subsection{Horizontal type}
+%
+% The macros |\indaneh| and |\indanehi| have an 
+% argument |SUBSLIST| as well as an optional argument |BONDLIST|.  
+% The macro |\indaneh| draws a five-membered ring with a 
+% vertical left bond, while the macro |\indanehi| draws an 
+% inverse ring with a vertical right bond. 
+% \begin{verbatim}
+% ***********************************************************
+% * indane derivatives (fused six- and five-membered rings) *
+% *  (horizontal type & inverse)                            *
+% ***********************************************************
+%
+%   \indaneh[BONDLIST]{SUBSLIST}
+%   \indanehi[BONDLIST]{SUBSLIST}
+% \end{verbatim}
+%
+% The |BONDLIST| argument contains one or more 
+% characters selected from a to j, each of which indicates the presence of 
+% an inner (endcyclic) double bond on the corresponding position. 
+% The option `A' typesets a six-membered ring with an aromatic circle. 
+% The option `$n+$' ($n=1$--$7$) is used for designating a plus charge on 
+% the $n$-carbon. 
+% \begin{verbatim}
+%
+%     BONDLIST:  list of bonds 
+%
+%           none or r  :  aromatic six-membered ring
+%           H or []    :  fully saturated form
+%           a    :  1,2-double bond      b    :  2,3-double bond
+%           c    :  3,3a-double bond     d    :  4,3a-double bond
+%           e    :  4,5-double bond      f    :  5,6-double bond
+%           g    :  6,7-double bond      h    :  7,7a-double bond
+%           i    :  1,7a-double bond     j    :  3a,4a-double bond
+%           A    :  aromatic circle
+%           {n+}       :  plus at the n-nitrogen atom (n = 1 to 7)
+% \end{verbatim}
+%
+% The |SUBSLIST| argument contains one or more substitution descriptors 
+% which are separated from each other by a semicolon.  Each substitution 
+% descriptor has a locant number with a bond modifier and a substituent, 
+% where these are separated with a double equality symbol. 
+% \begin{verbatim}
+%
+%     SUBSLIST: list of substituents
+%
+%       for n = 1 to 8
+%
+%           nD         :  exocyclic double bond at n-atom
+%           n or nS    :  exocyclic single bond at n-atom
+%           nA         :  alpha single bond at n-atom
+%           nB         :  beta single bond at n-atom
+%           nSA        :  alpha single bond at n-atom (boldface)
+%           nSB        :  beta single bond at n-atom (dotted line)
+%           nSa        :  alpha (not specified) single bond at n-atom
+%           nSb        :  beta (not specified) single bond at n-atom
+%
+%       for 8 (3a position) and 9 (7a position)
+%
+%           nD         :  exocyclic double bond at n-atom
+%           n or nS    :  exocyclic single bond at n-atom
+%           nA         :  alpha single bond at n-atom
+%           nB         :  beta single bond at n-atom
+% \end{verbatim}
+%
+% Several examples are shown as follows.
+% \begin{verbatim}
+%       e.g. 
+%        
+%        \indaneh{1==Cl;2==F}
+%        \indaneh[c]{1==Cl;4==F;2==CH$_{3}$}
+%        \indaneh[eb]{1D==O;4SA==MeO;4SB==OMe;5==Cl;6==Cl}
+% \end{verbatim}
+%
+% \begin{macro}{\indaneh}
+% \begin{macro}{\indanehi}
+%    \begin{macrocode}
+\def\indaneh{\@ifnextchar[{\@indaneh[@}{\@indaneh[rb]}}
+\def\@indaneh[#1]#2{%
+\iforigpt \typeout{command `indaneh' %
+        is based on `nonaheteroh'.}\fi%
+\nonaheteroh[#1]{}{#2}}
+\def\indanehi{\@ifnextchar[{\@indanehi[@}{\@indanehi[rb]}}
+\def\@indanehi[#1]#2{%
+\iforigpt \typeout{command `indanehi' %
+        is based on `nonaheterohi'.}\fi%
+\nonaheterohi[#1]{}{#2}}
+%    \end{macrocode}
+% \end{macro}
+% \end{macro}
+%
+%
+% \section{Cyclobutane derivatives}
+%
+% The macros |\cyclobutane| has an 
+% argument |SUBSLIST| as well as an optional argument |BONDLIST|.  
+% This macro is based on the \verb/\fourhetero/ command for drawing 
+% four-membered heterocycles. 
+% \begin{verbatim}
+% ***************************
+% * cyclobutane derivatives *
+% ***************************
+% The following numbering is adopted in this macro. 
+%
+%          c
+%     4  _____  3
+%    d  |     |  b
+%       |     |
+%     1  -----  2<===== the original point
+%          a
+%
+%   \cyclobutane[BONDLIST]{SUBSLIST}
+% \end{verbatim}
+%
+% The |BONDLIST| argument contains one or more 
+% characters selected from a to e, each of which indicates the presence of 
+% an inner (endcyclic) double bond on the corresponding position. 
+% The option `$n+$' ($n=1$--$4$) is used for designating a plus charge on 
+% the $n$-carbon. 
+% \begin{verbatim}
+%  
+%     BONDLIST: list of inner double bonds 
+%
+%           a          :  1,2-double bond
+%           b          :  2,3-double bond
+%           c          :  4,3-double bond
+%           e          :  4,1-double bond
+%
+%           {n+}       :  plus at the n-nitrogen atom (n = 1 to 4)
+% \end{verbatim}
+%
+% The |SUBSLIST| argument contains one or more substitution descriptors 
+% which are separated from each other by a semicolon.  Each substitution 
+% descriptor has a locant number with a bond modifier and a substituent, 
+% where these are separated with a double equality symbol. 
+% \begin{verbatim}
+%
+%     SUBSLIST: list of substituents (max 5 substitution positions)
+%
+%       for n = 1 to 4 
+%
+%           nD         :  exocyclic double bond at n-atom
+%           n or nS    :  exocyclic single bond at n-atom
+%           nA         :  alpha single bond at n-atom
+%           nB         :  beta single bond at n-atom
+%           nSA        :  alpha single bond at n-atom (boldface)
+%           nSB        :  beta single bond at n-atom (dotted line)
+%           nSa        :  alpha (not specified) single bond at n-atom
+%           nSb        :  beta (not specified) single bond at n-atom
+% \end{verbatim}
+%
+% Several examples are shown as follows.
+% \begin{verbatim}
+%       e.g. 
+%        
+%        \cyclobutane{1==H;2==F}
+%        \cyclobutane[c]{1==Cl;4==F;2==CH$_{3}$}
+%        \cyclobutane[eb]{1D==O;4SA==MeO;4SB==OMe}
+% \end{verbatim}
+%
+% \begin{macro}{\cyclobutane}
+%    \begin{macrocode}
+\def\cyclobutane{\@ifnextchar[{\@cyclobutane[@}{\@cyclobutane[]}}
+\def\@cyclobutane[#1]#2{%
+\iforigpt \typeout{command `cyclobutane' %
+      is based on `fourhetero'.}\fi%
+\fourhetero[#1]{}{#2}}
+%    \end{macrocode}
+% \end{macro}
+%
+% \section{Cyclopropane derivatives}
+%
+% The macros |\cyclopropane| has an 
+% argument |SUBSLIST| as well as an optional argument |BONDLIST|.  
+% This macro is based on the \verb/\threehetero/ command for drawing 
+% three-membered heterocycles. 
+% \begin{verbatim}
+% ****************************
+% * cyclopropane derivatives *
+% *  (vertical type)         *
+% ****************************
+% The following numbering is adopted in this macro. 
+%
+%         b
+%     3--------2
+%    c `     / a
+%        `1/ <===== the original point
+%
+%
+%   \cyclopropane[BONDLIST]{SUBSLIST}
+% \end{verbatim}
+%
+% The |BONDLIST| argument contains one or more 
+% characters selected from a to c, each of which indicates the presence of 
+% an inner (endcyclic) double bond on the corresponding position. 
+% The option `A' is used for designating an aromatic character with a 
+% circle. 
+% The option `$n+$' ($n=1$--$3$) is used for designating a plus charge on 
+% the $n$-carbon, while 
+% the case $n=4$--$6$) indicates a plus charge outside the ring. 
+% The option `0+' draws a plus symbol at the center of the ring. 
+% \begin{verbatim}
+%  
+%     BONDLIST = 
+%
+%           none       :  saturated 
+%           a          :  1,2-double bond
+%           b          :  2,3-double bond
+%           c          :  3,1-double bond
+%           A          :  aromatic circle 
+%           {n+}       :  plus at the n-hetero atom (n = 1 to 3)
+%                      :  n=4 -- outer plus at 1 position
+%                      :  n=5 -- outer plus at 2 position
+%                      :  n=6 -- outer plus at 3 position
+%           {0+}       :  plus at the center of a cyclopropane ring
+% \end{verbatim}
+%
+% The |SUBSLIST| argument contains one or more substitution descriptors 
+% which are separated from each other by a semicolon.  Each substitution 
+% descriptor has a locant number with a bond modifier and a substituent, 
+% where these are separated with a double equality symbol. 
+% \begin{verbatim}
+%
+%     SUBSLIST: list of substituents (max 3 substitution positions)
+%
+%       for n = 1 to 3 
+%
+%           nD         :  exocyclic double bond at n-atom
+%           n or nS    :  exocyclic single bond at n-atom
+%           nA         :  alpha single bond at n-atom
+%           nB         :  beta single bond at n-atom
+%           nSA        :  alpha single bond at n-atom (boldface)
+%           nSB        :  beta single bond at n-atom (dotted line)
+%           nSa        :  alpha (not specified) single bond at n-atom
+%           nSb        :  beta (not specified) single bond at n-atom
+% \end{verbatim}
+%
+% Several examples are shown as follows.
+% \begin{verbatim}
+%
+%       e.g. 
+%        
+%        \cyclopropane{1==N}{1==Cl;2==F}
+%
+% \end{verbatim}
+%
+% \begin{macro}{\cyclopropane}
+% \begin{macro}{\cyclopropanev}
+%    \begin{macrocode}
+\def\cyclopropane{\@ifnextchar[{\@cyclopropane[@}{\@cyclopropane[]}}
+\def\@cyclopropane[#1]#2{%
+\iforigpt \typeout{command `cyclopropane' %
+      is based on `threehetero'.}\fi%
+\threehetero[#1]{}{#2}}
+\let\cyclopropanev=\cyclopropane
+%    \end{macrocode}
+% \end{macro}
+% \end{macro}
+%
+% The macros |\cyclopropanei| has an 
+% argument |SUBSLIST| as well as an optional argument |BONDLIST|.  
+% This macro is based on the \verb/\threehetero/ command for drawing 
+% three-membered heterocycles. 
+% \begin{verbatim}
+% ****************************
+% * cyclopropane derivatives *
+% *  (inverse vertical type) *
+% ****************************
+% The following numbering is adopted in this macro. 
+%
+%        /1` <===== the original point
+%    c /    ` a
+%     3--------2
+%         b
+%
+%   \cyclopropanei[BONDLIST]{SUBSLIST}
+% \end{verbatim}
+%
+% The |BONDLIST| argument contains one or more 
+% characters selected from a to c, each of which indicates the presence of 
+% an inner (endcyclic) double bond on the corresponding position. 
+% The option `A' is used for designating an aromatic character with a 
+% circle. 
+% The option `$n+$' ($n=1$--$3$) is used for designating a plus charge on 
+% the $n$-carbon, while 
+% the case $n=4$--$6$) indicates a plus charge outside the ring. 
+% The option `0+' draws a plus symbol at the center of the ring. 
+% \begin{verbatim}
+%  
+%     BONDLIST = 
+%
+%           none       :  saturated 
+%           a          :  1,2-double bond
+%           b          :  2,3-double bond
+%           c          :  3,1-double bond
+%           A          :  aromatic circle 
+%           {n+}       :  plus at the n-hetero atom (n = 1 to 3)
+%                      :  n=4 -- outer plus at 1 position
+%                      :  n=5 -- outer plus at 2 position
+%                      :  n=6 -- outer plus at 3 position
+%           {0+}       :  plus at the center of a cyclopropane ring
+% \end{verbatim}
+%
+% The |SUBSLIST| argument contains one or more substitution descriptors 
+% which are separated from each other by a semicolon.  Each substitution 
+% descriptor has a locant number with a bond modifier and a substituent, 
+% where these are separated with a double equality symbol. 
+% \begin{verbatim}
+%
+%     SUBSLIST: list of substituents (max 3 substitution positions)
+%
+%       for n = 1 to 3 
+%
+%           nD         :  exocyclic double bond at n-atom
+%           n or nS    :  exocyclic single bond at n-atom
+%           nA         :  alpha single bond at n-atom
+%           nB         :  beta single bond at n-atom
+%           nSA        :  alpha single bond at n-atom (boldface)
+%           nSB        :  beta single bond at n-atom (dotted line)
+%           nSa        :  alpha (not specified) single bond at n-atom
+%           nSb        :  beta (not specified) single bond at n-atom
+% \end{verbatim}
+%
+% Several examples are shown as follows.
+% \begin{verbatim}
+%
+%       e.g. 
+%        
+%        \cyclopropanei{1==N}{1==Cl;2==F}
+%
+% \end{verbatim}
+%   \changes{v1.02}{1998/10/20}{Newly added command}
+%
+% \begin{macro}{\cyclopropanei}
+% \begin{macro}{\cyclopropenevi}
+%    \begin{macrocode}
+\def\cyclopropanei{\@ifnextchar[{\@cyclopropanei[@}{\@cyclopropanei[]}}
+\def\@cyclopropanei[#1]#2{%
+\iforigpt \typeout{command `cyclopropanei' %
+      is based on `threeheteroi'.}\fi%
+\threeheteroi[#1]{}{#2}}
+\let\cyclopropanevi=\cyclopropanei
+%    \end{macrocode}
+% \end{macro}
+% \end{macro}
+%
+% \begin{macro}{\cyclopropaneh}
+%    \begin{macrocode}
+\def\cyclopropaneh{\@ifnextchar[{\@cyclopropaneh[@}{\@cyclopropaneh[]}}
+\def\@cyclopropaneh[#1]#2{%
+\iforigpt \typeout{command `cyclopropaneh' %
+      is based on `threeheteroh'.}\fi%
+\threeheteroh[#1]{}{#2}}
+%    \end{macrocode}
+% \end{macro}
+%
+% \begin{macro}{\cyclopropanehi}
+%    \begin{macrocode}
+\def\cyclopropanehi{\@ifnextchar[{\@cyclopropanehi[@}{\@cyclopropanehi[]}}
+\def\@cyclopropanehi[#1]#2{%
+\iforigpt \typeout{command `cyclopropanehi' %
+      is based on `threeheterohi'.}\fi%
+\threeheterohi[#1]{}{#2}}
+%</lowcycle>
+%    \end{macrocode}
+% \end{macro}
+%
+% \Finale
+%
+\endinput
+
\ No newline at end of file
diff --git a/Master/texmf-dist/source/latex/xymtex/lowcycle.ins b/Master/texmf-dist/source/latex/xymtex/lowcycle.ins
new file mode 100644
index 00000000000..eb4ac5abb4c
--- /dev/null
+++ b/Master/texmf-dist/source/latex/xymtex/lowcycle.ins
@@ -0,0 +1,50 @@
+\def\batchfile{lowcycle.ins}

+\input docstrip.tex

+\preamble

+

+This is a generated file.

+

+Copyright 1996,1998 by Shinsaku Fujita

+

+This file is part of the XyMTeX system.

+=======================================

+

+Version 1.01 Released on August 16, 1996 

+Version 1.02 Released on October 31, 1996 (private version)

+Version 2.00 Released on December 25, 1998

+

+Copyright (C) 1996, 1998 by Shinsaku Fujita, all rights reserved.

+This style file is created for drawing chemical structural formulas 

+This style file is to be contained in the ``xymtex'' directory which 

+is an input directory for TeX. 

+

+Copying of this file is authorized only if either

+

+ (1) you make absolutely no changes to your copy, including name and 

+     directory name 

+ (2) if you do make changes, 

+     (a) you name it something other than the names included in the 

+         ``xymtex'' directory and 

+     (b) you acknowledge the original name. 

+ This restriction ensures that all standard styles are identical.

+

+=======================================

+

+This file contains several codes modified from latex.tex (LaTeX2.09) 

+and from latex.ltx (a LaTeX2e), the reused parts of which are subject to 

+Copyright 1994 the LaTeX3 project and the individual authors (For further 

+copyright information see the file legal.txt of the LaTeX2e standard 

+distribution, and any other copyright indicated in this file.)

+

+\endpreamble

+

+\keepsilent

+

+\generateFile{lowcycle.drv}{t}{%

+  \from{lowcycle.dtx}{driver}}

+

+\generateFile{lowcycle.sty}{t}{%

+  \from{lowcycle.dtx}{lowcycle}}

+

+\endinput

+
\ No newline at end of file
diff --git a/Master/texmf-dist/source/latex/xymtex/methylen.drv b/Master/texmf-dist/source/latex/xymtex/methylen.drv
new file mode 100644
index 00000000000..036f42c10d7
--- /dev/null
+++ b/Master/texmf-dist/source/latex/xymtex/methylen.drv
@@ -0,0 +1,80 @@
+%%
+%% This is file `methylen.drv',
+%% generated with the docstrip utility.
+%%
+%% The original source files were:
+%%
+%% methylen.dtx  (with options: `driver')
+%% 
+%% This is a generated file.
+%% 
+%% Copyright 1998 by Shinsaku Fujita
+%% 
+%% This file is part of the XyMTeX system.
+%% =======================================
+%% 
+%% Version 1.02 Released on October 31, 1996 (private version)
+%% Version 2.00 Released on December 25, 1998
+%% 
+%% Copyright (C) 1998 by Shinsaku Fujita, all rights reserved.
+%% This style file is created for drawing chemical structural formulas
+%% This style file is to be contained in the ``xymtex'' directory which
+%% is an input directory for TeX.
+%% 
+%% Copying of this file is authorized only if either
+%% 
+%%  (1) you make absolutely no changes to your copy, including name and
+%%      directory name
+%%  (2) if you do make changes,
+%%      (a) you name it something other than the names included in the
+%%          ``xymtex'' directory and
+%%      (b) you acknowledge the original name.
+%%  This restriction ensures that all standard styles are identical.
+%% 
+%% =======================================
+%% 
+%% This file contains several codes modified from latex.tex (LaTeX2.09)
+%% and from latex.ltx (a LaTeX2e), the reused parts of which are subject to
+%% Copyright 1994 the LaTeX3 project and the individual authors (For further
+%% copyright information see the file legal.txt of the LaTeX2e standard
+%% distribution, and any other copyright indicated in this file.)
+%% 
+%% File: methylen.dtx
+%% \CharacterTable
+%%  {Upper-case    \A\B\C\D\E\F\G\H\I\J\K\L\M\N\O\P\Q\R\S\T\U\V\W\X\Y\Z
+%%   Lower-case    \a\b\c\d\e\f\g\h\i\j\k\l\m\n\o\p\q\r\s\t\u\v\w\x\y\z
+%%   Digits        \0\1\2\3\4\5\6\7\8\9
+%%   Exclamation   \!     Double quote  \"     Hash (number) \#
+%%   Dollar        \$     Percent       \%     Ampersand     \&
+%%   Acute accent  \'     Left paren    \(     Right paren   \)
+%%   Asterisk      \*     Plus          \+     Comma         \,
+%%   Minus         \-     Point         \.     Solidus       \/
+%%   Colon         \:     Semicolon     \;     Less than     \<
+%%   Equals        \=     Greater than  \>     Question mark \?
+%%   Commercial at \@     Left bracket  \[     Backslash     \\
+%%   Right bracket \]     Circumflex    \^     Underscore    \_
+%%   Grave accent  \`     Left brace    \{     Vertical bar  \|
+%%   Right brace   \}     Tilde         \~}
+\NeedsTeXFormat{pLaTeX2e}
+\ProvidesFile{methylen.dtx}[1998/12/25 v2.00 XyMTeX{} package file]
+\documentclass{ltxdoc}
+\GetFileInfo{methylen.dtx}
+\def\UPSILON{\char'7}
+\def\XyM{X\kern-.30em\smash{%
+\raise.50ex\hbox{\UPSILON}}\kern-.30em{M}}
+\def\XyMTeX{\XyM\kern-.1em\TeX}
+\title{Methylene Chains by {\sffamily methylen.sty}
+(\fileversion) of \XyMTeX{}}
+\author{Shinsaku Fujita \\
+Department of Chemistry and Materials Technology, \\
+Kyoto Institute of Technology, \\
+Matsugasaki, Sakyoku, Kyoto, 606 Japan
+}
+\date{\filedate}
+\begin{document}
+   \maketitle
+   \DocInput{methylen.dtx}
+\end{document}
+\endinput
+%%
+%% End of file `methylen.drv'.
diff --git a/Master/texmf-dist/source/latex/xymtex/methylen.dtx b/Master/texmf-dist/source/latex/xymtex/methylen.dtx
new file mode 100644
index 00000000000..7c10c684766
--- /dev/null
+++ b/Master/texmf-dist/source/latex/xymtex/methylen.dtx
@@ -0,0 +1,5689 @@
+% \iffalse meta-comment

+%% File: methylen.dtx

+%

+%  Copyright 1998 by Shinsaku Fujita

+%

+%  This file is part of XyMTeX system.

+%  -------------------------------------

+%

+% This file is a part of the macro package ``XyMTeX'' which has been 

+% designed for typesetting chemical structural formulas.

+%

+% This file is to be contained in the ``xymtex'' directory which is 

+% an input directory for TeX. It is a LaTeX optional style file and 

+% should be used only within LaTeX, because several macros of the file 

+% are based on LaTeX commands. 

+%

+% For the review of XyMTeX, see

+%  (1)  Shinsaku Fujita, ``Typesetting structural formulas with the text

+%    formatter TeX/LaTeX'', Computers and Chemistry, in press.    

+% The following book deals with an application of TeX/LaTeX to 

+% preparation of manuscripts of chemical fields:

+%  (2)  Shinsaku Fujita, ``LaTeX for Chemists and Biochemists'' 

+%    Tokyo Kagaku Dozin, Tokyo (1993) [in Japanese].  

+%

+% Copying of this file is authorized only if either

+%  (1) you make absolutely no changes to your copy, including name and 

+%     directory name; or

+%  (2) if you do make changes, 

+%     (a) you name it something other than the names included in the 

+%         ``xymtex'' directory and 

+%     (b) you are requested to leave this notice intact.

+% This restriction ensures that all standard styles are identical.

+%

+% Please report any bugs, comments, suggestions, etc. to:

+%   Shinsaku Fujita, 

+%   Department of Chemistry and Materials Technology, 

+%   Kyoto Institute of Technology, \\

+%   Matsugasaki, Sakyoku, Kyoto, 606 Japan

+% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%

+% \def\j@urnalname{methylen}

+% \def\versi@ndate{October 31, 1998}

+% \def\versi@nno{ver1.02}

+% \def\copyrighth@lder{SF} % Shinsaku Fujita

+% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%

+%

+% \fi

+%

+% \CheckSum{7043}

+%% \CharacterTable

+%%  {Upper-case    \A\B\C\D\E\F\G\H\I\J\K\L\M\N\O\P\Q\R\S\T\U\V\W\X\Y\Z

+%%   Lower-case    \a\b\c\d\e\f\g\h\i\j\k\l\m\n\o\p\q\r\s\t\u\v\w\x\y\z

+%%   Digits        \0\1\2\3\4\5\6\7\8\9

+%%   Exclamation   \!     Double quote  \"     Hash (number) \#

+%%   Dollar        \$     Percent       \%     Ampersand     \&

+%%   Acute accent  \'     Left paren    \(     Right paren   \)

+%%   Asterisk      \*     Plus          \+     Comma         \,

+%%   Minus         \-     Point         \.     Solidus       \/

+%%   Colon         \:     Semicolon     \;     Less than     \<

+%%   Equals        \=     Greater than  \>     Question mark \?

+%%   Commercial at \@     Left bracket  \[     Backslash     \\

+%%   Right bracket \]     Circumflex    \^     Underscore    \_

+%%   Grave accent  \`     Left brace    \{     Vertical bar  \|

+%%   Right brace   \}     Tilde         \~}

+%

+% \setcounter{StandardModuleDepth}{1}

+%

+% \StopEventually{}

+% \MakeShortVerb{\|}

+%

+% \iffalse

+% \changes{v1.02}{1998/10/31}{first edition for LaTeX2e}

+% \changes{v2.00}{1998/12/25}{enhanced edition for LaTeX2e}

+% \fi

+%

+% \iffalse

+%<*driver>

+\NeedsTeXFormat{pLaTeX2e}

+% \fi

+\ProvidesFile{methylen.dtx}[1998/12/25 v2.00 XyMTeX{} package file]

+% \iffalse

+\documentclass{ltxdoc}

+\GetFileInfo{methylen.dtx}

+%

+% %%XyMTeX Logo: Definition 2%%%

+\def\UPSILON{\char'7}

+\def\XyM{X\kern-.30em\smash{%

+\raise.50ex\hbox{\UPSILON}}\kern-.30em{M}}

+\def\XyMTeX{\XyM\kern-.1em\TeX}

+% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%

+\title{Methylene Chains by {\sffamily methylen.sty} 

+(\fileversion) of \XyMTeX{}}

+\author{Shinsaku Fujita \\ 

+Department of Chemistry and Materials Technology, \\

+Kyoto Institute of Technology, \\

+Matsugasaki, Sakyoku, Kyoto, 606 Japan

+}

+\date{\filedate}

+%

+\begin{document}

+   \maketitle

+   \DocInput{methylen.dtx}

+\end{document}

+%</driver>

+% \fi

+%

+% \section{Introduction}\label{methylen:intro}

+%

+% \subsection{Options for {\sffamily docstrip}}

+%

+% \DeleteShortVerb{\|}

+% \begin{center}

+% \begin{tabular}{|l|l|}

+% \hline

+% \emph{option} & \emph{function}\\ \hline

+% methylen & methylen.sty \\

+% driver & driver for this dtx file \\

+% \hline

+% \end{tabular}

+% \end{center}

+% \MakeShortVerb{\|}

+%

+% \subsection{Version Information}

+%

+%    \begin{macrocode}

+%<*methylen>

+\typeout{XyMTeX for Drawing Chemical Structural Formulas. Version 2.00}

+\typeout{       -- Released December 25, 1998 by Shinsaku Fujita}

+% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%

+\def\j@urnalname{methylen}

+\def\versi@ndate{December 25, 1998}

+\def\versi@nno{ver2.00}

+\def\copyrighth@lder{SF} % Shinsaku Fujita

+% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%

+\typeout{XyMTeX Macro File `\j@urnalname' (\versi@nno) <\versi@ndate>%

+\space[\copyrighth@lder]}

+%    \end{macrocode}

+%

+% \section{List of commands for methylen.sty}

+%

+% \begin{verbatim}

+% **********************************

+% * methylen.sty: list of commands * 

+% **********************************

+%

+%  <Switches for drawing substituents and bonds>

+%

+%    \if@adoublebond     \if@bdoublebond

+%    \if@Adoublebond     \if@adoublebond}

+%    \reset@double

+%    \if@linterchainsw   \if@rinterchainsw}

+%    \reset@interchainsw

+%

+%  <Command for drawing substituents and bonds>

+%

+%   \@methsubsta      \@methsubstd   \@methsubstdL

+%   \SKbondA          \SKbondB

+%   \bondA            \bondAA

+%   \bondB            \bondBB

+%

+%  <Basic commands for typesetting aliphatic chains>

+%

+%    \@@trimethylene 

+%    \@@dimethylene 

+%

+%  <Commands for adjusting substitution sites>

+%

+%    \yltrimethyleneposition

+%    \yldimethyleneposition

+%

+%   <Commands for drawing aliphatic chains>

+%   

+%    \trimethylene 

+%    \dimethylene 

+%    \tetramethylene 

+%    \pentamethylene 

+%

+% \end{verbatim}

+%

+% \section{Input of basic macros}

+%

+% To assure the compatibility to \LaTeX{}2.09 (the native mode), 

+% the commands added by \LaTeXe{} have not been used in the resulting sty 

+% files ({\sf polymers.sty} for the present case).  Hence, the combination 

+% of |\input| and |\@ifundefined| is used to crossload sty 

+% files ({\sf chemstr.sty} etc. for the present case) in place of the 

+% |\RequirePackage| command of \LaTeXe{}. 

+%

+%    \begin{macrocode}

+% *************************

+% * input of basic macros *

+% *************************

+\@ifundefined{setsixringv}{\input chemstr.sty\relax}{}

+\@ifundefined{Westbond}{\input aliphat.sty\relax}{}

+\@ifundefined{bzdrv}{\input carom.sty\relax}{}

+\@ifundefined{hbonde}{\input hetaromh.sty\relax}{}

+\unitlength=0.1pt

+%    \end{macrocode}

+%

+% \section{Setting Substituents}

+% 

+% Substitutions on each methylene of a polymethylene chain 

+% is typeset by macros |\@methsubsta| etc. 

+% The macro |\@methsubsta| is used to place substituents on an 

+% upper-side methylene. A new bond modifier ``W'' is added to 

+% typeset a terminal substituent. 

+%

+% \begin{macro}{\@methsubsta}

+%    \begin{macrocode}

+\newif\if@wrongbdWa \@wrongbdWafalse

+\newif\if@wrongbdWd \@wrongbdWdfalse

+\newif\if@wrongbdWaL \@wrongbdWaLfalse

+\newif\if@wrongbdWdL \@wrongbdWdLfalse

+\def\@methsubsta{%

+\if@aclip% %clipping

+   \if\@tmpb S%single bond

+    \ifx\@tmpc\empty%

+      \yl@xdiff=31\relax

+      \yl@ydiff=-17\relax

+           \put(0,436){\line(0,1){110}}%      % single bond at 1

+           \putlratom{-31}{563}{\@memberb}%   % left or right type

+    \else\if\@tmpc B%(B) beta

+      \yl@xdiff=-36\relax

+      \yl@ydiff=-27\relax

+           \putlatom{-42}{563}{\@memberb}%    % left type

+           {%

+           \thicklines%

+           \put(-18,436){\line(-3,5){60}}%    % single bond at 1

+           }%

+    \else\if\@tmpc A%(A) alpha

+      \yl@xdiff=37\relax

+      \yl@ydiff=-27\relax

+           \putratom{41}{563}{\@memberb}%     % right type

+       \@ifundefined{dottedline}{%

+           \put(18,436){\line(3,5){60}}%      % single bond at 1

+           }{{\thicklines%

+              \dottedline{20}(18,436)(72,526)}}%

+    \else\if\@tmpc b%(b) beta

+      \yl@xdiff=-36\relax

+      \yl@ydiff=-27\relax

+           \putlatom{-42}{563}{\@memberb}%    % left type

+           \put(-18,436){\line(-3,5){60}}%    % single bond at 1

+    \else\if\@tmpc a%(a) alpha

+      \yl@xdiff=37\relax

+      \yl@ydiff=-27\relax

+           \putratom{41}{563}{\@memberb}%     % right type

+           \put(18,436){\line(3,5){60}}%      % single bond at 1

+    \fi\fi\fi\fi\fi%

+   \else\if\@tmpb D%double bond

+      \yl@xdiff=31\relax

+      \yl@ydiff=-17\relax

+           \putlratom{-31}{563}{\@memberb}%   % left or right type

+           \put(-12,436){\line(0,1){110}}%    % double bond at 1

+           \put(12,436){\line(0,1){110}}%     % double bond at 1

+   \else\if\@tmpb B%beta single bond

+      \yl@xdiff=31\relax

+      \yl@ydiff=-17\relax

+           \putlratom{-31}{563}{\@memberb}%   % left or right type

+           {%

+           \thicklines%

+           \put(0,436){\line(0,1){110}}%      % single bond at 1

+           }%

+   \else\if\@tmpb A%alpha single bond

+      \yl@xdiff=31\relax

+      \yl@ydiff=-17\relax

+           \putlratom{-31}{563}{\@memberb}%   % left or right type

+           \@ifundefined{dottedline}{%

+             \put(0,436){\line(0,1){110}}%    % single bond at 1

+           }{{\thicklines%

+              \dottedline{20}(0,436)(0,546)}}%

+   \else\if\@tmpb W%beta single bond

+      \yl@xdiff=-10\relax

+      \yl@ydiff=46\relax

+      \if@wrongbdWa

+        \XyMTeXWarning{Wrong Bond-Modifier (W)}%

+      \fi

+           \putratom{150}{276}{\@memberb}%   % left or right type

+           \put(40,382){\line(5,-3){100}}%      % single bond at 1

+   \else%

+      \yl@xdiff=31\relax

+      \yl@ydiff=-17\relax

+           \putlratom{-31}{563}{\@memberb}%   % left or right type

+           \put(0,436){\line(0,1){110}}%      % single bond at 1

+   \fi\fi\fi\fi\fi%

+\else% % no clipping

+   \if\@tmpb S%single bond

+    \ifx\@tmpc\empty%

+      \yl@xdiff=31\relax

+      \yl@ydiff=-17\relax

+           \put(0,406){\line(0,1){140}}%      % single bond at 1

+           \putlratom{-31}{563}{\@memberb}%   % left or right type

+    \else\if\@tmpc B%(B) beta

+      \yl@xdiff=-30\relax

+      \yl@ydiff=-37\relax

+           \putlatom{-42}{563}{\@memberb}%    % left type

+           {%

+           \thicklines%

+           \put(0,406){\line(-3,5){72}}%      % single bond at 1

+           }%

+    \else\if\@tmpc A%(A) alpha

+      \yl@xdiff=31\relax

+      \yl@ydiff=-37\relax

+           \putratom{41}{563}{\@memberb}%     % right type

+       \@ifundefined{dottedline}{%

+           \put(0,406){\line(3,5){72}}%       % single bond at 1

+           }{{\thicklines%

+              \dottedline{20}(0,406)(72,526)}}%

+    \else\if\@tmpc b%(b) beta

+      \yl@xdiff=-30\relax

+      \yl@ydiff=-37\relax

+           \putlatom{-42}{563}{\@memberb}%    % left type

+           \put(0,406){\line(-3,5){72}}%      % single bond at 1

+    \else\if\@tmpc a%(a) alpha

+      \yl@xdiff=31\relax

+      \yl@ydiff=-37\relax

+           \putratom{41}{563}{\@memberb}%     % right type

+           \put(0,406){\line(3,5){72}}%       % single bond at 1

+    \fi\fi\fi\fi\fi%

+   \else\if\@tmpb D%double bond

+      \yl@xdiff=31\relax

+      \yl@ydiff=-17\relax

+           \putlratom{-31}{563}{\@memberb}%   % left or right type

+           \put(-12,406){\line(0,1){140}}%    % double bond at 1

+           \put(12,406){\line(0,1){140}}%     % double bond at 1

+   \else\if\@tmpb B%beta single bond

+      \yl@xdiff=31\relax

+      \yl@ydiff=-17\relax

+           \putlratom{-31}{563}{\@memberb}%   % left or right type

+           {%

+           \thicklines%

+           \put(0,406){\line(0,1){140}}%      % single bond at 1

+           }%

+   \else\if\@tmpb A%alpha single bond

+      \yl@xdiff=31\relax

+      \yl@ydiff=-17\relax

+           \putlratom{-31}{563}{\@memberb}%   % left or right type

+           \@ifundefined{dottedline}{%

+             \put(0,406){\line(0,1){140}}%    % single bond at 1

+           }{{\thicklines%

+              \dottedline{20}(0,406)(0,546)}}%

+   \else\if\@tmpb W%beta single bond

+      \yl@xdiff=-10\relax

+      \yl@ydiff=58\relax

+      \if@wrongbdWa

+        \XyMTeXWarning{Wrong Bond-Modifier (W)}%

+      \fi

+           \putratom{130}{276}{\@memberb}%   % left or right type

+           \put(0,406){\line(5,-3){120}}%      % single bond at 1

+   \else%

+      \yl@xdiff=31\relax

+      \yl@ydiff=-17\relax

+           \putlratom{-31}{563}{\@memberb}%   % left or right type

+           \put(0,406){\line(0,1){140}}%      % single bond at 1

+   \fi\fi\fi\fi\fi%

+ \fi}%

+%    \end{macrocode}

+% \end{macro}

+%

+% The macro |\@methsubstd| is used to place substituents on a 

+% down-side methylene. A new bond modifier ``W'' is added to 

+% typeset a terminal substituent. 

+%

+% \begin{macro}{\@methsubstd}

+%    \begin{macrocode}

+\def\@methsubstd{%

+\if@clip %clipping

+    \if\@tmpb S%single bond

+    \ifx\@tmpc\empty%

+      \yl@xdiff=31\relax

+      \yl@ydiff=90\relax

+           \putlratom{-31}{-230}{\@memberb}%  % left or right type

+            \put(0,-30){\line(0,-1){110}}%    % single bond at 4

+    \else\if\@tmpc B%(B) beta

+      \yl@xdiff=-36\relax

+      \yl@ydiff=100\relax

+           \putlatom{-42}{-230}{\@memberb}%   % left type

+           {%

+           \thicklines%

+           \put(-18,-30){\line(-3,-5){60}}%   % single bond at 4

+           }%

+    \else\if\@tmpc A%(A) alpha

+      \yl@xdiff=37\relax

+      \yl@ydiff=100\relax

+           \putratom{41}{-230}{\@memberb}%    % right type

+       \@ifundefined{dottedline}{%

+           \put(18,-30){\line(3,-5){60}}%     % single bond at 4

+           }{{\thicklines%

+              \dottedline{20}(18,-30)(72,-120)}}%

+    \else\if\@tmpc b%(b) beta

+      \yl@xdiff=-36\relax

+      \yl@ydiff=100\relax

+           \putlatom{-42}{-230}{\@memberb}%   % left type

+           \put(-18,-30){\line(-3,-5){60}}%   % single bond at 4

+    \else\if\@tmpc a%(a) alpha

+      \yl@xdiff=37\relax

+      \yl@ydiff=100\relax

+           \putratom{41}{-230}{\@memberb}%    % right type

+           \put(18,-30){\line(3,-5){60}}%     % single bond at 4

+    \fi\fi\fi\fi\fi%

+   \else\if\@tmpb D%double bond

+      \yl@xdiff=31\relax

+      \yl@ydiff=90\relax

+           \putlratom{-31}{-230}{\@memberb}%  % left or right type

+           \put(-12,-30){\line(0,-1){110}}%   % double bond at 4

+           \put(12,-30){\line(0,-1){110}}%    % double bond at 4

+   \else\if\@tmpb B%beta single bond

+      \yl@xdiff=31\relax

+      \yl@ydiff=90\relax

+           \putlratom{-31}{-230}{\@memberb}%  % left or right type

+           {%

+           \thicklines%

+           \put(0,-30){\line(0,-1){110}}%    % single bond at 4

+           }%

+   \else\if\@tmpb A%alpha single bond

+      \yl@xdiff=31\relax

+      \yl@ydiff=90\relax

+           \putlratom{-31}{-230}{\@memberb}%  % left or right type

+       \@ifundefined{dottedline}{%

+           \put(0,-30){\line(0,-1){110}}%     % single bond at 4

+           }{{\thicklines%

+              \dottedline{20}(0,-30)(0,-140)}}%

+   \else\if\@tmpb W%beta single bond

+      \yl@xdiff=-10\relax

+      \yl@ydiff=30\relax

+           \putlratom{150}{54}{\@memberb}%  % left or right type

+           \put(40,24){\line(5,3){100}}%    % single bond at 4

+      \if@wrongbdWd

+        \XyMTeXWarning{Wrong Bond-Modifier (W)}%

+      \fi

+   \else%

+      \yl@xdiff=31\relax

+      \yl@ydiff=90\relax

+           \putlratom{-31}{-230}{\@memberb}%  % left or right type

+           \put(0,-30){\line(0,-1){110}}%     % single bond at 4

+   \fi\fi\fi\fi\fi%

+ \else% no clipping

+   \if\@tmpb S%single bond

+    \ifx\@tmpc\empty%

+      \yl@xdiff=31\relax

+      \yl@ydiff=90\relax

+           \putlratom{-31}{-230}{\@memberb}%  % left or right type

+            \put(0,0){\line(0,-1){140}}%      % single bond at 4

+    \else\if\@tmpc B%(B) beta

+      \yl@xdiff=-30\relax

+      \yl@ydiff=110\relax

+           \putlatom{-42}{-230}{\@memberb}%   % left type

+           {%

+           \thicklines%

+           \put(0,0){\line(-3,-5){72}}%       % single bond at 4

+           }%

+    \else\if\@tmpc A%(A) alpha

+      \yl@xdiff=31\relax

+      \yl@ydiff=110\relax

+           \putratom{41}{-230}{\@memberb}%    % right type

+       \@ifundefined{dottedline}{%

+           \put(0,0){\line(3,-5){72}}%        % single bond at 4

+           }{{\thicklines%

+              \dottedline{20}(0,0)(72,-120)}}%

+    \else\if\@tmpc b%(b) beta

+      \yl@xdiff=-30\relax

+      \yl@ydiff=110\relax

+           \putlatom{-42}{-230}{\@memberb}%   % left type

+           \put(0,0){\line(-3,-5){72}}%       % single bond at 4

+    \else\if\@tmpc a%(a) alpha

+      \yl@xdiff=31\relax

+      \yl@ydiff=110\relax

+           \putratom{41}{-230}{\@memberb}%    % right type

+           \put(0,0){\line(3,-5){72}}%        % single bond at 4

+    \fi\fi\fi\fi\fi%

+   \else\if\@tmpb D%double bond

+      \yl@xdiff=31\relax

+      \yl@ydiff=90\relax

+           \putlratom{-31}{-230}{\@memberb}%  % left or right type

+           \put(-12,0){\line(0,-1){140}}%     % double bond at 4

+           \put(12,0){\line(0,-1){140}}%      % double bond at 4

+   \else\if\@tmpb B%beta single bond

+      \yl@xdiff=31\relax

+      \yl@ydiff=90\relax

+           \putlratom{-31}{-230}{\@memberb}%  % left or right type

+           {%

+           \thicklines%

+           \put(0,0){\line(0,-1){140}}%       % single bond at 4

+           }%

+   \else\if\@tmpb A%alpha single bond

+      \yl@xdiff=31\relax

+      \yl@ydiff=90\relax

+           \putlratom{-31}{-230}{\@memberb}%  % left or right type

+       \@ifundefined{dottedline}{%

+           \put(0,0){\line(0,-1){140}}%      % single bond at 4

+           }{{\thicklines%

+              \dottedline{20}(0,0)(0,-140)}}%

+   \else\if\@tmpb W%beta single bond

+      \yl@xdiff=-10\relax

+      \yl@ydiff=30\relax

+           \putlratom{150}{54}{\@memberb}%  % left or right type

+           \put(0,0){\line(5,3){140}}%    % single bond at 4

+      \if@wrongbdWd

+        \XyMTeXWarning{Wrong Bond-Modifier (W)}%

+      \fi

+   \else%

+      \yl@xdiff=31\relax

+      \yl@ydiff=90\relax

+           \putlratom{-31}{-230}{\@memberb}%  % left or right type

+           \put(0,0){\line(0,-1){140}}%       % single bond at 4

+   \fi\fi\fi\fi\fi%

+ \fi}%

+%    \end{macrocode}

+% \end{macro}

+%

+% The macro |\@methsubstdL| is used to place substituents on a 

+% left-teminal down-side methylene. A new bond modifier ``W'' is 

+% added to typeset a terminal substituent. 

+%

+% \begin{macro}{\@methsubstdL}

+%    \begin{macrocode}

+\def\@methsubstdL{%

+\if@clip %clipping

+    \if\@tmpb S%single bond

+    \ifx\@tmpc\empty%

+      \yl@xdiff=31\relax

+      \yl@ydiff=90\relax

+           \putlratom{-31}{-230}{\@memberb}%  % left or right type

+            \put(0,-30){\line(0,-1){110}}%    % single bond at 4

+    \else\if\@tmpc B%(B) beta

+      \yl@xdiff=-36\relax

+      \yl@ydiff=100\relax

+           \putlatom{-42}{-230}{\@memberb}%   % left type

+           {%

+           \thicklines%

+           \put(-18,-30){\line(-3,-5){60}}%   % single bond at 4

+           }%

+    \else\if\@tmpc A%(A) alpha

+      \yl@xdiff=37\relax

+      \yl@ydiff=100\relax

+           \putratom{41}{-230}{\@memberb}%    % right type

+       \@ifundefined{dottedline}{%

+           \put(18,-30){\line(3,-5){60}}%     % single bond at 4

+           }{{\thicklines%

+              \dottedline{20}(18,-30)(72,-120)}}%

+    \else\if\@tmpc b%(b) beta

+      \yl@xdiff=-36\relax

+      \yl@ydiff=100\relax

+           \putlatom{-42}{-230}{\@memberb}%   % left type

+           \put(-18,-30){\line(-3,-5){60}}%   % single bond at 4

+    \else\if\@tmpc a%(a) alpha

+      \yl@xdiff=37\relax

+      \yl@ydiff=100\relax

+           \putratom{41}{-230}{\@memberb}%    % right type

+           \put(18,-30){\line(3,-5){60}}%     % single bond at 4

+    \fi\fi\fi\fi\fi%

+   \else\if\@tmpb D%double bond

+      \yl@xdiff=31\relax

+      \yl@ydiff=90\relax

+           \putlratom{-31}{-230}{\@memberb}%  % left or right type

+           \put(-12,-30){\line(0,-1){110}}%   % double bond at 4

+           \put(12,-30){\line(0,-1){110}}%    % double bond at 4

+   \else\if\@tmpb B%beta single bond

+      \yl@xdiff=31\relax

+      \yl@ydiff=90\relax

+           \putlratom{-31}{-230}{\@memberb}%  % left or right type

+           {%

+           \thicklines%

+           \put(0,-30){\line(0,-1){110}}%    % single bond at 4

+           }%

+   \else\if\@tmpb A%alpha single bond

+      \yl@xdiff=31\relax

+      \yl@ydiff=90\relax

+           \putlratom{-31}{-230}{\@memberb}%  % left or right type

+       \@ifundefined{dottedline}{%

+           \put(0,-30){\line(0,-1){110}}%     % single bond at 4

+           }{{\thicklines%

+              \dottedline{20}(0,-30)(0,-140)}}%

+   \else\if\@tmpb W%beta single bond

+      \yl@xdiff=10\relax

+      \yl@ydiff=30\relax

+           \putlatom{-150}{54}{\@memberb}%  % lefttype

+           \put(-40,24){\line(-5,3){100}}%    % single bond at 4

+      \if@wrongbdWdL

+        \XyMTeXWarning{Wrong Bond-Modifier (W)}%

+      \fi

+   \else%

+      \yl@xdiff=31\relax

+      \yl@ydiff=90\relax

+           \putlratom{-31}{-230}{\@memberb}%  % left or right type

+           \put(0,-30){\line(0,-1){110}}%     % single bond at 4

+   \fi\fi\fi\fi\fi%

+ \else% no clipping

+   \if\@tmpb S%single bond

+    \ifx\@tmpc\empty%

+      \yl@xdiff=31\relax

+      \yl@ydiff=90\relax

+           \putlratom{-31}{-230}{\@memberb}%  % left or right type

+            \put(0,0){\line(0,-1){140}}%      % single bond at 4

+    \else\if\@tmpc B%(B) beta

+      \yl@xdiff=-30\relax

+      \yl@ydiff=110\relax

+           \putlatom{-42}{-230}{\@memberb}%   % left type

+           {%

+           \thicklines%

+           \put(0,0){\line(-3,-5){72}}%       % single bond at 4

+           }%

+    \else\if\@tmpc A%(A) alpha

+      \yl@xdiff=31\relax

+      \yl@ydiff=110\relax

+           \putratom{41}{-230}{\@memberb}%    % right type

+       \@ifundefined{dottedline}{%

+           \put(0,0){\line(3,-5){72}}%        % single bond at 4

+           }{{\thicklines%

+              \dottedline{20}(0,0)(72,-120)}}%

+    \else\if\@tmpc b%(b) beta

+      \yl@xdiff=-30\relax

+      \yl@ydiff=110\relax

+           \putlatom{-42}{-230}{\@memberb}%   % left type

+           \put(0,0){\line(-3,-5){72}}%       % single bond at 4

+    \else\if\@tmpc a%(a) alpha

+      \yl@xdiff=31\relax

+      \yl@ydiff=110\relax

+           \putratom{41}{-230}{\@memberb}%    % right type

+           \put(0,0){\line(3,-5){72}}%        % single bond at 4

+    \fi\fi\fi\fi\fi%

+   \else\if\@tmpb D%double bond

+      \yl@xdiff=31\relax

+      \yl@ydiff=90\relax

+           \putlratom{-31}{-230}{\@memberb}%  % left or right type

+           \put(-12,0){\line(0,-1){140}}%     % double bond at 4

+           \put(12,0){\line(0,-1){140}}%      % double bond at 4

+   \else\if\@tmpb B%beta single bond

+      \yl@xdiff=31\relax

+      \yl@ydiff=90\relax

+           \putlratom{-31}{-230}{\@memberb}%  % left or right type

+           {%

+           \thicklines%

+           \put(0,0){\line(0,-1){140}}%       % single bond at 4

+           }%

+   \else\if\@tmpb A%alpha single bond

+      \yl@xdiff=31\relax

+      \yl@ydiff=90\relax

+           \putlratom{-31}{-230}{\@memberb}%  % left or right type

+       \@ifundefined{dottedline}{%

+           \put(0,0){\line(0,-1){140}}%      % single bond at 4

+           }{{\thicklines%

+              \dottedline{20}(0,0)(0,-140)}}%

+   \else\if\@tmpb W%beta single bond

+      \yl@xdiff=10\relax

+      \yl@ydiff=30\relax

+           \putlatom{-150}{54}{\@memberb}%  % left type

+           \put(0,0){\line(-5,3){140}}%    % single bond at 4

+      \if@wrongbdWdL

+        \XyMTeXWarning{Wrong Bond-Modifier (W)}%

+      \fi

+   \else%

+      \yl@xdiff=31\relax

+      \yl@ydiff=90\relax

+           \putlratom{-31}{-230}{\@memberb}%  % left or right type

+           \put(0,0){\line(0,-1){140}}%       % single bond at 4

+   \fi\fi\fi\fi\fi%

+ \fi}%

+%    \end{macrocode}

+% \end{macro}

+%

+% The macro |\@methsubstaL| is used to place substituents on a 

+% left-teminal upper-side methylene. A new bond modifier ``W'' is 

+% added to typeset a terminal substituent. 

+%

+% \begin{macro}{\@methsubstaL}

+%    \begin{macrocode}

+\def\@methsubstaL{%

+\if@aclip% %clipping

+   \if\@tmpb S%single bond

+    \ifx\@tmpc\empty%

+      \yl@xdiff=31\relax

+      \yl@ydiff=-17\relax

+           \put(0,436){\line(0,1){110}}%      % single bond at 1

+           \putlratom{-31}{563}{\@memberb}%   % left or right type

+    \else\if\@tmpc B%(B) beta

+      \yl@xdiff=-36\relax

+      \yl@ydiff=-27\relax

+           \putlatom{-42}{563}{\@memberb}%    % left type

+           {%

+           \thicklines%

+           \put(-18,436){\line(-3,5){60}}%    % single bond at 1

+           }%

+    \else\if\@tmpc A%(A) alpha

+      \yl@xdiff=37\relax

+      \yl@ydiff=-27\relax

+           \putratom{41}{563}{\@memberb}%     % right type

+       \@ifundefined{dottedline}{%

+           \put(18,436){\line(3,5){60}}%      % single bond at 1

+           }{{\thicklines%

+              \dottedline{20}(18,436)(72,526)}}%

+    \else\if\@tmpc b%(b) beta

+      \yl@xdiff=-36\relax

+      \yl@ydiff=-27\relax

+           \putlatom{-42}{563}{\@memberb}%    % left type

+           \put(-18,436){\line(-3,5){60}}%    % single bond at 1

+    \else\if\@tmpc a%(a) alpha

+      \yl@xdiff=37\relax

+      \yl@ydiff=-27\relax

+           \putratom{41}{563}{\@memberb}%     % right type

+           \put(18,436){\line(3,5){60}}%      % single bond at 1

+    \fi\fi\fi\fi\fi%

+   \else\if\@tmpb D%double bond

+      \yl@xdiff=31\relax

+      \yl@ydiff=-17\relax

+           \putlratom{-31}{563}{\@memberb}%   % left or right type

+           \put(-12,436){\line(0,1){110}}%    % double bond at 1

+           \put(12,436){\line(0,1){110}}%     % double bond at 1

+   \else\if\@tmpb B%beta single bond

+      \yl@xdiff=31\relax

+      \yl@ydiff=-17\relax

+           \putlratom{-31}{563}{\@memberb}%   % left or right type

+           {%

+           \thicklines%

+           \put(0,436){\line(0,1){110}}%      % single bond at 1

+           }%

+   \else\if\@tmpb A%alpha single bond

+      \yl@xdiff=31\relax

+      \yl@ydiff=-17\relax

+           \putlratom{-31}{563}{\@memberb}%   % left or right type

+           \@ifundefined{dottedline}{%

+             \put(0,436){\line(0,1){110}}%    % single bond at 1

+           }{{\thicklines%

+              \dottedline{20}(0,436)(0,546)}}%

+   \else\if\@tmpb W%beta single bond

+      \yl@xdiff=10\relax

+      \yl@ydiff=46\relax

+           \putlatom{-150}{276}{\@memberb}%   % left type

+           \put(-40,382){\line(-5,-3){100}}%      % single bond at 1

+      \if@wrongbdWaL

+        \XyMTeXWarning{Wrong Bond-Modifier (W)}%

+      \fi

+   \else%

+      \yl@xdiff=31\relax

+      \yl@ydiff=-17\relax

+           \putlratom{-31}{563}{\@memberb}%   % left or right type

+           \put(0,436){\line(0,1){110}}%      % single bond at 1

+   \fi\fi\fi\fi\fi%

+\else% % no clipping

+   \if\@tmpb S%single bond

+    \ifx\@tmpc\empty%

+      \yl@xdiff=31\relax

+      \yl@ydiff=-17\relax

+           \put(0,406){\line(0,1){140}}%      % single bond at 1

+           \putlratom{-31}{563}{\@memberb}%   % left or right type

+    \else\if\@tmpc B%(B) beta

+      \yl@xdiff=-30\relax

+      \yl@ydiff=-37\relax

+           \putlatom{-42}{563}{\@memberb}%    % left type

+           {%

+           \thicklines%

+           \put(0,406){\line(-3,5){72}}%      % single bond at 1

+           }%

+    \else\if\@tmpc A%(A) alpha

+      \yl@xdiff=31\relax

+      \yl@ydiff=-37\relax

+           \putratom{41}{563}{\@memberb}%     % right type

+       \@ifundefined{dottedline}{%

+           \put(0,406){\line(3,5){72}}%       % single bond at 1

+           }{{\thicklines%

+              \dottedline{20}(0,406)(72,526)}}%

+    \else\if\@tmpc b%(b) beta

+      \yl@xdiff=-30\relax

+      \yl@ydiff=-37\relax

+           \putlatom{-42}{563}{\@memberb}%    % left type

+           \put(0,406){\line(-3,5){72}}%      % single bond at 1

+    \else\if\@tmpc a%(a) alpha

+      \yl@xdiff=31\relax

+      \yl@ydiff=-37\relax

+           \putratom{41}{563}{\@memberb}%     % right type

+           \put(0,406){\line(3,5){72}}%       % single bond at 1

+    \fi\fi\fi\fi\fi%

+   \else\if\@tmpb D%double bond

+      \yl@xdiff=31\relax

+      \yl@ydiff=-17\relax

+           \putlratom{-31}{563}{\@memberb}%   % left or right type

+           \put(-12,406){\line(0,1){140}}%    % double bond at 1

+           \put(12,406){\line(0,1){140}}%     % double bond at 1

+   \else\if\@tmpb B%beta single bond

+      \yl@xdiff=31\relax

+      \yl@ydiff=-17\relax

+           \putlratom{-31}{563}{\@memberb}%   % left or right type

+           {%

+           \thicklines%

+           \put(0,406){\line(0,1){140}}%      % single bond at 1

+           }%

+   \else\if\@tmpb A%alpha single bond

+      \yl@xdiff=31\relax

+      \yl@ydiff=-17\relax

+           \putlratom{-31}{563}{\@memberb}%   % left or right type

+           \@ifundefined{dottedline}{%

+             \put(0,406){\line(0,1){140}}%    % single bond at 1

+           }{{\thicklines%

+              \dottedline{20}(0,406)(0,546)}}%

+   \else\if\@tmpb W%beta single bond

+      \yl@xdiff=10\relax

+      \yl@ydiff=58\relax

+           \putlatom{-130}{276}{\@memberb}%   % left type

+           \put(0,406){\line(-5,-3){120}}%      % single bond at 1

+      \if@wrongbdWaL

+        \XyMTeXWarning{Wrong Bond-Modifier (W)}%

+      \fi

+   \else%

+      \yl@xdiff=31\relax

+      \yl@ydiff=-17\relax

+           \putlratom{-31}{563}{\@memberb}%   % left or right type

+           \put(0,406){\line(0,1){140}}%      % single bond at 1

+   \fi\fi\fi\fi\fi%

+ \fi}%

+%    \end{macrocode}

+% \end{macro}

+%

+% \section{Setting Bonds}

+% \subsection{Outer Skeletal Bonds}

+%

+% The macros |\SKbondB| and |\SKbondA| are used to typeset 

+% outer skeletal bonds of a methylene chain (|\..methylene|)

+%

+% \begin{macro}{\SKbondB}

+%    \begin{macrocode}

+\def\SKbondB{%

+  \ifx\bbb\empty%

+    \ifx\ccc\empty%

+     \put(0,406){\line(5,-3){171}}%        %bond 1-2

+    \else%

+     \put(0,406){\line(5,-3){136}}%        %bond 1-2

+    \fi%

+   \else%

+    \ifx\ccc\empty%

+     \put(35,385){\line(5,-3){136}}%       %bond 1-2

+    \else%

+     \put(35,385){\line(5,-3){100}}%       %bond 1-2

+    \fi%

+   \fi}%

+%    \end{macrocode}

+% \end{macro}

+%

+% \begin{macro}{\SKbondA}

+%    \begin{macrocode}

+\def\SKbondA{%

+  \ifx\bbb\empty%

+    \ifx\aaa\empty%

+     \put(0,406){\line(-5,-3){171}}%       %bond 1-6

+    \else%

+     \put(0,406){\line(-5,-3){136}}%       %bond 1-6

+    \fi%

+   \else%

+    \ifx\aaa\empty%

+     \put(-35,385){\line(-5,-3){136}}%     %bond 1-6

+    \else%

+     \put(-35,385){\line(-5,-3){100}}%     %bond 1-6

+    \fi%

+   \fi}%

+%    \end{macrocode}

+% \end{macro}

+%

+% The macros |\SKbondBi| and |\SKbondAi| are used to typeset 

+% outer skeletal bonds of a methylene chain (inverse type |\..methylenei|).

+%

+% \begin{macro}{\SKbondBi}

+%    \begin{macrocode}

+\def\SKbondBi{%

+ \begin{picture}(0,0)(0,0)

+  \ifx\bbb\empty%

+    \ifx\ccc\empty%

+     \put(0,0){\line(5,3){171}}%           %bond 4-3

+    \else%

+     \put(0,0){\line(5,3){136}}%           %bond 4-3

+    \fi%

+  \else%

+    \ifx\ccc\empty%

+     \put(35,21){\line(5,3){138}}%         %bond 4-3

+    \else%

+     \put(35,21){\line(5,3){100}}%         %bond 4-3

+    \fi%

+  \fi\end{picture}}%

+%    \end{macrocode}

+% \end{macro}

+%

+% \begin{macro}{\SKbondAi}

+%    \begin{macrocode}

+\def\SKbondAi{%

+ \begin{picture}(0,0)(0,0)

+  \ifx\bbb\empty%

+    \ifx\aaa\empty%

+     \put(0,0){\line(-5,3){171}}%          %bond 4-5

+    \else%

+     \put(0,0){\line(-5,3){136}}%          %bond 4-5

+    \fi%

+  \else%

+    \ifx\aaa\empty%

+     \put(-35,21){\line(-5,3){138}}%       %bond 4-5

+    \else%

+     \put(-35,21){\line(-5,3){100}}%        %bond 4-5

+    \fi%

+  \fi\end{picture}}%

+%    \end{macrocode}

+% \end{macro}

+%

+% \subsection{Inner Double Bonds}

+% 

+% The macros |\bondB| is used to place a line of 

+% a double bond in the (5,-3) direction at the lower side 

+% of an outer skeletal bond. 

+%

+% \begin{macro}{\bondB}

+%    \begin{macrocode}

+\def\bondB{%

+  \ifx\bbb\empty%

+   \ifx\ccc\empty%

+    \put(6,364){\line(5,-3){126}}%         %double bond 1-2

+   \else%

+    \put(6,364){\line(5,-3){100}}%         %double bond 1-2

+   \fi%

+  \else%

+   \ifx\ccc\empty%

+    \put(35,340){\line(5,-3){100}}%        %double bond 1-2

+   \else%

+    \put(35,352){\line(5,-3){100}}%        %double bond 1-2

+   \fi%                                    % line <1OO not available

+  \fi%

+ }%

+%    \end{macrocode}

+% \end{macro}

+%

+% The macros |\bondBB| is used to place a line of 

+% a double bond in the (5,-3) direction at the upper side 

+% of an outer skeletal bond. 

+%

+% \begin{macro}{\bondBB}

+%    \begin{macrocode}

+\def\bondBB{%

+  \ifx\bbb\empty%

+   \ifx\ccc\empty%

+    \put(42,420){\line(5,-3){126}}%         %double bond 1-2

+   \else%

+    \put(42,420){\line(5,-3){100}}%         %double bond 1-2

+   \fi%

+  \else%

+   \ifx\ccc\empty%

+    \put(52,412){\line(5,-3){110}}%        %double bond 1-2

+   \else%

+    \put(52,412){\line(5,-3){100}}%        %double bond 1-2

+   \fi%                                    % line <1OO not available

+  \fi%

+ }%

+%    \end{macrocode}

+% \end{macro}

+%

+% The macros |\bondA| is used to place a line of 

+% a double bond in the (-5,-3) direction at the lower 

+% side of an outer skeletal bond. 

+%

+% \begin{macro}{\bondA}

+%    \begin{macrocode}

+\def\bondA{%

+  \ifx\bbb\empty%

+   \ifx\aaa\empty%

+    \put(-6,364){\line(-5,-3){126}}%        %double bond 1-6

+   \else%

+    \put(-6,364){\line(-5,-3){100}}%        %double bond 1-6

+   \fi%

+  \else%

+   \ifx\aaa\empty%

+    \put(-35,340){\line(-5,-3){100}}%       %double bond 1-6

+   \else%

+    \put(-35,352){\line(-5,-3){100}}%       %double bond 1-6

+   \fi%                                     % line <1OO not available

+  \fi%

+}%

+%    \end{macrocode}

+% \end{macro}

+%

+% The macros |\bondAA| is used to place a line of 

+% a double bond in the (-5,-3) direction at the upper side 

+% of an outer skeletal bond. 

+%

+% \begin{macro}{\bondAA}

+%    \begin{macrocode}

+\def\bondAA{%

+  \ifx\bbb\empty%

+   \ifx\aaa\empty%

+    \put(-42,420){\line(-5,-3){126}}%        %double bond 1-6

+   \else%

+    \put(-42,420){\line(-5,-3){100}}%        %double bond 1-6

+   \fi%

+  \else%

+   \ifx\aaa\empty%

+    \put(-52,412){\line(-5,-3){100}}%       %double bond 1-6

+   \else%

+    \put(-52,412){\line(-5,-3){100}}%       %double bond 1-6

+   \fi%                                     % line <1OO not available

+  \fi%

+}%

+%    \end{macrocode}

+% \end{macro}

+%

+% The bond-setting commands with sufix ``i'' are used in the definitions 

+% of commands such as |\...methylenei|. 

+%

+% The macros |\bondBi| is used to place a line of 

+% a double bond in the (5,3) direction at the upper side 

+% of an outer skeletal bond. 

+%

+% \begin{macro}{\bondBi}

+%    \begin{macrocode}

+ \def\bondBi{%

+  \ifx\bbb\empty%

+   \ifx\ccc\empty%

+    \put(6,42){\line(5,3){126}}           %double bond 4-3

+   \else% 

+    \put(6,42){\line(5,3){100}}           %double bond 4-3

+   \fi%

+  \else%

+   \ifx\ccc\empty%

+    \put(35,66){\line(5,3){100}}%          %double bond 4-3

+   \else% 

+    \put(35,60){\line(5,3){100}}%          %double bond 4-3

+   \fi%                                    % line <1OO not available

+  \fi%

+}%

+%    \end{macrocode}

+% \end{macro}

+%

+% The macros |\bondBBi| is used to place a line of 

+% a double bond in the (5,3) direction at the lower 

+% side of an outer skeletal bond. 

+%

+% \begin{macro}{\bondBBi}

+%    \begin{macrocode}

+ \def\bondBBi{%

+  \ifx\bbb\empty%

+   \ifx\ccc\empty%

+%    \put(6,42){\line(5,3){126}}           %double bond 4-3

+    \put(42,-14){\line(5,3){126}}%        %double bond 1-6

+   \else% 

+%    \put(6,42){\line(5,3){100}}           %double bond 4-3

+%    \put(42,-14){\line(5,3){100}}%        %double bond 1-6

+    \put(30,-14){\line(5,3){100}}%        %double bond 1-6

+   \fi%

+  \else%

+   \ifx\ccc\empty%

+%    \put(35,66){\line(5,3){100}}%          %double bond 4-3

+%    \put(52,6){\line(5,3){100}}%       %double bond 1-6

+    \put(52,0){\line(5,3){100}}%       %double bond 1-6

+   \else% 

+%    \put(35,60){\line(5,3){100}}%          %double bond 4-3

+    \put(52,0){\line(5,3){100}}%        %double bond 4-5

+   \fi%                                    % line <1OO not available

+  \fi%

+}%

+%    \end{macrocode}

+% \end{macro}

+%

+% The macros |\bondAi| is used to place a line of 

+% a double bond in the (-5,3) direction at the upper 

+% side of an outer skeletal bond. 

+

+% \begin{macro}{\bondAi}

+%    \begin{macrocode}

+ \def\bondAi{%

+  \ifx\bbb\empty%

+   \ifx\aaa\empty%

+    \put(-6,42){\line(-5,3){126}}%         %double bond 4-5

+   \else% 

+    \put(-6,42){\line(-5,3){100}}%         %double bond 4-5

+   \fi%

+  \else%

+   \ifx\aaa\empty%

+    \put(-35,66){\line(-5,3){100}}%        %double bond 4-5

+   \else% 

+    \put(-35,60){\line(-5,3){100}}%        %double bond 4-5

+   \fi%                                    % line <1OO not available

+  \fi%

+ }%

+%    \end{macrocode}

+% \end{macro}

+%

+% The macros |\bondAAi| is used to place a line of 

+% a double bond in the (-5,3) direction at the lower

+% side of an outer skeletal bond. 

+%

+% \begin{macro}{\bondAAi}

+%    \begin{macrocode}

+ \def\bondAAi{%

+  \ifx\bbb\empty%

+   \ifx\aaa\empty%

+%    \put(-6,42){\line(-5,3){126}}%         %double bond 4-5

+    \put(-42,-14){\line(-5,3){126}}%        %double bond 1-6

+   \else% 

+%    \put(-6,42){\line(-5,3){100}}%         %double bond 4-5

+    \put(-42,-14){\line(-5,3){100}}%        %double bond 1-6

+   \fi%

+  \else%

+   \ifx\aaa\empty%

+%    \put(-35,66){\line(-5,3){100}}%        %double bond 4-5

+    \put(-52,6){\line(-5,3){100}}%       %double bond 1-6

+   \else% 

+%    \put(-35,60){\line(-5,3){100}}%        %double bond 4-5

+    \put(-52,0){\line(-5,3){100}}%        %double bond 4-5

+   \fi%                                    % line <1OO not available

+  \fi%

+ }%

+%    \end{macrocode}

+% \end{macro}

+%

+% \section{Switches}

+%

+% \begin{macro}{\if@adoublebond}

+% \begin{macro}{\if@bdoublebond}

+% \begin{macro}{\if@Adoublebond}

+% \begin{macro}{\if@adoublebond}

+% \begin{macro}{\reset@double}

+%    \begin{macrocode}

+\newif\if@adoublebond \@adoublebondfalse

+\newif\if@bdoublebond \@bdoublebondfalse

+\newif\if@Adoublebond \@Adoublebondfalse

+\newif\if@Bdoublebond \@Bdoublebondfalse

+\def\reset@double{%

+\@adoublebondfalse\@bdoublebondfalse

+\@Adoublebondfalse\@Bdoublebondfalse}

+%    \end{macrocode}

+% \end{macro}

+% \end{macro}

+% \end{macro}

+% \end{macro}

+% \end{macro}

+%

+% \begin{macro}{\if@linterchainsw}

+% \begin{macro}{\if@rinterchainsw}

+% \begin{macro}{\reset@interchainsw}

+%    \begin{macrocode}

+\newif\if@linterchainsw \@linterchainswfalse

+\newif\if@rinterchainsw \@rinterchainswfalse

+\def\reset@interchainsw{\@linterchainswfalse\@rinterchainswfalse}

+%    \end{macrocode}

+% \end{macro}

+% \end{macro}

+% \end{macro}

+%

+% \section{Trimethylene}

+% \subsection{Normal direction}

+%

+% A trimethylene (or propane) and its hetera analogs can be typeset 

+% by the command |\trimethylene|, which is mainly based on 

+% two inner commands: |\yltrimethyleneposition| for adjusting a 

+% substitution site and |\@@trimethylene| for 

+% placing hetero atoms, double bonds, and substituents.

+%

+% \begin{macro}{\@@trimethylene}

+% \begin{verbatim}

+% \@@trimethylene{ATOMLIST}{BONDLIST}{TERMswitch}{Adjust}

+%

+%    <TERMswitch>

+%      0:  all positions 

+%      1:  positions bbb and ccc 

+%      2:  positions aaa and bbb 

+%

+%       bbb

+%        2

+%     a /  `  b

+%     1      3

+%    aaa     ccc

+%

+%    <Adjust>

+%      a positive or negative integer to adjust locant numbers

+% \end{verbatim}

+%

+%    \begin{macrocode}

+\def\@@trimethylene#1#2#3#4{%

+\leavevmode

+\iniatom\iniflag%initialize

+\test@vrtx@trimethy{#1}{#4}%

+%\test@vertix@sixv{#1}{a}{b}{c}{@}{@}{@}%

+\begin{picture}(450,480)(0,0)

+% %%%%%%%%%%%%%%%%%%

+% % outer skeleton %

+% %%%%%%%%%%%%%%%%%%

+  \put(171,-303){\SKbondB}% bond between 1 and 2

+  \put(171,-303){\SKbondA}% bond between 1 and 6

+% %%%%%%%%%%%%%%%%%%%%%

+% % inner double bond %

+% %%%%%%%%%%%%%%%%%%%%%

+\if@adoublebond\relax\put(171,-303){\bondA}\fi

+\if@bdoublebond\relax\put(171,-303){\bondB}\fi

+\if@Adoublebond\relax\put(171,-303){\bondAA}\fi

+\if@Bdoublebond\relax\put(171,-303){\bondBB}\fi

+% %%%%%%%%%%%%%%%%%%%%%%%%

+% % setting hetero atoms %

+% %%%%%%%%%%%%%%%%%%%%%%%%

+\test@termcnt=#3\relax

+%\set@hetatom@methyl{#1}{0}{0}{4}{0}%

+\set@hetatom@methyl{#1}{#4}{0}{4}{0}%

+% %%%%%%%%%%%%%%%%%%%%%%%%

+% % setting substituents %

+% %%%%%%%%%%%%%%%%%%%%%%%%

+\@forsemicol\member:=#2\do{%

+\ifx\member\empty\else

+\expandafter\@m@mb@r\member;\relax%

+\expandafter\threech@r\@membera{}{}%

+\@tmpaa=\@tmpa \advance\@tmpaa by#4\relax

+\ifx\@memberb\@yl\else

+\ifcase\@tmpaa%0 omit

+\or

+ \ifcase#3

+   {\if@aclip \@cliptrue \else \@clipfalse\fi

+   \put(0,0){\@methsubstdL}}%

+  \or\relax

+  \or

+   {\if@aclip \@cliptrue \else \@clipfalse\fi

+   \put(0,0){\@methsubstdL}}%

+ \fi

+\or

+{\if@bclip \@acliptrue \else \@aclipfalse\fi

+  \put(171,-303){\@methsubsta}}

+\or

+ \ifcase#3

+  {\if@cclip \@cliptrue\else \@clipfalse\fi

+  \put(342,0){\@methsubstd}}%

+ \or

+  {\if@cclip \@cliptrue\else \@clipfalse\fi

+  \put(342,0){\@methsubstd}}%

+ \or\relax

+ \fi

+\fi%end of ifcase

+\fi\fi

+}%

+\end{picture}}% end of \@@trimethylene

+%    \end{macrocode}

+% \end{macro}

+%

+% \begin{macro}{\test@vrtx@trimethy}

+% \changes{v2.00}{1998/12/21}{New command: \cs{test@vrtx@trimethy}}
+%    \begin{macrocode}

+\def\test@vrtx@trimethy#1#2{%

+\@forsemicol\member:=#1\do{%

+\ifx\member\empty\else

+\expandafter\@m@mb@r\member;\relax%

+\expandafter\twoch@r\@membera{}%

+\@tmpaa=\@tmpa \advance\@tmpaa by#2\relax

+\ifcase\@tmpaa%

+ \or \if\@tmpb s\relax \xdef\aaa{}\else\if\@tmpb h\relax

+     \xdef\aaa{@}\else\xdef\aaa{@}\fi\fi

+ \or \if\@tmpb s\relax \xdef\bbb{}\else\if\@tmpb h\relax

+     \xdef\bbb{@}\else\xdef\bbb{@}\fi\fi

+ \or \if\@tmpb s\relax \xdef\ccc{}\else\if\@tmpb h\relax

+     \xdef\ccc{@}\else\xdef\ccc{@}\fi\fi

+\fi\fi}}

+%    \end{macrocode}

+% \end{macro}

+%

+% The |\yltrimethyleneposition| is used to adjust 

+% substitution sites for the command |\@@trimethylene|. 

+%

+% \begin{macro}{\yltrimethyleneposition}

+% \begin{verbatim}

+% \yltrimethylene{ATOMLIST}{BONDLIST}{TERMswitch}{Adjust}

+%

+%    <TERMswitch>

+%      0:  all positions 

+%      1:  positions bbb and ccc 

+%      2:  positions aaa and bbb 

+%

+%       bbb

+%        2

+%     a /  `  b

+%     1      3

+%    aaa     ccc

+%

+%    <Adjust>

+%      a positive or negative integer to adjust locant numbers

+% \end{verbatim}

+%

+%    \begin{macrocode}%

+\def\yltrimethyleneposition#1#2#3#4{%

+\@forsemicol\member:=#1\do{%

+\ifx\member\empty\else

+\expandafter\@m@mb@r\member;\relax%

+\expandafter\twoch@r\@membera{}%

+\@tmpaa=\@tmpa \advance\@tmpaa by#4\relax

+\ifcase\@tmpaa%

+ \or \def\aaa{@}%\def\aaa{\@memberb}%

+ \or \def\bbb{@}%\def\bbb{\@memberb}%

+ \or \def\ccc{@}%\def\ccc{\@memberb}%

+\fi\fi}%

+\@@ylswfalse%%%\@reset@ylsw

+\@forsemicol\member:=#2\do{\expandafter\@m@mb@r\member;\relax%

+\expandafter\threech@r\@membera{}{}%

+\@tmpaa=\@tmpa \advance\@tmpaa by#4\relax

+\ifx\@memberb\@yl\relax\@@ylswtrue\else\@@ylswfalse\fi

+\if@@ylsw

+\ifcase\@tmpaa%0 omit

+\or

+ \ifcase#3

+   \ifx\aaa\empty

+    \gdef\@ylii{0}\gdef\@yli{0}\global\@ylswtrue% subst. on 1

+   \else

+    \if@linterchainsw%interchain position

+     \gdef\@ylii{0}\gdef\@yli{40}\global\@ylswtrue% subst. on 1

+    \else% terminal position

+     \gdef\@ylii{40}\gdef\@yli{-24}\global\@ylswtrue% subst. on 1

+    \fi

+   \fi

+  \or\relax

+  \or

+   \ifx\aaa\empty

+    \gdef\@ylii{0}\gdef\@yli{0}\global\@ylswtrue% subst. on 1

+   \else

+    \if@linterchainsw%interchain position

+     \gdef\@ylii{0}\gdef\@yli{40}\global\@ylswtrue% subst. on 1

+    \else% terminal position

+     \gdef\@ylii{40}\gdef\@yli{-24}\global\@ylswtrue% subst. on 1

+    \fi

+   \fi

+ \fi

+\or

+   \ifx\bbb\empty

+    \gdef\@ylii{-171}\gdef\@yli{-103}\global\@ylswtrue% subst. on 2

+   \else

+    \gdef\@ylii{-171}\gdef\@yli{-133}\global\@ylswtrue% subst. on 2

+   \fi

+\or

+ \ifcase#3

+   \ifx\ccc\empty

+    \gdef\@ylii{-342}\gdef\@yli{0}\global\@ylswtrue% subst. on 3

+   \else

+    \if@rinterchainsw%interchain position

+     \gdef\@ylii{-342}\gdef\@yli{40}\global\@ylswtrue% subst. on 3

+    \else

+     \gdef\@ylii{-382}\gdef\@yli{-24}\global\@ylswtrue% subst. on 3

+    \fi

+   \fi

+ \or

+   \ifx\ccc\empty

+    \gdef\@ylii{-342}\gdef\@yli{0}\global\@ylswtrue% subst. on 3

+   \else

+    \if@rinterchainsw%interchain position

+     \gdef\@ylii{-342}\gdef\@yli{40}\global\@ylswtrue% subst. on 3

+    \else

+     \gdef\@ylii{-382}\gdef\@yli{-24}\global\@ylswtrue% subst. on 3

+    \fi

+   \fi

+ \or\relax

+ \fi

+\fi%end of ifcase

+\fi}}% end of \yltrimethyleneposition

+%    \end{macrocode}

+% \end{macro}

+%

+% The counter |\test@termcnt|, which is equal to 

+% the argument \#3 of command |\@@trimethylene|, 

+% is used for testing a terminal point. 

+%

+% \begin{macro}{\test@termcnt}

+% \changes{v2.00}{1998/12/21}{New command: \cs{test@termcnt}}
+%    \begin{macrocode}

+\newcount\test@termcnt

+%    \end{macrocode}

+% \end{macro}

+%

+% The |\set@hetatom@methyl| is used to set a hetero atom 

+% at each vertex in the command |\@@trimethylene|. 

+%

+% \begin{macro}{\set@hetatom@methyl}

+% \changes{v2.00}{1998/12/20}{New command: \cs{set@hetatom@methyl}}
+%    \begin{macrocode}

+\def\set@hetatom@methyl#1#2#3#4#5{%

+\@forsemicol\member:=#1\do{%

+\ifx\member\empty\else

+\expandafter\@m@mb@r\member;\relax%

+%\expandafter\twoch@r\@membera{}%

+\expandafter\twoCH@R\@membera//%

+\ifnum#5 < 0\relax%

+\@tmpaa=-\@tmpa\relax \advance\@tmpaa by#2\relax%

+\else\@tmpaa=\@tmpa\relax \advance\@tmpaa by#2\relax \fi

+\ifnum\@tmpaa >#3\relax%

+\ifnum\@tmpaa <#4\relax%

+\ifcase\@tmpaa%

+\or%position 1 <--- position 6 of set@hetatom@sixv

+ \ifnum\test@termcnt=1\else%not terminal point (left)

+  \if\@tmpb h\relax%

+     \@acliptrue%

+     \putlatom{0}{30}{\@memberb}%  % right type

+   \else\if\@tmpb s\relax%

+     \@aclipfalse%

+%     \putlatom{-4}{0}{\@memberb}%  % right type

+     \putlatom{0}{0}{\@memberb}%  % right type

+   \else\if\@tmpb a\relax%omit fused position

+   \else

+     \@acliptrue%

+     \putlatom{36}{-23}{\@memberb}% % left type

+   \fi\fi\fi

+  \fi

+\or%position 2 <--- position 1 of set@hetatom@sixv

+  \if\@tmpb h\relax%

+     \@bcliptrue%

+     \putratom{171}{53}{\@memberb}%  % right type

+   \else\if\@tmpb s\relax%

+     \@bclipfalse%

+     \putratom{171}{103}{\@memberb}%  % right type

+   \else\if\@tmpb a\relax%omit fused position

+   \else

+     \@bcliptrue%

+%     \putratom{140}{53}{\@memberb}%  % right type

+     \putratom{140}{65}{\@memberb}%  % right type

+   \fi\fi\fi

+\or%position 3 <--- position 2 of set@hetatom@sixv

+ \ifnum\test@termcnt=2\else%not terminal point (right)

+  \if\@tmpb h\relax

+     \@ccliptrue%

+%     \putratom{320}{30}{\@memberb}%  % right type

+     \putratom{330}{30}{\@memberb}%  % right type

+   \else\if\@tmpb s\relax

+     \@cclipfalse%

+     \putratom{346}{0}{\@memberb}%  % right type

+   \else\if\@tmpb a\relax%omit fused position

+   \else

+     \@ccliptrue%

+     \putratom{306}{-23}{\@memberb}%  % right type

+   \fi\fi\fi

+  \fi

+\fi% end of ifcase

+\fi\fi\fi}}% end of the macro \set@hetatom@methyl

+%    \end{macrocode}

+% \end{macro}

+%

+% The macro |\trimethylene| has two arguments |ATOMLIST| and |SUBSLIST| 

+% as well as an optional argument |BONDLIST|.  

+%

+% \begin{macro}{\trimethylene}

+% \begin{macro}{\@trimethylene}

+%

+% \begin{verbatim}

+%

+%       bbb

+%        2

+%     a /  ` b  (or uppercase letters)

+%      /    `

+%     1      3

+%    aaa    ccc

+% \end{verbatim}

+%

+%

+% \begin{verbatim}

+% \trimethylene[BONDLIST]{ATOMLIST}{SUBSLIST}

+% \end{verbatim}

+%

+% The |BONDLIST| argument contains one character a, A, b, or B

+% each of which indicates the presence of an inner (endcyclic) double 

+% bond on the corresponding position.  A lowercase letter is used 

+% to typeset a double bond at a lower-side of an outer skeletal bond, 

+% while an uppercase letter typesets a double bond at a upper-side of 

+% an outer skeletal bond.  

+% (Note that the option `A' represents an aromatic circle in 

+% commands |\sixheterov| etc.  

+%

+% \begin{verbatim}

+%     BONDLIST = 

+%

+%           [] or none :  no double bond

+%           a          :  1,2-double bond

+%           A          :  1,2-double bond in an opposite side

+%           b          :  2,3-double bond 

+%           B          :  1,2-double bond in an opposite side

+% \end{verbatim}

+%

+% The |ATOMLIST| argument contains one or more heteroatom descriptors 

+% which are separated from each other by a semicolon.  Each heteroatom 

+% descriptor consists of a locant number and a heteroatom, 

+% where these are separated with a double equality symbol. 

+%

+% \begin{verbatim}

+%

+%     ATOMLIST: list of heteroatoms (max 3 atoms)

+%

+%       for n = 1 to 3

+%

+%           n==?    : Hetero atom, e.g. N, O, etc. at n-position, 

+%                        e.g. 1==N for N at 1-position

+% \end{verbatim}

+%

+% The |SUBSLIST| argument contains one or more substitution descriptors 

+% which are separated from each other by a semicolon.  Each substitution 

+% descriptor has a locant number with a bond modifier and a substituent, 

+% where these are separated with a double equality symbol. 

+% \begin{verbatim}

+%

+%     SUBSLIST: list of substituents

+%

+%       for n = 1 to 3 

+%

+%           nD         :  exocyclic double bond at n-atom

+%           n or nS    :  exocyclic single bond at n-atom

+%           nA         :  alpha single bond at n-atom

+%           nB         :  beta single bond at n-atom

+%           nSA        :  alpha single bond at n-atom (boldface)

+%           nSB        :  beta single bond at n-atom (dotted line)

+%           nSa        :  alpha (not specified) single bond at n-atom

+%           nSb        :  beta (not specified) single bond at n-atom

+%           nW         :  terminal single bond (n=1 or 3)

+%

+% \end{verbatim}

+%

+% Several examples are shown as follows.

+% \begin{verbatim}

+%       e.g. 

+%        

+%        \trimethylene{1==N}{1==Cl;2==F}

+%        \trimethylene[b]{1==N}{1==Cl;4==F;2==CH$_{3}$}

+% \end{verbatim}

+%

+% The definition of |\trimethylene| uses a picture environment and 

+% consists of the following unit processes: 

+% \begin{enumerate}

+% \item adjusting substitution site by 

+%       |\yltrimethyleneposition|

+% \item treating atom list, 

+%       placing outer skeletons, inner double bonds, 

+%       setting hetero atoms, and 

+%       placing substituents by |\@@trimethylene|. 

+% \end{enumerate}

+%

+%    \begin{macrocode}

+\def\trimethylene{%

+\@ifnextchar[{\@trimethylene[@}{\@trimethylene[]}}

+\def\@trimethylene[#1]#2#3{%

+\iniflag\iniatom%

+\@reset@ylsw%

+\reset@interchainsw%

+\yltrimethyleneposition{#2}{#3}{0}{0}%

+\if@ylsw

+ \yl@shiftii=\@ylii

+ \yl@shifti=\@yli

+ \advance\yl@shiftii\yl@xdiff

+ \advance\yl@shifti\yl@ydiff

+ \begin{picture}(0,0)(-\yl@shiftii,-\yl@shifti)

+ \reset@yl@xydiff%1999/1/6 by S. Fujita

+\else

+\begin{picture}(450,480)(-50,-180)

+  \iforigpt \put(-50,-180){\circle*{50}}%

+           \put(0,0){\circle{50}}% 

+   \typeout{command `trimethylene' origin: %

+    (0,0) ---> (50,180)}\fi%

+\fi

+\reset@double%

+\@tfor\member:=#1\do{%

+\if\member a\relax 

+\@adoublebondtrue

+\else\if\member b\relax 

+\@bdoublebondtrue

+\else\if\member A\relax 

+\@Adoublebondtrue

+\else\if\member B\relax 

+\@Bdoublebondtrue

+\else

+  \expandafter\twoCH@@R\member//%

+    \set@fusion@trimeth

+\fi\fi\fi\fi}%

+\@wrongbdWatrue

+\@wrongbdWdfalse

+   \put(0,0){\@@trimethylene{#2}{#3}{0}{0}}%

+\end{picture}}% end of \trimethylene \@trimethylene 

+%    \end{macrocode}

+% \end{macro}

+% \end{macro}

+%

+% The inner command |\set@fusion@trimeth| is used for typesetting 

+% a fused ring at each bond represented by |\@@tmpa|.  Warnings 

+% concerning mismatched ring-fusions are based on the command 

+% |\FuseWarning|. 

+%

+% \begin{macro}{\set@fusion@trimeth}

+% \changes{v2.00}{1998/12/21}{New command: \cs{set@fusion@trimeth}}
+%    \begin{macrocode}

+\def\set@fusion@trimeth{%

+% %%%%%%%%%%%%%%%%%%%%%

+% % inner bond fusion %

+% %%%%%%%%%%%%%%%%%%%%%

+\if\@@tmpa a\relax%

+        \putlratom{0}{0}{\@@tmpb}%     % bond fused

+        \FuseWarning{-171}{-103}%

+          {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{a}%

+      \else\if\@@tmpa A\relax%

+        \putlratom{171}{103}{\@@tmpb}%       % bond fused

+        \FuseWarning{171}{103}%

+          {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{A}%

+      \else\if\@@tmpa b\relax%

+        \putlratom{171}{103}{\@@tmpb}%       % bond fused

+        \FuseWarning{-171}{103}%

+          {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{b}%

+      \else\if\@@tmpa B\relax%

+        \putlratom{342}{0}{\@@tmpb}%    % bond fused

+        \FuseWarning{171}{-103}%

+          {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{B}%

+   \fi\fi\fi\fi

+}% end of the macro \set@fusion@trimeth

+%    \end{macrocode}

+% \end{macro}

+%

+% \subsection{Inverse direction}

+%

+% A trimethylene (or propane) and its hetera analogs can be typeset 

+% by the command |\trimethylenei|, which is mainly based on 

+% two inner commands: |\yltrimethyleneiposition| for adjusting a 

+% substitution site and |\@@trimethylenei| for 

+% placing hetero atoms, double bonds, and substituents.

+%

+% \begin{macro}{\@@trimethylenei}

+% \begin{verbatim}

+% \@@trimethylenei{ATOMLIST}{BONDLIST}{TERMswitch}{Adjust}

+%

+%    <TERMswitch>

+%      0:  all positions 

+%      1:  positions bbb and ccc 

+%      2:  positions aaa and bbb 

+%

+%    aaa      ccc

+%     1       3

+%     a `    / b

+%        `  / 

+%        2

+%       bbb

+%

+%    <Adjust>

+%      a positive or negative integer to adjust locant numbers

+% \end{verbatim}

+%

+%    \begin{macrocode}

+\def\@@trimethylenei#1#2#3#4{%

+\leavevmode

+\iniatom\iniflag%initialize

+\test@vrtx@trimethy{#1}{#4}%

+%\test@vertix@sixv{#1}{a}{b}{c}{@}{@}{@}%

+\begin{picture}(450,480)(0,0)

+% %%%%%%%%%%%%%%%%%%

+% % outer skeleton %

+% %%%%%%%%%%%%%%%%%%

+  \put(171,0){\SKbondAi}% bond between 1 and 2

+  \put(171,0){\SKbondBi}% bond between 2 and 3

+% %%%%%%%%%%%%%%%%%%%%%

+% % inner double bond %

+% %%%%%%%%%%%%%%%%%%%%%

+\if@adoublebond\relax\put(171,0){\bondAi}\fi

+\if@bdoublebond\relax\put(171,0){\bondBi}\fi

+\if@Adoublebond\relax\put(171,0){\bondAAi}\fi

+\if@Bdoublebond\relax\put(171,0){\bondBBi}\fi

+% %%%%%%%%%%%%%%%%%%%%%%%%

+% % setting hetero atoms %

+% %%%%%%%%%%%%%%%%%%%%%%%%

+\test@termcnt=#3\relax

+%\set@hetatom@methyli{#1}{0}{0}{4}{0}%

+\set@hetatom@methyli{#1}{#4}{0}{4}{0}%

+% %%%%%%%%%%%%%%%%%%%%%%%%

+% % setting substituents %

+% %%%%%%%%%%%%%%%%%%%%%%%%

+\@forsemicol\member:=#2\do{%

+\ifx\member\empty\else

+\expandafter\@m@mb@r\member;\relax%

+\expandafter\threech@r\@membera{}{}%

+\@tmpaa=\@tmpa \advance\@tmpaa by#4\relax

+\ifx\@memberb\@yl\else

+\ifcase\@tmpaa%0 omit

+\or

+ \ifcase#3

+   \put(0,-303){\@methsubstaL}%

+  \or\relax

+  \or

+   \put(0,-303){\@methsubstaL}%

+ \fi

+\or

+{\if@bclip \@cliptrue \else \@clipfalse\fi

+  \put(171,0){\@methsubstd}}%

+\or

+ \ifcase#3

+  {\if@cclip \@acliptrue\else \@aclipfalse\fi

+  \put(342,-303){\@methsubsta}}%

+ \or

+  {\if@cclip \@acliptrue\else \@aclipfalse\fi

+  \put(342,-303){\@methsubsta}}%

+ \or\relax

+ \fi

+\fi%end of ifcase

+\fi\fi

+}%

+\end{picture}}% end of \@@trimethylenei

+%    \end{macrocode}

+% \end{macro}

+%

+% The |\yltrimethyleneiposition| is used to adjust 

+% substitution sites. 

+%

+% \begin{macro}{\yltrimethyleneiposition}

+% \begin{verbatim}

+% \yltrimethylenei{ATOMLIST}{BONDLIST}{TERMswitch}{Adjust}

+%

+%    <TERMswitch>

+%      0:  all positions 

+%      1:  positions bbb and ccc 

+%      2:  positions aaa and bbb 

+%

+%    aaa      ccc

+%     1       3

+%     a `    / b

+%        `  / 

+%        2

+%       bbb

+%

+%    <Adjust>

+%      a positive or negative integer to adjust locant numbers

+% \end{verbatim}

+%

+%    \begin{macrocode}%

+\def\yltrimethyleneiposition#1#2#3#4{%

+\@forsemicol\member:=#1\do{%

+\ifx\member\empty\else

+\expandafter\@m@mb@r\member;\relax%

+%\expandafter\twoch@r\@membera{}%

+\expandafter\twoCH@R\@membera//%

+\@tmpaa=\@tmpa \advance\@tmpaa by#4\relax

+\ifcase\@tmpaa%

+ \or \def\aaa{@}%\def\aaa{\@memberb}%

+ \or \def\bbb{@}%\def\bbb{\@memberb}%

+ \or \def\ccc{@}%\def\ccc{\@memberb}%

+\fi%

+\fi}%

+\@@ylswfalse%%%\@reset@ylsw

+\@forsemicol\member:=#2\do{\expandafter\@m@mb@r\member;\relax%

+\expandafter\threech@r\@membera{}{}%

+\@tmpaa=\@tmpa \advance\@tmpaa by#4\relax

+\ifx\@memberb\@yl\relax\@@ylswtrue\else\@@ylswfalse\fi

+\if@@ylsw

+\ifcase\@tmpaa%0 omit

+\or%%%%%%position 1

+ \ifcase#3

+   \ifx\aaa\empty

+%%    \gdef\@ylii{0}\gdef\@yli{0}\global\@ylswtrue% subst. on 1

+    \gdef\@ylii{0}\gdef\@yli{-103}\global\@ylswtrue% subst. on 1

+   \else

+    \if@linterchainsw%interchain position

+%     \gdef\@ylii{0}\gdef\@yli{40}\global\@ylswtrue% subst. on 1

+     \gdef\@ylii{0}\gdef\@yli{-133}\global\@ylswtrue% subst. on 1

+    \else% terminal position

+%%     \gdef\@ylii{40}\gdef\@yli{-24}\global\@ylswtrue% subst. on 1

+     \gdef\@ylii{40}\gdef\@yli{-79}\global\@ylswtrue% subst. on 1

+    \fi

+   \fi

+  \or\relax

+  \or

+   \ifx\aaa\empty

+%%    \gdef\@ylii{0}\gdef\@yli{0}\global\@ylswtrue% subst. on 1

+    \gdef\@ylii{0}\gdef\@yli{-103}\global\@ylswtrue% subst. on 1

+   \else

+    \if@linterchainsw%interchain position

+     \gdef\@ylii{0}\gdef\@yli{-133}\global\@ylswtrue% subst. on 1

+%     \gdef\@ylii{0}\gdef\@yli{40}\global\@ylswtrue% subst. on 1

+    \else% terminal position

+%%     \gdef\@ylii{40}\gdef\@yli{-24}\global\@ylswtrue% subst. on 1

+     \gdef\@ylii{40}\gdef\@yli{-79}\global\@ylswtrue% subst. on 1

+    \fi

+   \fi

+ \fi

+\or%%%%%%%%position 2

+   \ifx\bbb\empty

+%%    \gdef\@ylii{-171}\gdef\@yli{-103}\global\@ylswtrue% subst. on 2

+    \gdef\@ylii{-171}\gdef\@yli{0}\global\@ylswtrue% subst. on 2

+   \else

+%%    \gdef\@ylii{-171}\gdef\@yli{-133}\global\@ylswtrue% subst. on 2

+    \gdef\@ylii{-171}\gdef\@yli{50}\global\@ylswtrue% subst. on 2

+   \fi

+\or%%%%%%%%position 3

+ \ifcase#3

+   \ifx\ccc\empty

+%%    \gdef\@ylii{-342}\gdef\@yli{0}\global\@ylswtrue% subst. on 3

+    \gdef\@ylii{-342}\gdef\@yli{-103}\global\@ylswtrue% subst. on 3

+   \else

+    \if@rinterchainsw%interchain position

+%%     \gdef\@ylii{-342}\gdef\@yli{40}\global\@ylswtrue% subst. on 3

+     \gdef\@ylii{-342}\gdef\@yli{-133}\global\@ylswtrue% subst. on 3

+    \else

+%%     \gdef\@ylii{-382}\gdef\@yli{-24}\global\@ylswtrue% subst. on 3

+     \gdef\@ylii{-382}\gdef\@yli{-79}\global\@ylswtrue% subst. on 3

+    \fi

+   \fi

+ \or

+   \ifx\ccc\empty

+%    \gdef\@ylii{-342}\gdef\@yli{0}\global\@ylswtrue% subst. on 3

+    \gdef\@ylii{-342}\gdef\@yli{-103}\global\@ylswtrue% subst. on 3

+   \else

+    \if@rinterchainsw%interchain position

+%     \gdef\@ylii{-342}\gdef\@yli{40}\global\@ylswtrue% subst. on 3

+     \gdef\@ylii{-342}\gdef\@yli{-133}\global\@ylswtrue% subst. on 3

+    \else

+%     \gdef\@ylii{-382}\gdef\@yli{-24}\global\@ylswtrue% subst. on 3

+     \gdef\@ylii{-382}\gdef\@yli{-79}\global\@ylswtrue% subst. on 3

+    \fi

+   \fi

+ \or\relax

+ \fi

+\fi%end of ifcase

+\fi}}% end of \yltrimethyleneiposition

+%    \end{macrocode}

+% \end{macro}

+%

+% The |\set@hetatom@methyli| is used to set a hetero atom 

+% at each vertex in the command |\@@trimethylenei|. 

+%

+% \begin{macro}{\set@hetatom@methyli}

+% \changes{v2.00}{1998/12/20}{New command: \cs{set@hetatom@methyli}}
+%    \begin{macrocode}

+\def\set@hetatom@methyli#1#2#3#4#5{%

+\@forsemicol\member:=#1\do{%

+\ifx\member\empty\else

+\expandafter\@m@mb@r\member;\relax%

+\expandafter\twoch@r\@membera{}%

+\ifnum#5 < 0\relax%

+\@tmpaa=-\@tmpa\relax \advance\@tmpaa by#2\relax%

+\else\@tmpaa=\@tmpa\relax \advance\@tmpaa by#2\relax \fi

+\ifnum\@tmpaa >#3\relax%

+\ifnum\@tmpaa <#4\relax%

+\ifcase\@tmpaa%

+\or%position 1 <-- \set@hetatom@sixv position 5

+ \ifnum\test@termcnt=1\else%not terminal point (left)

+  \if\@tmpb h\relax

+     \@acliptrue%

+     \putlatom{0}{70}{\@memberb}%  % right type

+   \else\if\@tmpb s\relax

+     \@aclipfalse%

+     \putlatom{0}{103}{\@memberb}%  % right type

+   \else\if\@tmpb a\relax%omit fused position

+   \else

+     \@acliptrue%

+     \putlatom{36}{65}{\@memberb}%  % left type

+   \fi\fi\fi

+ \fi

+\or%position 2 <-- \set@hetatom@sixv position 4

+  \if\@tmpb h\relax

+     \@bcliptrue%

+     \putratom{171}{50}{\@memberb}%  % right type

+   \else\if\@tmpb s\relax

+     \@bclipfalse%

+     \putratom{171}{0}{\@memberb}%  % right type

+   \else\if\@tmpb a\relax%omit fused position

+   \else

+     \@bcliptrue%

+%     \putratom{140}{-10}{\@memberb}%  % right type

+     \putratom{140}{-23}{\@memberb}%  % right type

+   \fi\fi\fi

+\or%position 3 <-- \set@hetatom@sixv position 3

+ \ifnum\test@termcnt=2\else%not terminal point (right)

+  \if\@tmpb h\relax

+     \@ccliptrue%

+     \putratom{342}{70}{\@memberb}%  % right type

+   \else\if\@tmpb s\relax

+     \@cclipfalse%

+     \putratom{342}{103}{\@memberb}%  % right type

+   \else\if\@tmpb a\relax%omit fused position

+   \else

+     \@ccliptrue%

+     \putratom{306}{65}{\@memberb}%   % right type

+   \fi\fi\fi

+  \fi

+\fi% end of ifcase

+\fi\fi\fi}}% end of the macro \set@hetatom@methyli

+%    \end{macrocode}

+% \end{macro}

+%

+% The macro |\trimethylenei| has two arguments |ATOMLIST| and |SUBSLIST| 

+% as well as an optional argument |BONDLIST|.  

+%

+% \begin{macro}{\trimethylenei}

+% \begin{macro}{\@trimethylenei}

+%

+% \begin{verbatim}

+%    aaa      ccc

+%     1       3

+%     a `    / b (or uppercase letters)

+%        `  / 

+%        2

+%       bbb

+% \end{verbatim}

+%

+%

+% \begin{verbatim}

+% \trimethylenei[BONDLIST]{ATOMLIST}{SUBSLIST}

+% \end{verbatim}

+%

+% The |BONDLIST| argument contains one character a, A, b, or B

+% each of which indicates the presence of an inner (endcyclic) double 

+% bond on the corresponding position.  A lowercase letter is used 

+% to typeset a double bond at a upper-side of an outer skeletal bond, 

+% while a uppercase letter typesets a double bond at a lower-side of 

+% an outer skeletal bond.  

+% (Note that the option `A' represents an aromatic circle in 

+% commands |\sixheterov| etc.  

+%

+% \begin{verbatim}

+%     BONDLIST = 

+%

+%           [] or none :  no double bond

+%           a          :  1,2-double bond

+%           A          :  1,2-double bond in an opposite side

+%           b          :  2,3-double bond 

+%           B          :  1,2-double bond in an opposite side

+% \end{verbatim}

+%

+% The |ATOMLIST| argument contains one or more heteroatom descriptors 

+% which are separated from each other by a semicolon.  Each heteroatom 

+% descriptor consists of a locant number and a heteroatom, 

+% where these are separated with a double equality symbol. 

+%

+% \begin{verbatim}

+%

+%     ATOMLIST: list of heteroatoms (max 3 atoms)

+%

+%       for n = 1 to 3

+%

+%           n==?    : Hetero atom, e.g. N, O, etc. at n-position, 

+%                        e.g. 1==N for N at 1-position

+% \end{verbatim}

+%

+% The |SUBSLIST| argument contains one or more substitution descriptors 

+% which are separated from each other by a semicolon.  Each substitution 

+% descriptor has a locant number with a bond modifier and a substituent, 

+% where these are separated with a double equality symbol. 

+% \begin{verbatim}

+%

+%     SUBSLIST: list of substituents

+%

+%       for n = 1 to 3 

+%

+%           nD         :  exocyclic double bond at n-atom

+%           n or nS    :  exocyclic single bond at n-atom

+%           nA         :  alpha single bond at n-atom

+%           nB         :  beta single bond at n-atom

+%           nSA        :  alpha single bond at n-atom (boldface)

+%           nSB        :  beta single bond at n-atom (dotted line)

+%           nSa        :  alpha (not specified) single bond at n-atom

+%           nSb        :  beta (not specified) single bond at n-atom

+%           nW         :  terminal single bond (n=1 or 3)

+%

+% \end{verbatim}

+%

+% Several examples are shown as follows.

+% \begin{verbatim}

+%       e.g. 

+%        

+%        \trimethylenei{1==N}{1==Cl;2==F}

+%        \trimethylenei[b]{1==N}{1==Cl;4==F;2==CH$_{3}$}

+% \end{verbatim}

+%

+% The definition of |\trimethylene| uses a picture environment and 

+% consists of the following unit processes: 

+% \begin{enumerate}

+% \item adjusting substitution site by 

+%       |\yltrimethyleneiposition|

+% \item treating atom list, 

+%       placing outer skeletons, inner double bonds, 

+%       setting hetero atoms, and 

+%       placing substituents by |\@@trimethylenei|. 

+% \end{enumerate}

+%

+%    \begin{macrocode}

+\def\trimethylenei{%

+\@ifnextchar[{\@trimethylenei[@}{\@trimethylenei[]}}

+\def\@trimethylenei[#1]#2#3{%

+\iniflag\iniatom%

+\@reset@ylsw%

+\reset@interchainsw%

+\yltrimethyleneiposition{#2}{#3}{0}{0}%

+\if@ylsw

+ \yl@shiftii=\@ylii

+ \yl@shifti=\@yli

+ \advance\yl@shiftii\yl@xdiff

+ \advance\yl@shifti\yl@ydiff

+ \begin{picture}(0,0)(-\yl@shiftii,-\yl@shifti)

+ \reset@yl@xydiff%1999/1/6 by S. Fujita

+\else

+\begin{picture}(450,480)(-50,-180)

+  \iforigpt \put(-50,-180){\circle*{50}}%

+           \put(0,0){\circle{50}}% 

+   \typeout{command `trimethylene' origin: %

+    (0,0) ---> (50,180)}\fi%

+\fi

+\reset@double%

+%\@adoublebondfalse

+%\@bdoublebondfalse

+%\@Adoublebondfalse

+%\@Bdoublebondfalse

+\@tfor\member:=#1\do{%

+\if\member a\relax 

+\@adoublebondtrue

+\else\if\member b\relax 

+\@bdoublebondtrue

+\else\if\member A\relax 

+\@Adoublebondtrue

+\else\if\member B\relax 

+\@Bdoublebondtrue

+\else

+  \expandafter\twoCH@@R\member//%

+    \set@fusion@trimethi

+\fi\fi\fi\fi}%

+\@wrongbdWafalse

+\@wrongbdWdtrue

+   \put(0,0){\@@trimethylenei{#2}{#3}{0}{0}}%

+\end{picture}}% end of \trimethylenei

+%    \end{macrocode}

+% \end{macro}

+% \end{macro}

+%

+% The inner command |\set@fusion@trimethi| is used for typesetting 

+% a fused ring at each bond represented by |\@@tmpa|.  Warnings 

+% concerning mismatched ring-fusions are based on the command 

+% |\FuseWarning|. 

+%

+% \begin{macro}{\set@fusion@trimethi}

+% \changes{v2.00}{1998/12/21}{New command: \cs{set@fusion@trimethi}}
+%    \begin{macrocode}

+\def\set@fusion@trimethi{%

+% %%%%%%%%%%%%%%%%%%%%%

+% % inner bond fusion %

+% %%%%%%%%%%%%%%%%%%%%%

+\if\@@tmpa a\relax%

+        \putlratom{0}{103}{\@@tmpb}%     % bond fused

+        \FuseWarning{-171}{103}%

+          {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{a}%

+      \else\if\@@tmpa A\relax%

+        \putlratom{171}{0}{\@@tmpb}%       % bond fused

+        \FuseWarning{171}{-103}%

+          {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{A}%

+      \else\if\@@tmpa b\relax%

+        \putlratom{171}{0}{\@@tmpb}%       % bond fused

+        \FuseWarning{-171}{-103}%

+          {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{b}%

+      \else\if\@@tmpa B\relax%

+        \putlratom{342}{103}{\@@tmpb}%    % bond fused

+        \FuseWarning{171}{103}%

+          {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{B}%

+   \fi\fi\fi\fi

+}% end of the macro \set@fusion@trimethi

+%    \end{macrocode}

+% \end{macro}

+%

+% \section{Dimethylene}

+% \subsection{Normal direction}

+%

+% A dimethylene (or ethane) and its hetera analogs can be typeset 

+% by the command |\dimethylene|, which is mainly based on 

+% two inner commands: |\yldimethyleneposition| for adjusting a 

+% substitution site and |\@@dimethylene| for 

+% placing hetero atoms, double bonds, and substituents.

+%

+% \begin{macro}{\@@dimethylene}

+% \begin{verbatim}

+% \@@dimethylene{ATOMLIST}{BONDLIST}{TERMswitch}{Adjust}

+%

+%    <TERMswitch>

+%      0:  all positions 

+%      1:  position bbb 

+%      2:  position aaa

+%

+%       bbb

+%        2

+%     a /

+%     1

+%    aaa

+%

+%    <Adjust>

+%      a positive or negative integer to adjust locant numbers

+% \end{verbatim}

+%

+%    \begin{macrocode}

+\def\@@dimethylene#1#2#3#4{%

+\leavevmode

+\iniatom\iniflag%initialize

+\test@vrtx@dimethy{#1}{#4}%

+%\test@vertix@sixv{#1}{a}{b}{@}{@}{@}{@}%

+\begin{picture}(250,480)(0,0)

+% %%%%%%%%%%%%%%%%%%

+% % outer skeleton %

+% %%%%%%%%%%%%%%%%%%

+  \put(171,-303){\SKbondA}% bond between 1 and 2

+% %%%%%%%%%%%%%%%%%%%%%

+% % inner double bond %

+% %%%%%%%%%%%%%%%%%%%%%

+\if@adoublebond

+ \put(171,-303){\bondA}%upper side double bond

+\else\if@Adoublebond

+ \put(171,-303){\bondAA}%lower side double bond

+\fi\fi%

+% %%%%%%%%%%%%%%%%%%%%%%%%

+% % setting hetero atoms %

+% %%%%%%%%%%%%%%%%%%%%%%%%

+\test@termcnt=#3\relax

+%\set@hetatom@methyl{#1}{0}{0}{3}{0}%

+\set@hetatom@methyl{#1}{#4}{0}{3}{0}%

+% %%%%%%%%%%%%%%%%%%%%%%%%

+% % setting substituents %

+% %%%%%%%%%%%%%%%%%%%%%%%%

+\@forsemicol\member:=#2\do{%

+\ifx\member\empty\else

+\expandafter\@m@mb@r\member;\relax%

+\expandafter\threech@r\@membera{}{}%

+\@tmpaa=\@tmpa \advance\@tmpaa by#4\relax

+\ifx\@memberb\@yl\else

+\ifcase\@tmpaa%0 omit

+\or

+ \ifcase#3

+   {\if@aclip \@cliptrue \else \@clipfalse\fi

+   \put(0,0){\@methsubstdL}}%

+  \or\relax

+  \or

+   {\if@aclip \@cliptrue \else \@clipfalse\fi

+   \put(0,0){\@methsubstdL}}%

+ \fi

+\or

+ \ifcase#3

+  {\if@bclip \@acliptrue \else \@aclipfalse\fi

+   \put(171,-303){\@methsubsta}}

+ \or

+  {\if@bclip \@acliptrue \else \@aclipfalse\fi

+   \put(171,-303){\@methsubsta}}

+ \or\relax

+ \fi

+\fi%end of ifcase

+\fi\fi%

+}%

+\end{picture}}% end of \@@dimethylene

+%    \end{macrocode}

+% \end{macro}

+%

+% \begin{macro}{\test@vrtx@dimethy}

+% \changes{v2.00}{1998/12/21}{New command: \cs{test@vrtx@dimethy}}
+%    \begin{macrocode}

+\def\test@vrtx@dimethy#1#2{%

+\@forsemicol\member:=#1\do{%

+\ifx\member\empty\else

+\expandafter\@m@mb@r\member;\relax%

+\expandafter\twoch@r\@membera{}%

+\@tmpaa=\@tmpa \advance\@tmpaa by#2\relax

+\ifcase\@tmpaa%

+ \or \if\@tmpb s\relax \xdef\aaa{}\else\if\@tmpb h\relax

+     \xdef\aaa{@}\else\xdef\aaa{@}\fi\fi

+ \or \if\@tmpb s\relax \xdef\bbb{}\else\if\@tmpb h\relax

+     \xdef\bbb{@}\else\xdef\bbb{@}\fi\fi

+\fi\fi}}

+%    \end{macrocode}

+% \end{macro}

+%

+% The |\yldimethyleneposition| is used to adjust 

+% substitution sites. 

+%

+% \begin{macro}{\yldimethyleneposition}

+% \begin{verbatim}

+% \yldimethylene{ATOMLIST}{BONDLIST}{TERMswitch}{Adjust}

+%

+%    <TERMswitch>

+%      0:  all positions 

+%      1:  position bbb

+%      2:  position aaa

+%

+%       bbb

+%        2

+%     a /

+%     1 

+%    aaa

+%

+%    <Adjust>

+%      a positive or negative integer to adjust locant numbers

+% \end{verbatim}

+%

+%    \begin{macrocode}%

+\def\yldimethyleneposition#1#2#3#4{%

+\@forsemicol\member:=#1\do{%

+\ifx\member\empty\else

+\expandafter\@m@mb@r\member;\relax%

+\expandafter\twoch@r\@membera{}%

+\@tmpaa=\@tmpa \advance\@tmpaa by#4\relax

+\ifcase\@tmpaa%

+ \or \def\aaa{\@memberb}%

+ \or \def\bbb{\@memberb}%

+\fi\fi}%

+\@@ylswfalse%%%\@reset@ylsw

+\@forsemicol\member:=#2\do{%

+\ifx\member\empty\else

+\expandafter\@m@mb@r\member;\relax%

+\expandafter\threech@r\@membera{}{}%

+\@tmpaa=\@tmpa \advance\@tmpaa by#4\relax

+\ifx\@memberb\@yl\relax\@@ylswtrue\else\@@ylswfalse\fi

+\if@@ylsw

+\ifcase\@tmpaa%0 omit

+\or

+ \ifcase#3

+   \ifx\aaa\empty

+%    \gdef\@ylii{0}\gdef\@yli{0}\global\@ylswtrue% subst. on 1

+    \gdef\@ylii{0}\gdef\@yli{0}\global\@ylswtrue% subst. on 1

+   \else

+    \if@linterchainsw%interchain position

+     \gdef\@ylii{0}\gdef\@yli{40}\global\@ylswtrue% subst. on 1

+    \else%terminal position

+     \gdef\@ylii{40}\gdef\@yli{-24}\global\@ylswtrue% subst. on 1

+    \fi

+   \fi

+  \or\relax

+  \or

+   \ifx\aaa\empty

+    \gdef\@ylii{0}\gdef\@yli{0}\global\@ylswtrue% subst. on 1

+   \else

+    \if@linterchainsw%interchain position

+     \gdef\@ylii{0}\gdef\@yli{40}\global\@ylswtrue% subst. on 1

+    \else%terminal position

+     \gdef\@ylii{40}\gdef\@yli{-24}\global\@ylswtrue% subst. on 1

+    \fi

+   \fi

+ \fi

+\or

+ \ifcase#3 

+   \ifx\bbb\empty

+    \gdef\@ylii{-171}\gdef\@yli{-103}\global\@ylswtrue% subst. on 2

+   \else

+    \if@rinterchainsw%interchain position

+     \gdef\@ylii{-171}\gdef\@yli{-133}\global\@ylswtrue% subst. on 2

+    \else%terminal position

+     \gdef\@ylii{-211}\gdef\@yli{-93}\global\@ylswtrue% subst. on 2

+    \fi

+   \fi

+  \or

+   \ifx\bbb\empty

+    \gdef\@ylii{-171}\gdef\@yli{-103}\global\@ylswtrue% subst. on 2

+   \else

+    \if@rinterchainsw%interchain position

+     \gdef\@ylii{-171}\gdef\@yli{-133}\global\@ylswtrue% subst. on 2

+    \else%terminal position

+     \gdef\@ylii{-211}\gdef\@yli{-93}\global\@ylswtrue% subst. on 2

+    \fi

+   \fi

+  \or \relax

+  \fi

+\fi%end of ifcase

+\fi\fi}}% end of \yldimethyleneposition

+%    \end{macrocode}

+% \end{macro}

+%

+% The macro |\dimethylene| has two arguments |ATOMLIST| and |SUBSLIST| 

+% as well as an optional argument |BONDLIST|.  

+%

+% \begin{macro}{\dimethylene}

+% \begin{macro}{\@dimethylene}

+% \begin{verbatim}

+%

+%       bbb

+%        2

+%     a /      (or uppercase letters)

+%      /

+%     1

+%    aaa 

+% \end{verbatim}

+%

+%

+% \begin{verbatim}

+% \dimethylene[BONDLIST]{ATOMLIST}{SUBSLIST}

+% \end{verbatim}

+%

+% The |BONDLIST| argument contains one character a or A, 

+% each of which indicates the presence of an inner (endcyclic) double 

+% bond on the corresponding position.  A lowercase letter is used 

+% to typeset a double bond at a lower-side of an outer skeletal bond, 

+% while an uppercase letter typesets a double bond at a upper-side of 

+% an outer skeletal bond.  

+% (Note that the option `A' represents an aromatic circle in 

+% commands |\sixheterov| etc. ) 

+%

+% \begin{verbatim}

+%     BONDLIST = 

+%

+%           [] or none :  no double bond

+%           a          :  1,2-double bond

+%           A          :  1,2-double bond in an opposite side

+% \end{verbatim}

+%

+% The |ATOMLIST| argument contains one or more heteroatom descriptors 

+% which are separated from each other by a semicolon.  Each heteroatom 

+% descriptor consists of a locant number and a heteroatom, 

+% where these are separated with a double equality symbol. 

+%

+% \begin{verbatim}

+%

+%     ATOMLIST: list of heteroatoms (max 2 atoms)

+%

+%       for n = 1 and 2

+%

+%           n==?    : Hetero atom, e.g. N, O, etc. at n-position, 

+%                        e.g. 1==N for N at 1-position

+% \end{verbatim}

+%

+% The |SUBSLIST| argument contains one or more substitution descriptors 

+% which are separated from each other by a semicolon.  Each substitution 

+% descriptor has a locant number with a bond modifier and a substituent, 

+% where these are separated with a double equality symbol. 

+% \begin{verbatim}

+%

+%     SUBSLIST: list of substituents

+%

+%       for n = 1 and 2

+%

+%           nD         :  exocyclic double bond at n-atom

+%           n or nS    :  exocyclic single bond at n-atom

+%           nA         :  alpha single bond at n-atom

+%           nB         :  beta single bond at n-atom

+%           nSA        :  alpha single bond at n-atom (boldface)

+%           nSB        :  beta single bond at n-atom (dotted line)

+%           nSa        :  alpha (not specified) single bond at n-atom

+%           nSb        :  beta (not specified) single bond at n-atom

+%           nW         :  terminal single bond (n=1 or 2)

+%

+% \end{verbatim}

+%

+% Several examples are shown as follows.

+% \begin{verbatim}

+%       e.g. 

+%        

+%        \dimethylene{1==N}{1==Cl;2==F}

+%        \dimethylene[a]{1==N}{1==Cl;4==F;2==CH$_{3}$}

+% \end{verbatim}

+%

+% The definition of |\dimethylene| uses a picture environment and 

+% consists of the following unit processes: 

+% \begin{enumerate}

+% \item adjusting substitution site by 

+%       |\yldimethyleneposition|

+% \item treating atom list, 

+%       placing outer skeletons, inner double bonds, 

+%       setting hetero atoms, and 

+%       placing substituents by |\@@dimethylene|. 

+% \end{enumerate}

+%

+%    \begin{macrocode}

+\def\dimethylene{%

+\@ifnextchar[{\@dimethylene[@}{\@dimethylene[]}}

+\def\@dimethylene[#1]#2#3{%

+\iniflag\iniatom%

+\@reset@ylsw%

+\reset@interchainsw%

+\yldimethyleneposition{#2}{#3}{0}{0}%

+\if@ylsw

+ \yl@shiftii=\@ylii

+ \yl@shifti=\@yli

+ \advance\yl@shiftii\yl@xdiff

+ \advance\yl@shifti\yl@ydiff

+ \begin{picture}(0,0)(-\yl@shiftii,-\yl@shifti)

+ \reset@yl@xydiff%1999/1/6 by S. Fujita

+\else

+\begin{picture}(250,480)(-50,-180)

+  \iforigpt \put(-50,-180){\circle*{50}}%

+           \put(0,0){\circle{50}}% 

+   \typeout{command `dimethylene' origin: %

+    (0,0) ---> (50,180)}\fi%

+\fi

+\reset@double%

+\@tfor\member:=#1\do{%

+\if\member a\relax 

+\@adoublebondtrue

+\else\if\member A\relax 

+\@Adoublebondtrue

+\else

+  \expandafter\twoCH@@R\member//%

+    \set@fusion@dimeth

+\fi\fi}%

+\@wrongbdWafalse

+\@wrongbdWdfalse

+   \put(0,0){\@@dimethylene{#2}{#3}{0}{0}}%

+\end{picture}}% end of \dimethylene

+%    \end{macrocode}

+% \end{macro}

+% \end{macro}

+%

+% The inner command |\set@fusion@dimeth| is used for typesetting 

+% a fused ring at each bond represented by |\@@tmpa|.  Warnings 

+% concerning mismatched ring-fusions are based on the command 

+% |\FuseWarning|. 

+%

+% \begin{macro}{\set@fusion@dimeth}

+% \changes{v2.00}{1998/12/21}{New command: \cs{set@fusion@dimeth}}
+%    \begin{macrocode}

+\def\set@fusion@dimeth{%

+% %%%%%%%%%%%%%%%%%%%%%

+% % inner bond fusion %

+% %%%%%%%%%%%%%%%%%%%%%

+\if\@@tmpa a\relax%

+        \putlratom{0}{0}{\@@tmpb}%     % bond fused

+        \FuseWarning{-171}{-103}%

+          {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{a}%

+ \else\if\@@tmpa A\relax%

+        \putlratom{171}{103}{\@@tmpb}%       % bond fused

+        \FuseWarning{171}{103}%

+          {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{A}%

+ \fi\fi

+}% end of the macro \set@fusion@dimeth

+%    \end{macrocode}

+% \end{macro}

+%

+% \subsection{Inverse direction}

+%

+% A dimethylene (or ethane) and its hetera analogs (of inverse direction) 

+% can be typeset by the command |\dimethylenei|, which is mainly based on 

+% two inner commands: |\yldimethyleneiposition| for adjusting a 

+% substitution site and |\@@dimethylenei| for 

+% placing hetero atoms, double bonds, and substituents.

+%

+% \begin{macro}{\@@dimethylenei}

+% \begin{verbatim}

+% \@@dimethylenei{ATOMLIST}{BONDLIST}{TERMswitch}{Adjust}

+%

+%    <TERMswitch>

+%      0:  all positions 

+%      1:  position bbb  

+%      2:  positions aaa

+%

+%    aaa

+%     1

+%     a `

+%        `

+%          2

+%         bbb

+%

+%    <Adjust>

+%      a positive or negative integer to adjust locant numbers

+% \end{verbatim}

+%

+%    \begin{macrocode}

+\def\@@dimethylenei#1#2#3#4{%

+\leavevmode

+\iniatom\iniflag%initialize

+\test@vrtx@dimethy{#1}{#4}%

+%\test@vertix@sixv{#1}{a}{b}{@}{@}{@}{@}%

+\begin{picture}(250,480)(0,0)

+% %%%%%%%%%%%%%%%%%%

+% % outer skeleton %

+% %%%%%%%%%%%%%%%%%%

+  \put(171,0){\SKbondAi}% bond between 1 and 2

+% %%%%%%%%%%%%%%%%%%%%%

+% % inner double bond %

+% %%%%%%%%%%%%%%%%%%%%%

+\if@adoublebond

+ \put(171,0){\bondAi}%upper side double bond

+\else\if@Adoublebond

+ \put(171,0){\bondAAi}%lower side double bond

+\fi\fi%

+% %%%%%%%%%%%%%%%%%%%%%%%%

+% % setting hetero atoms %

+% %%%%%%%%%%%%%%%%%%%%%%%%

+\test@termcnt=#3\relax

+%\set@hetatom@methyli{#1}{0}{0}{3}{0}%

+\set@hetatom@methyli{#1}{#4}{0}{3}{0}%

+% %%%%%%%%%%%%%%%%%%%%%%%%

+% % setting substituents %

+% %%%%%%%%%%%%%%%%%%%%%%%%

+\@forsemicol\member:=#2\do{%

+\ifx\member\empty\else

+\expandafter\@m@mb@r\member;\relax%

+\expandafter\threech@r\@membera{}{}%

+\@tmpaa=\@tmpa \advance\@tmpaa by#4\relax

+\ifx\@memberb\@yl\else

+\ifcase\@tmpaa%0 omit

+\or

+ \ifcase#3

+   \put(0,-303){\@methsubstaL}%

+  \or\relax

+  \or

+   \put(0,-303){\@methsubstaL}%

+ \fi

+\or

+ \ifcase#3

+  {\if@bclip \@cliptrue \else \@clipfalse\fi

+   \put(171,0){\@methsubstd}}

+ \or

+  {\if@bclip \@cliptrue \else \@clipfalse\fi

+   \put(171,0){\@methsubstd}}

+ \or\relax

+ \fi

+\fi%end of ifcase

+\fi\fi%

+}%

+\end{picture}}% end of \@@dimethylenei

+%    \end{macrocode}

+% \end{macro}

+%

+% The |\yldimethyleneiposition| is used to adjust 

+% substitution sites. 

+%

+% \begin{macro}{\yldimethyleneiposition}

+% \begin{verbatim}

+% \yldimethylenei{ATOMLIST}{BONDLIST}{TERMswitch}{Adjust}

+%

+%    <TERMswitch>

+%      0:  all positions 

+%      1:  position bbb

+%      2:  position aaa

+%

+%    aaa

+%     1

+%     a `

+%        `

+%          2

+%         bbb

+%

+%    <Adjust>

+%      a positive or negative integer to adjust locant numbers

+% \end{verbatim}

+%

+%    \begin{macrocode}%

+\def\yldimethyleneiposition#1#2#3#4{%

+\@forsemicol\member:=#1\do{%

+\ifx\member\empty\else

+\expandafter\@m@mb@r\member;\relax%

+\expandafter\twoch@r\@membera{}%

+\@tmpaa=\@tmpa \advance\@tmpaa by#4\relax

+\ifcase\@tmpaa%

+ \or \def\aaa{\@memberb}%

+ \or \def\bbb{\@memberb}%

+\fi\fi}%

+\@@ylswfalse%%%\@reset@ylsw

+\@forsemicol\member:=#2\do{\expandafter\@m@mb@r\member;\relax%

+\expandafter\threech@r\@membera{}{}%

+\@tmpaa=\@tmpa \advance\@tmpaa by#4\relax

+\ifx\@memberb\@yl\relax\@@ylswtrue\else\@@ylswfalse\fi

+\if@@ylsw

+\ifcase\@tmpaa%0 omit

+\or%%%%%%%%position 1

+ \ifcase#3

+   \ifx\aaa\empty

+%    \gdef\@ylii{0}\gdef\@yli{0}\global\@ylswtrue% subst. on 1

+    \gdef\@ylii{0}\gdef\@yli{-103}\global\@ylswtrue% subst. on 1

+   \else

+    \if@linterchainsw%interchain position

+%     \gdef\@ylii{0}\gdef\@yli{40}\global\@ylswtrue% subst. on 1

+     \gdef\@ylii{0}\gdef\@yli{-133}\global\@ylswtrue% subst. on 1

+    \else%terminal position

+%     \gdef\@ylii{40}\gdef\@yli{-24}\global\@ylswtrue% subst. on 1

+     \gdef\@ylii{40}\gdef\@yli{-79}\global\@ylswtrue% subst. on 1

+    \fi

+   \fi

+  \or\relax

+  \or

+   \ifx\aaa\empty

+%    \gdef\@ylii{0}\gdef\@yli{0}\global\@ylswtrue% subst. on 1

+    \gdef\@ylii{0}\gdef\@yli{-103}\global\@ylswtrue% subst. on 1

+   \else

+    \if@linterchainsw%interchain position

+%     \gdef\@ylii{0}\gdef\@yli{40}\global\@ylswtrue% subst. on 1

+     \gdef\@ylii{0}\gdef\@yli{-133}\global\@ylswtrue% subst. on 1

+    \else%terminal position

+%     \gdef\@ylii{40}\gdef\@yli{-24}\global\@ylswtrue% subst. on 1

+     \gdef\@ylii{40}\gdef\@yli{-79}\global\@ylswtrue% subst. on 1

+    \fi

+   \fi

+ \fi

+\or%%%%%%%%position 2

+ \ifcase#3 

+   \ifx\bbb\empty

+%    \gdef\@ylii{-171}\gdef\@yli{-103}\global\@ylswtrue% subst. on 2

+    \gdef\@ylii{-171}\gdef\@yli{0}\global\@ylswtrue% subst. on 2

+   \else

+    \if@rinterchainsw%interchain position

+%     \gdef\@ylii{-171}\gdef\@yli{-133}\global\@ylswtrue% subst. on 2

+     \gdef\@ylii{-171}\gdef\@yli{33}\global\@ylswtrue% subst. on 2

+    \else%terminal position

+ %    \gdef\@ylii{-211}\gdef\@yli{-93}\global\@ylswtrue% subst. on 2

+     \gdef\@ylii{-211}\gdef\@yli{-10}\global\@ylswtrue% subst. on 2

+    \fi

+   \fi

+  \or

+   \ifx\bbb\empty

+%    \gdef\@ylii{-171}\gdef\@yli{-103}\global\@ylswtrue% subst. on 2

+    \gdef\@ylii{-171}\gdef\@yli{0}\global\@ylswtrue% subst. on 2

+   \else

+    \if@rinterchainsw%interchain position

+%     \gdef\@ylii{-171}\gdef\@yli{-133}\global\@ylswtrue% subst. on 2

+     \gdef\@ylii{-171}\gdef\@yli{33}\global\@ylswtrue% subst. on 2

+    \else%terminal position

+%     \gdef\@ylii{-211}\gdef\@yli{-93}\global\@ylswtrue% subst. on 2

+     \gdef\@ylii{-211}\gdef\@yli{-10}\global\@ylswtrue% subst. on 2

+    \fi

+   \fi

+  \or \relax

+  \fi

+\fi%end of ifcase

+\fi}}% end of \yldimethyleneiposition

+%    \end{macrocode}

+% \end{macro}

+%

+% The macro |\dimethylenei| has two arguments |ATOMLIST| and |SUBSLIST| 

+% as well as an optional argument |BONDLIST|.  

+%

+% \begin{macro}{\dimethylenei}

+% \begin{macro}{\@dimethylenei}

+% \begin{verbatim}

+%

+%    aaa

+%     1

+%     a `   (or uppercase letter)

+%        `

+%          2

+%         bbb

+% \end{verbatim}

+%

+% \begin{verbatim}

+% \dimethylenei[BONDLIST]{ATOMLIST}{SUBSLIST}

+% \end{verbatim}

+%

+% The |BONDLIST| argument contains one character a or A, 

+% each of which indicates the presence of an inner (endcyclic) double 

+% bond on the corresponding position.  A lowercase letter is used 

+% to typeset a double bond at a upper-side of an outer skeletal bond, 

+% while an uppercase letter typesets a double bond at a lower-side of 

+% an outer skeletal bond.  

+% (Note that the option `A' represents an aromatic circle in 

+% commands |\sixheterov| etc. ) 

+%

+% \begin{verbatim}

+%     BONDLIST = 

+%

+%           [] or none :  no double bond

+%           a          :  1,2-double bond

+%           A          :  1,2-double bond in an opposite side

+% \end{verbatim}

+%

+% The |ATOMLIST| argument contains one or more heteroatom descriptors 

+% which are separated from each other by a semicolon.  Each heteroatom 

+% descriptor consists of a locant number and a heteroatom, 

+% where these are separated with a double equality symbol. 

+%

+% \begin{verbatim}

+%

+%     ATOMLIST: list of heteroatoms (max 2 atoms)

+%

+%       for n = 1 and 2

+%

+%           n==?    : Hetero atom, e.g. N, O, etc. at n-position, 

+%                        e.g. 1==N for N at 1-position

+% \end{verbatim}

+%

+% The |SUBSLIST| argument contains one or more substitution descriptors 

+% which are separated from each other by a semicolon.  Each substitution 

+% descriptor has a locant number with a bond modifier and a substituent, 

+% where these are separated with a double equality symbol. 

+% \begin{verbatim}

+%

+%     SUBSLIST: list of substituents

+%

+%       for n = 1 and 2

+%

+%           nD         :  exocyclic double bond at n-atom

+%           n or nS    :  exocyclic single bond at n-atom

+%           nA         :  alpha single bond at n-atom

+%           nB         :  beta single bond at n-atom

+%           nSA        :  alpha single bond at n-atom (boldface)

+%           nSB        :  beta single bond at n-atom (dotted line)

+%           nSa        :  alpha (not specified) single bond at n-atom

+%           nSb        :  beta (not specified) single bond at n-atom

+%           nW         :  terminal single bond (n=1 or 2)

+%

+% \end{verbatim}

+%

+% Several examples are shown as follows.

+% \begin{verbatim}

+%       e.g. 

+%        

+%        \dimethylenei{1==N}{1==Cl;2==F}

+%        \dimethylenei[a]{1==N}{1==Cl;4==F;2==CH$_{3}$}

+% \end{verbatim}

+%

+% The definition of |\dimethylenei| uses a picture environment and 

+% consists of the following unit processes: 

+% \begin{enumerate}

+% \item adjusting substitution site by 

+%       |\yldimethyleneposition|

+% \item treating atom list, 

+%       placing outer skeletons, inner double bonds, 

+%       setting hetero atoms, and 

+%       placing substituents by |\@@dimethylene|. 

+% \end{enumerate}

+%

+%    \begin{macrocode}

+\def\dimethylenei{%

+\@ifnextchar[{\@dimethylenei[@}{\@dimethylenei[]}}

+\def\@dimethylenei[#1]#2#3{%

+\iniflag\iniatom%

+\@reset@ylsw%

+\reset@interchainsw%

+\yldimethyleneiposition{#2}{#3}{0}{0}%

+\if@ylsw

+ \yl@shiftii=\@ylii

+ \yl@shifti=\@yli

+ \advance\yl@shiftii\yl@xdiff

+ \advance\yl@shifti\yl@ydiff

+ \begin{picture}(0,0)(-\yl@shiftii,-\yl@shifti)

+ \reset@yl@xydiff%1999/1/6 by S. Fujita

+\else

+\begin{picture}(250,480)(-50,-180)

+  \iforigpt \put(-50,-180){\circle*{50}}%

+           \put(0,0){\circle{50}}% 

+   \typeout{command `dimethylene' origin: %

+    (0,0) ---> (50,180)}\fi%

+\fi

+\reset@double%

+\@tfor\member:=#1\do{%

+\if\member a\relax 

+\@adoublebondtrue

+\else\if\member A\relax 

+\@Adoublebondtrue

+\else

+  \expandafter\twoCH@@R\member//%

+    \set@fusion@dimethi

+\fi\fi}%

+\@wrongbdWafalse

+\@wrongbdWdfalse

+   \put(0,0){\@@dimethylenei{#2}{#3}{0}{0}}%

+\end{picture}}% end of \dimethylenei

+%    \end{macrocode}

+% \end{macro}

+% \end{macro}

+%

+% The inner command |\set@fusion@dimethi| is used for typesetting 

+% a fused ring at each bond represented by |\@@tmpa|.  Warnings 

+% concerning mismatched ring-fusions are based on the command 

+% |\FuseWarning|. 

+%

+% \begin{macro}{\set@fusion@dimethi}

+% \changes{v2.00}{1998/12/21}{New command: \cs{set@fusion@dimethi}}
+%    \begin{macrocode}

+\def\set@fusion@dimethi{%

+% %%%%%%%%%%%%%%%%%%%%%

+% % inner bond fusion %

+% %%%%%%%%%%%%%%%%%%%%%

+\if\@@tmpa a\relax%

+        \putlratom{0}{103}{\@@tmpb}%     % bond fused

+        \FuseWarning{-171}{103}%

+          {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{a}%

+   \else\if\@@tmpa A\relax%

+        \putlratom{171}{0}{\@@tmpb}%       % bond fused

+        \FuseWarning{171}{-103}%

+          {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{A}%

+\fi\fi

+}% end of the macro \set@fusion@dimethi

+%    \end{macrocode}

+% \end{macro}

+%

+% \section{Tetramethylenes}

+% \subsection{Normal direction}

+%

+% The macro |\tetramethylene| has two arguments |ATOMLIST| and |SUBSLIST| 

+% as well as an optional argument |BONDLIST|.  

+%

+% \begin{macro}{\tetramethylene}

+% \begin{macro}{\@tetramethylene}

+%

+% \begin{verbatim}

+%

+%       bbb     ddd

+%        2       4

+%     a /  ` b  / c (or uppercase letters)

+%      /    `  /

+%     1      3

+%    aaa    ccc

+% \end{verbatim}

+%

+% \begin{verbatim}

+% \tetramethylene[BONDLIST]{ATOMLIST}{SUBSLIST}

+% \end{verbatim}

+%

+% The |BONDLIST| argument contains one character selected from 

+% a to c (or A to C), 

+% each of which indicates the presence of an inner (endcyclic) double 

+% bond on the corresponding position.  A lowercase letter is used 

+% to typeset a double bond at a lower-side of an outer skeletal bond, 

+% while an uppercase letter typesets a double bond at a upper-side of 

+% an outer skeletal bond.  

+% (Note that the option `A' represents an aromatic circle in 

+% commands |\sixheterov| etc.)  

+%

+% \begin{verbatim}

+%     BONDLIST = 

+%

+%           [] or none :  no double bond

+%           a          :  1,2-double bond

+%           A          :  1,2-double bond in an opposite side

+%           b          :  2,3-double bond 

+%           B          :  2,3-double bond in an opposite side

+%           c          :  3,4-double bond 

+%           C          :  3,4-double bond in an opposite side

+% \end{verbatim}

+%

+% The |ATOMLIST| argument contains one or more heteroatom descriptors 

+% which are separated from each other by a semicolon.  Each heteroatom 

+% descriptor consists of a locant number and a heteroatom, 

+% where these are separated with a double equality symbol. 

+%

+% \begin{verbatim}

+%

+%     ATOMLIST: list of heteroatoms (max 4 atoms)

+%

+%       for n = 1 to 4

+%

+%           n==?    : Hetero atom, e.g. N, O, etc. at n-position, 

+%                        e.g. 1==N for N at 1-position

+% \end{verbatim}

+%

+% The |SUBSLIST| argument contains one or more substitution descriptors 

+% which are separated from each other by a semicolon.  Each substitution 

+% descriptor has a locant number with a bond modifier and a substituent, 

+% where these are separated with a double equality symbol. 

+% \begin{verbatim}

+%

+%     SUBSLIST: list of substituents

+%

+%       for n = 1 to 4

+%

+%           nD         :  exocyclic double bond at n-atom

+%           n or nS    :  exocyclic single bond at n-atom

+%           nA         :  alpha single bond at n-atom

+%           nB         :  beta single bond at n-atom

+%           nSA        :  alpha single bond at n-atom (boldface)

+%           nSB        :  beta single bond at n-atom (dotted line)

+%           nSa        :  alpha (not specified) single bond at n-atom

+%           nSb        :  beta (not specified) single bond at n-atom

+%           nW         :  terminal single bond (n=1 or 4)

+%

+% \end{verbatim}

+%

+% Several examples are shown as follows.

+% \begin{verbatim}

+%       e.g. 

+%        

+%        \tetramethylene{1==N}{1==Cl;2==F}

+%        \tetramethylene[b]{1==N}{1==Cl;4==F;2==CH$_{3}$}

+% \end{verbatim}

+%

+% The definition of |\tetramethylene| uses a picture environment and 

+% is based on |\@@trimethylene| and |\@@dimethylene|, each of which

+% is consist of the following unit processes: 

+% \begin{enumerate}

+% \item adjusting substitution site by 

+%       |\yltrimethyleneposition| or 

+%       |\yldimethyleneposition|

+% \item treating atom list, 

+%       placing outer skeletons, inner double bonds, 

+%       setting hetero atoms, and 

+%       placing substituents by |\@@trimethylene|or |\@@dimethylene|. 

+% \end{enumerate}

+%

+%    \begin{macrocode}

+\def\tetramethylene{%

+\@ifnextchar[{\@tetramethylene[@}{\@tetramethylene[]}}

+\def\@tetramethylene[#1]#2#3{%

+\iniflag\iniatom%

+\@reset@ylsw%

+{\@linterchainswfalse%

+\@rinterchainswtrue%

+\yltrimethyleneposition{#2}{#3}{0}{0}}%

+\if@ylsw \ifx\@@ylii\empty

+\def\@@ylii{0}\def\@@yli{0}\fi

+\else

+{\@rinterchainswfalse%

+\@linterchainswtrue%

+\yldimethyleneposition{#2}{#3}{1}{-2}}%

+\if@ylsw \ifx\@@ylii\empty

+\def\@@ylii{-342}\def\@@yli{0}\fi\fi

+\fi

+\if@ylsw

+ \yl@shiftii=\@ylii

+ \yl@shifti=\@yli

+ \advance\yl@shiftii\@@ylii

+ \advance\yl@shifti\@@yli

+ \advance\yl@shiftii\yl@xdiff

+ \advance\yl@shifti\yl@ydiff

+ \begin{picture}(0,0)(-\yl@shiftii,-\yl@shifti)

+ \reset@yl@xydiff%1999/1/6 by S. Fujita

+\else

+\begin{picture}(900,480)(-200,-180)

+  \iforigpt \put(-200,-180){\circle*{50}}%

+           \put(0,0){\circle{50}}% 

+   \typeout{command `tetramethylene' origin: %

+    (0,0) ---> (200,180)}\fi%

+\fi

+{\reset@double%

+\@tfor\member:=#1\do{%

+\if\member a\relax 

+\@adoublebondtrue

+\else\if\member b\relax 

+\@bdoublebondtrue

+\else\if\member A\relax 

+\@Adoublebondtrue

+\else\if\member B\relax 

+\@Bdoublebondtrue

+\else\if\member c\relax%dummy

+\else\if\member C\relax%dummy

+\else

+  \expandafter\twoCH@@R\member//%

+    \set@fusion@tetrameth

+\fi\fi

+\fi\fi\fi\fi}%

+\@wrongbdWatrue

+\@wrongbdWdtrue

+\put(0,0){\@@trimethylene{#2}{#3}{0}{0}}}%

+{\reset@double%

+\@tfor\member:=#1\do{%

+\if\member c\relax 

+\@adoublebondtrue

+\else\if\member C\relax 

+\@Adoublebondtrue

+\fi\fi}%

+\@wrongbdWafalse

+\@wrongbdWdtrue

+\put(342,0){\@@dimethylene{#2}{#3}{1}{-2}}}%

+\end{picture}}% end of \tetramethylene

+%    \end{macrocode}

+% \end{macro}

+% \end{macro}

+%

+% The inner command |\set@fusion@tetrameth| is used for typesetting 

+% a fused ring at each bond represented by |\@@tmpa|.  Warnings 

+% concerning mismatched ring-fusions are based on the command 

+% |\FuseWarning|. 

+%

+% \begin{macro}{\set@fusion@tetrameth}

+% \changes{v2.00}{1998/12/21}{New command: \cs{set@fusion@tetrameth}}
+%    \begin{macrocode}

+\def\set@fusion@tetrameth{%

+% %%%%%%%%%%%%%%%%%%%%%

+% % inner bond fusion %

+% %%%%%%%%%%%%%%%%%%%%%

+\if\@@tmpa a\relax%

+        \putlratom{0}{0}{\@@tmpb}%     % bond fused

+        \FuseWarning{-171}{-103}%

+          {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{a}%

+      \else\if\@@tmpa A\relax%

+        \putlratom{171}{103}{\@@tmpb}%       % bond fused

+        \FuseWarning{171}{103}%

+          {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{A}%

+      \else\if\@@tmpa b\relax%

+        \putlratom{171}{103}{\@@tmpb}%       % bond fused

+        \FuseWarning{-171}{103}%

+          {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{b}%

+      \else\if\@@tmpa B\relax%

+        \putlratom{342}{0}{\@@tmpb}%    % bond fused

+        \FuseWarning{171}{-103}%

+          {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{B}%

+      \else\if\@@tmpa c\relax%

+        \putlratom{342}{0}{\@@tmpb}%     % bond fused

+        \FuseWarning{-171}{-103}%

+          {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{c}%

+      \else\if\@@tmpa C\relax%

+        \putlratom{513}{103}{\@@tmpb}%       % bond fused

+        \FuseWarning{171}{103}%

+          {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{C}%

+   \fi\fi

+   \fi\fi\fi\fi

+}% end of the macro \set@fusion@tetrameth

+%    \end{macrocode}

+% \end{macro}

+%

+% \subsection{Inverse direction}

+%

+% The macro |\tetramethylenei| has two arguments |ATOMLIST| and |SUBSLIST| 

+% as well as an optional argument |BONDLIST|.  

+%

+% \begin{macro}{\tetramethylenei}

+% \begin{macro}{\@tetramethylenei}

+%

+% \begin{verbatim}

+%

+%  aaa      ccc

+%    1       3

+%   a `   b /  ` c  (or uppercase letters)

+%       `  /    `

+%        2        4

+%       bbb       ddd

+% \end{verbatim}

+%

+% \begin{verbatim}

+% \tetramethylenei[BONDLIST]{ATOMLIST}{SUBSLIST}

+% \end{verbatim}

+%

+% The |BONDLIST| argument contains one character selected from 

+% a to c (or A to C), 

+% each of which indicates the presence of an inner (endcyclic) double 

+% bond on the corresponding position.  A lowercase letter is used 

+% to typeset a double bond at a lower-side of an outer skeletal bond, 

+% while an uppercase letter typesets a double bond at a upper-side of 

+% an outer skeletal bond.  

+% (Note that the option `A' represents an aromatic circle in 

+% commands |\sixheterov| etc.)  

+%

+% \begin{verbatim}

+%     BONDLIST = 

+%

+%           [] or none :  no double bond

+%           a          :  1,2-double bond

+%           A          :  1,2-double bond in an opposite side

+%           b          :  2,3-double bond 

+%           B          :  2,3-double bond in an opposite side

+%           c          :  3,4-double bond 

+%           C          :  3,4-double bond in an opposite side

+% \end{verbatim}

+%

+% The |ATOMLIST| argument contains one or more heteroatom descriptors 

+% which are separated from each other by a semicolon.  Each heteroatom 

+% descriptor consists of a locant number and a heteroatom, 

+% where these are separated with a double equality symbol. 

+%

+% \begin{verbatim}

+%

+%     ATOMLIST: list of heteroatoms (max 4 atoms)

+%

+%       for n = 1 to 4

+%

+%           n==?    : Hetero atom, e.g. N, O, etc. at n-position, 

+%                        e.g. 1==N for N at 1-position

+% \end{verbatim}

+%

+% The |SUBSLIST| argument contains one or more substitution descriptors 

+% which are separated from each other by a semicolon.  Each substitution 

+% descriptor has a locant number with a bond modifier and a substituent, 

+% where these are separated with a double equality symbol. 

+% \begin{verbatim}

+%

+%     SUBSLIST: list of substituents

+%

+%       for n = 1 to 4

+%

+%           nD         :  exocyclic double bond at n-atom

+%           n or nS    :  exocyclic single bond at n-atom

+%           nA         :  alpha single bond at n-atom

+%           nB         :  beta single bond at n-atom

+%           nSA        :  alpha single bond at n-atom (boldface)

+%           nSB        :  beta single bond at n-atom (dotted line)

+%           nSa        :  alpha (not specified) single bond at n-atom

+%           nSb        :  beta (not specified) single bond at n-atom

+%           nW         :  terminal single bond (n=1 or 4)

+%

+% \end{verbatim}

+%

+% Several examples are shown as follows.

+% \begin{verbatim}

+%       e.g. 

+%        

+%        \tetramethylenei{1==N}{1==Cl;2==F}

+%        \tetramethylenei[b]{1==N}{1==Cl;4==F;2==CH$_{3}$}

+% \end{verbatim}

+%

+% The definition of |\tetramethylenei| uses a picture environment and 

+% is based on |\@@trimethylenei| and |\@@dimethylenei|, each of which

+% is consist of the following unit processes: 

+% \begin{enumerate}

+% \item adjusting substitution site by 

+%       |\yltrimethylenieposition| or 

+%       |\yldimethyleneiposition|

+% \item treating atom list, 

+%       placing outer skeletons, inner double bonds, 

+%       setting hetero atoms, and 

+%       placing substituents by |\@@trimethylenei| or |\@@dimethylenei|. 

+% \end{enumerate}

+%

+%    \begin{macrocode}

+\def\tetramethylenei{%

+\@ifnextchar[{\@tetramethylenei[@}{\@tetramethylenei[]}}

+\def\@tetramethylenei[#1]#2#3{%

+\iniflag\iniatom%

+\@reset@ylsw%

+{\@linterchainswfalse%

+\@rinterchainswtrue%

+\yltrimethyleneiposition{#2}{#3}{0}{0}}%

+\if@ylsw \ifx\@@ylii\empty

+\def\@@ylii{0}\def\@@yli{0}\fi

+\else

+{\@rinterchainswfalse%

+\@linterchainswtrue%

+\yldimethyleneiposition{#2}{#3}{1}{-2}}%

+\if@ylsw \ifx\@@ylii\empty

+\def\@@ylii{-342}\def\@@yli{0}\fi\fi

+\fi

+\if@ylsw

+ \yl@shiftii=\@ylii

+ \yl@shifti=\@yli

+ \advance\yl@shiftii\@@ylii

+ \advance\yl@shifti\@@yli

+ \advance\yl@shiftii\yl@xdiff

+ \advance\yl@shifti\yl@ydiff

+ \begin{picture}(0,0)(-\yl@shiftii,-\yl@shifti)

+ \reset@yl@xydiff%1999/1/6 by S. Fujita

+\else

+\begin{picture}(900,480)(-200,-180)

+  \iforigpt \put(-200,-180){\circle*{50}}%

+           \put(0,0){\circle{50}}% 

+   \typeout{command `tetramethylene' origin: %

+    (0,0) ---> (200,180)}\fi%

+\fi

+{\reset@double%

+\@tfor\member:=#1\do{%

+\if\member a\relax 

+\@adoublebondtrue

+\else\if\member b\relax 

+\@bdoublebondtrue

+\else\if\member A\relax 

+\@Adoublebondtrue

+\else\if\member B\relax 

+\@Bdoublebondtrue

+\else\if\member c\relax%dummy

+\else\if\member C\relax%dummy

+\else

+  \expandafter\twoCH@@R\member//%

+    \set@fusion@tetramethi

+\fi\fi

+\fi\fi\fi\fi}%

+\@wrongbdWatrue

+\@wrongbdWdtrue

+\put(0,0){\@@trimethylenei{#2}{#3}{0}{0}}}

+{\reset@double%

+\@tfor\member:=#1\do{%

+\if\member c\relax 

+\@adoublebondtrue

+\else\if\member C\relax 

+\@Adoublebondtrue

+\fi\fi}%

+\@wrongbdWatrue

+\@wrongbdWdfalse

+\put(342,0){\@@dimethylenei{#2}{#3}{1}{-2}}}

+\end{picture}}%end of \tetramethylenei

+%    \end{macrocode}

+% \end{macro}

+% \end{macro}

+%

+% The inner command |\set@fusion@tetramethi| is used for typesetting 

+% a fused ring at each bond represented by |\@@tmpa|.  Warnings 

+% concerning mismatched ring-fusions are based on the command 

+% |\FuseWarning|. 

+%

+% \begin{macro}{\set@fusion@tetramethi}

+% \changes{v2.00}{1998/12/21}{New command: \cs{set@fusion@tetramethi}}
+%    \begin{macrocode}

+\def\set@fusion@tetramethi{%

+% %%%%%%%%%%%%%%%%%%%%%

+% % inner bond fusion %

+% %%%%%%%%%%%%%%%%%%%%%

+\if\@@tmpa a\relax%

+        \putlratom{0}{103}{\@@tmpb}%     % bond fused

+        \FuseWarning{-171}{103}%

+          {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{a}%

+      \else\if\@@tmpa A\relax%

+        \putlratom{171}{0}{\@@tmpb}%       % bond fused

+        \FuseWarning{171}{-103}%

+          {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{A}%

+      \else\if\@@tmpa b\relax%

+        \putlratom{171}{0}{\@@tmpb}%       % bond fused

+        \FuseWarning{-171}{-103}%

+          {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{b}%

+      \else\if\@@tmpa B\relax%

+        \putlratom{342}{103}{\@@tmpb}%    % bond fused

+        \FuseWarning{171}{103}%

+          {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{B}%

+      \else\if\@@tmpa c\relax%

+        \putlratom{342}{103}{\@@tmpb}%     % bond fused

+        \FuseWarning{-171}{103}%

+          {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{c}%

+      \else\if\@@tmpa C\relax%

+        \putlratom{513}{0}{\@@tmpb}%       % bond fused

+        \FuseWarning{171}{-103}%

+          {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{C}%

+   \fi\fi

+   \fi\fi\fi\fi

+}% end of the macro \set@fusion@tetramethi

+%    \end{macrocode}

+% \end{macro}

+%

+% \subsection{Cisoid types}

+%

+% The macros |\tetramethylenecup| and |\tetramethylenecap| are 

+% used to draw tetramethylenes of cisoid types. 

+%

+% \begin{verbatim}

+%  Cup:

+%    aaa           ddd

+%     1           4

+%      `         /

+%     a `       / c (or uppercase letters)

+%        2------3   

+%       bbb  b  ccc

+%

+%  Cap:

+%       bbb  b  ccc

+%        2------3   

+%     a /       ` c (or uppercase letters)

+%      /         `

+%     1           4

+%    aaa           ddd

+% \end{verbatim}

+%

+% The macros have two arguments |ATOMLIST| and |SUBSLIST| 

+% as well as an optional argument |BONDLIST|.  

+% \begin{verbatim}

+% \tetramethylenecup[BONDLIST]{ATOMLIST}{SUBSLIST}

+% \tetramethylenecap[BONDLIST]{ATOMLIST}{SUBSLIST}

+% \end{verbatim}

+%

+% The |BONDLIST| argument contains one character selected from 

+% a to c (or A to C), 

+% each of which indicates the presence of an inner (endcyclic) double 

+% bond on the corresponding position.  A lowercase letter is used 

+% to typeset a double bond at a lower-side of an outer skeletal bond, 

+% while an uppercase letter typesets a double bond at a upper-side of 

+% an outer skeletal bond.  

+% (Note that the option `A' represents an aromatic circle in 

+% commands |\sixheterov| etc.)  

+%

+% \begin{verbatim}

+%     BONDLIST = 

+%

+%           [] or none :  no double bond

+%           a          :  1,2-double bond

+%           A          :  1,2-double bond in an opposite side

+%           b          :  2,3-double bond 

+%           B          :  2,3-double bond in an opposite side

+%           c          :  3,4-double bond 

+%           C          :  3,4-double bond in an opposite side

+% \end{verbatim}

+%

+% The |ATOMLIST| argument contains one or more heteroatom descriptors 

+% which are separated from each other by a semicolon.  Each heteroatom 

+% descriptor consists of a locant number and a heteroatom, 

+% where these are separated with a double equality symbol. 

+%

+% \begin{verbatim}

+%

+%     ATOMLIST: list of heteroatoms (max 4 atoms)

+%

+%       for n = 1 to 4

+%

+%           n==?    : Hetero atom, e.g. N, O, etc. at n-position, 

+%                        e.g. 1==N for N at 1-position

+% \end{verbatim}

+%

+% The |SUBSLIST| argument contains one or more substitution descriptors 

+% which are separated from each other by a semicolon.  Each substitution 

+% descriptor has a locant number with a bond modifier and a substituent, 

+% where these are separated with a double equality symbol. 

+% \begin{verbatim}

+%

+%     SUBSLIST: list of substituents

+%

+%       for n = 1 to 4

+%

+%           nD         :  exocyclic double bond at n-atom

+%           n or nS    :  exocyclic single bond at n-atom

+%           nA         :  alpha single bond at n-atom

+%           nB         :  beta single bond at n-atom

+%           nSA        :  alpha single bond at n-atom (boldface)

+%           nSB        :  beta single bond at n-atom (dotted line)

+%           nSa        :  alpha (not specified) single bond at n-atom

+%           nSb        :  beta (not specified) single bond at n-atom

+%           nW         :  terminal single bond (n=1 or 4)

+%

+% \end{verbatim}

+%

+% Several examples are shown as follows.

+% \begin{verbatim}

+%       e.g. 

+%        

+%        \tetramethylenecup{1==N}{1==Cl;2==F}

+%        \tetramethylenecap[b]{1==N}{1==Cl;4==F;2==CH$_{3}$}

+% \end{verbatim}

+%

+% \begin{macro}{\tetramethylenecup}

+% \begin{macro}{\@tetramethylenecup}

+%    \begin{macrocode}

+\def\tetramethylenecup{%

+\@ifnextchar[{\@tetramethylenecup[@}{\@tetramethylenecup[]}}

+\def\@tetramethylenecup[#1]#2#3{%

+\iniflag\iniatom%

+\@reset@ylsw%

+{\@linterchainswfalse%

+\@rinterchainswtrue%

+\yldimethyleneiposition{#2}{#3}{0}{0}}%

+\if@ylsw \ifx\@@ylii\empty

+\def\@@ylii{0}\def\@@yli{0}\fi

+\else

+{\@rinterchainswfalse%

+\@linterchainswtrue%

+\yldimethyleneposition{#2}{#3}{0}{-2}}%

+\fi

+\if@ylsw \ifx\@@ylii\empty

+\def\@@ylii{-371}\def\@@yli{0}\fi\fi

+\if@ylsw

+ \yl@shiftii=\@ylii

+ \yl@shifti=\@yli

+ \advance\yl@shiftii\@@ylii

+ \advance\yl@shifti\@@yli

+ \advance\yl@shiftii\yl@xdiff

+ \advance\yl@shifti\yl@ydiff

+ \begin{picture}(0,0)(-\yl@shiftii,-\yl@shifti)

+ \reset@yl@xydiff

+\else

+\begin{picture}(900,480)(-200,-180)

+  \iforigpt \put(-200,-180){\circle*{50}}%

+           \put(0,0){\circle{50}}% 

+   \typeout{command `tetramethylenecup' origin: %

+    (0,0) ---> (200,180)}\fi%

+\fi%

+%bond a and atoms 1 and 2

+{\reset@double%

+\@tfor\member:=#1\do{%

+\if\member a\relax 

+\@adoublebondtrue

+\else\if\member A\relax 

+\@Adoublebondtrue

+\else\if\member b\relax%dummy

+\else\if\member B\relax%dummy

+\else\if\member c\relax%dummy

+\else\if\member C\relax%dummy

+\else

+  \expandafter\twoCH@@R\member//%

+    \set@fusion@tetracup% for all bonds

+\fi\fi\fi\fi

+\fi\fi}%

+\@wrongbdWafalse

+\@wrongbdWdtrue

+\put(0,0){\@@dimethylenei{#2}{#3}{0}{0}}}%

+%bond b

+{\@forsemicol\member:=#2\do{%

+\ifx\member\empty\else

+\expandafter\@m@mb@r\member;\relax%

+\expandafter\twoch@r\@membera{}%

+\ifcase\@tmpa%

+ \or \relax%

+ \or \if\@tmpb s\relax\else\if\@tmpb h\relax

+     \xdef\fff{@}\xdef\bbb{@}\else

+     \xdef\fff{@}\xdef\bbb{@}\fi\fi

+ \or \if\@tmpb s\relax\else\if\@tmpb h\relax

+     \xdef\eee{@}\xdef\ccc{@}\else

+     \xdef\eee{@}\xdef\ccc{@}\fi\fi

+\fi\fi}%

+\put(68,171){\hskbonde}%

+\reset@double%

+\@tfor\member:=#1\do{%

+ \if\member b\relax 

+ \@bdoublebondtrue

+ \put(68,171){\hbonde}%

+ \else\if\member B\relax 

+ \@bdoublebondtrue

+ \put(68,-171){\hbondb}%

+ \fi\fi}}%

+%bond c and atoms 3 and 4

+{\reset@double%

+\@tfor\member:=#1\do{%

+\if\member c\relax 

+\@adoublebondtrue

+\else\if\member C\relax 

+\@Adoublebondtrue

+\else\if\member d\relax 

+\@bdoublebondtrue

+\else\if\member D\relax 

+\@Bdoublebondtrue

+\fi\fi\fi\fi}%

+ \@wrongbdWafalse

+ \@wrongbdWdLtrue

+\put(371,0){\@@dimethylene{#2}{#3}{0}{-2}}}%

+\end{picture}}% end of \tetramethylenecup

+%    \end{macrocode}

+% \end{macro}

+% \end{macro}

+%

+% The inner command |\set@fusion@tetracup| is used for typesetting 

+% a fused ring at each bond represented by |\@@tmpa|.  Warnings 

+% concerning mismatched ring-fusions are based on the command 

+% |\FuseWarning|. 

+%

+% \begin{macro}{\set@fusion@tetracup}

+% \changes{v2.00}{1998/12/21}{New command: \cs{set@fusion@tetracup}}
+%    \begin{macrocode}

+\def\set@fusion@tetracup{%

+% %%%%%%%%%%%%%%%%%%%%%

+% % inner bond fusion %

+% %%%%%%%%%%%%%%%%%%%%%

+\if\@@tmpa a\relax%

+        \putlratom{0}{103}{\@@tmpb}%     % bond fused

+        \FuseWarning{-171}{103}%

+          {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{a}%

+      \else\if\@@tmpa A\relax%

+        \putlratom{171}{0}{\@@tmpb}%       % bond fused

+        \FuseWarning{171}{-103}%

+          {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{A}%

+      \else\if\@@tmpa b\relax%

+        \putlratom{171}{0}{\@@tmpb}%       % bond fused

+        \FuseWarning{-200}{0}%

+          {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{b}%

+      \else\if\@@tmpa B\relax%

+        \putlratom{371}{0}{\@@tmpb}%    % bond fused

+        \FuseWarning{200}{0}%

+          {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{B}%

+      \else\if\@@tmpa c\relax%

+        \putlratom{371}{0}{\@@tmpb}%     % bond fused

+        \FuseWarning{-171}{-103}%

+          {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{c}%

+      \else\if\@@tmpa C\relax%

+        \putlratom{542}{103}{\@@tmpb}%       % bond fused

+        \FuseWarning{171}{103}%

+          {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{C}%

+   \fi\fi

+   \fi\fi\fi\fi

+}% end of the macro \set@fusion@tetracup

+%    \end{macrocode}

+% \end{macro}

+%

+%

+% \begin{macro}{\tetramethylenecap}

+% \begin{macro}{\@tetramethylenecap}

+%    \begin{macrocode}

+\def\tetramethylenecap{%

+\@ifnextchar[{\@tetramethylenecap[@}{\@tetramethylenecap[]}}

+\def\@tetramethylenecap[#1]#2#3{%

+\iniflag\iniatom%

+\@reset@ylsw%

+{\@linterchainswfalse%

+\@rinterchainswtrue%

+\yldimethyleneposition{#2}{#3}{0}{0}}%

+\if@ylsw \ifx\@@ylii\empty

+\def\@@ylii{0}\def\@@yli{0}\fi

+\else

+{\@rinterchainswfalse%

+\@linterchainswtrue%

+\yldimethyleneiposition{#2}{#3}{0}{-2}}%

+\fi

+\if@ylsw \ifx\@@ylii\empty

+\def\@@ylii{-371}\def\@@yli{0}\fi\fi

+\if@ylsw

+ \yl@shiftii=\@ylii

+ \yl@shifti=\@yli

+ \advance\yl@shiftii\@@ylii

+ \advance\yl@shifti\@@yli

+ \advance\yl@shiftii\yl@xdiff

+ \advance\yl@shifti\yl@ydiff

+ \begin{picture}(0,0)(-\yl@shiftii,-\yl@shifti)

+ \reset@yl@xydiff%1999/1/6 by S. Fujita

+\else

+\begin{picture}(900,480)(-200,-180)

+  \iforigpt \put(-200,-180){\circle*{50}}%

+           \put(0,0){\circle{50}}% 

+   \typeout{command `tetramethylenecap' origin: %

+    (0,0) ---> (50,180)}\fi%

+\fi%

+{\reset@double%

+\@tfor\member:=#1\do{%

+\if\member a\relax 

+\@adoublebondtrue

+\else\if\member A\relax 

+\@Adoublebondtrue

+\else\if\member b\relax%dummy

+\else\if\member B\relax%dummy

+\else\if\member c\relax%dummy

+\else\if\member C\relax%dummy

+\else

+  \expandafter\twoCH@@R\member//%

+    \set@fusion@tetracap% for all bonds

+\fi\fi\fi\fi

+\fi\fi}%

+\@wrongbdWatrue

+\put(0,0){\@@dimethylene{#2}{#3}{0}{0}}}%

+{\@forsemicol\member:=#2\do{%

+\ifx\member\empty\else

+\expandafter\@m@mb@r\member;\relax%

+\expandafter\twoch@r\@membera{}%

+\ifcase\@tmpa%

+ \or \relax%

+ \or \if\@tmpb s\relax\else\if\@tmpb h\relax

+     \xdef\fff{@}\xdef\bbb{@}\else

+     \xdef\fff{@}\xdef\bbb{@}\fi\fi

+ \or \if\@tmpb s\relax\else\if\@tmpb h\relax

+     \xdef\eee{@}\xdef\ccc{@}\else

+     \xdef\eee{@}\xdef\ccc{@}\fi\fi

+\fi\fi}%

+\put(68,-68){\hskbondb}%

+\reset@double%

+\@tfor\member:=#1\do{%

+ \if\member b\relax 

+ \@bdoublebondtrue

+ \put(68,-68){\hbondb}%

+ \else\if\member B\relax 

+ \@bdoublebondtrue

+ \put(68,274){\hbonde}%

+ \fi\fi}}%

+{\reset@double%

+\@tfor\member:=#1\do{%

+\if\member c\relax 

+\@adoublebondtrue

+\else\if\member C\relax 

+\@Adoublebondtrue

+\else\if\member d\relax 

+\@bdoublebondtrue

+\else\if\member D\relax 

+\@Bdoublebondtrue

+\fi\fi\fi\fi}%

+ \@wrongbdWaLtrue

+\put(371,0){\@@dimethylenei{#2}{#3}{0}{-2}}}%

+\end{picture}}% end of \tetramethylenecap

+%    \end{macrocode}

+% \end{macro}

+% \end{macro}

+%

+% The inner command |\set@fusion@tetracap| is used for typesetting 

+% a fused ring at each bond represented by |\@@tmpa|.  Warnings 

+% concerning mismatched ring-fusions are based on the command 

+% |\FuseWarning|. 

+%

+% \begin{macro}{\set@fusion@tetracap}

+% \changes{v2.00}{1998/12/21}{New command: \cs{set@fusion@tetracap}}
+%    \begin{macrocode}

+\def\set@fusion@tetracap{%

+% %%%%%%%%%%%%%%%%%%%%%

+% % inner bond fusion %

+% %%%%%%%%%%%%%%%%%%%%%

+\if\@@tmpa a\relax%

+        \putlratom{0}{0}{\@@tmpb}%     % bond fused

+        \FuseWarning{-171}{-103}%

+          {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{a}%

+      \else\if\@@tmpa A\relax%

+        \putlratom{171}{103}{\@@tmpb}%       % bond fused

+        \FuseWarning{171}{103}%

+          {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{A}%

+      \else\if\@@tmpa b\relax%

+        \putlratom{171}{103}{\@@tmpb}%       % bond fused

+        \FuseWarning{-200}{0}%

+          {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{b}%

+      \else\if\@@tmpa B\relax%

+        \putlratom{371}{103}{\@@tmpb}%    % bond fused

+        \FuseWarning{200}{0}%

+          {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{B}%

+      \else\if\@@tmpa c\relax%

+        \putlratom{371}{103}{\@@tmpb}%     % bond fused

+        \FuseWarning{-171}{103}%

+          {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{c}%

+      \else\if\@@tmpa C\relax%

+        \putlratom{542}{0}{\@@tmpb}%       % bond fused

+        \FuseWarning{171}{-103}%

+          {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{C}%

+   \fi\fi

+   \fi\fi\fi\fi

+}% end of the macro \set@fusion@tetracap

+%    \end{macrocode}

+% \end{macro}

+%

+% \section{Pentamethylene}

+% \subsection{Normal direction}

+%

+% The macro |\pentamethylene| has two arguments |ATOMLIST| and |SUBSLIST| 

+% as well as an optional argument |BONDLIST|.  

+%

+% \begin{macro}{\pentamethylene}

+% \begin{macro}{\@pentamethylene}

+%

+% \begin{verbatim}

+%

+%       bbb     ddd

+%        2       4

+%     a /  ` b  / c` d (or uppercase letters)

+%      /    `  /    `

+%     1      3        5

+%    aaa    ccc

+% \end{verbatim}

+%

+%

+% \begin{verbatim}

+% \pentamethylene[BONDLIST]{ATOMLIST}{SUBSLIST}

+% \end{verbatim}

+%

+% The |BONDLIST| argument contains one character selected from 

+% a to d (or A to D), 

+% each of which indicates the presence of an inner (endcyclic) double 

+% bond on the corresponding position.  A lowercase letter is used 

+% to typeset a double bond at a lower-side of an outer skeletal bond, 

+% while an uppercase letter typesets a double bond at a upper-side of 

+% an outer skeletal bond.  

+% (Note that the option `A' represents an aromatic circle in 

+% commands |\sixheterov| etc.)  

+%

+% \begin{verbatim}

+%     BONDLIST = 

+%

+%           [] or none :  no double bond

+%           a          :  1,2-double bond

+%           A          :  1,2-double bond in an opposite side

+%           b          :  2,3-double bond 

+%           B          :  2,3-double bond in an opposite side

+%           c          :  3,4-double bond 

+%           C          :  3,4-double bond in an opposite side

+%           d          :  4,5-double bond 

+%           D          :  4,5-double bond in an opposite side

+% \end{verbatim}

+%

+% The |ATOMLIST| argument contains one or more heteroatom descriptors 

+% which are separated from each other by a semicolon.  Each heteroatom 

+% descriptor consists of a locant number and a heteroatom, 

+% where these are separated with a double equality symbol. 

+%

+% \begin{verbatim}

+%

+%     ATOMLIST: list of heteroatoms (max 5 atoms)

+%

+%       for n = 1 to 5

+%

+%           n==?    : Hetero atom, e.g. N, O, etc. at n-position, 

+%                        e.g. 1==N for N at 1-position

+% \end{verbatim}

+%

+% The |SUBSLIST| argument contains one or more substitution descriptors 

+% which are separated from each other by a semicolon.  Each substitution 

+% descriptor has a locant number with a bond modifier and a substituent, 

+% where these are separated with a double equality symbol. 

+% \begin{verbatim}

+%

+%     SUBSLIST: list of substituents

+%

+%       for n = 1 to 5

+%

+%           nD         :  exocyclic double bond at n-atom

+%           n or nS    :  exocyclic single bond at n-atom

+%           nA         :  alpha single bond at n-atom

+%           nB         :  beta single bond at n-atom

+%           nSA        :  alpha single bond at n-atom (boldface)

+%           nSB        :  beta single bond at n-atom (dotted line)

+%           nSa        :  alpha (not specified) single bond at n-atom

+%           nSb        :  beta (not specified) single bond at n-atom

+%           nW         :  terminal single bond (n=1 or 5)

+%

+% \end{verbatim}

+%

+% Several examples are shown as follows.

+% \begin{verbatim}

+%       e.g. 

+%        

+%        \pentamethylene{1==N}{1==Cl;2==F}

+%        \pentamethylene[b]{1==N}{1==Cl;4==F;2==CH$_{3}$}

+% \end{verbatim}

+%

+% The definition of |\pentamethylene| uses a picture environment and 

+% is based on two |\@@trimethylene| commands, each of which

+% is consist of the following unit processes: 

+% \begin{enumerate}

+% \item adjusting substitution site by 

+%       |\yltrimethyleneposition| 

+% \item treating atom list, 

+%       placing outer skeletons, inner double bonds, 

+%       setting hetero atoms, and 

+%       placing substituents by |\@@trimethylene|. 

+% \end{enumerate}

+%

+%    \begin{macrocode}

+\def\pentamethylene{%

+\@ifnextchar[{\@pentamethylene[@}{\@pentamethylene[]}}

+\def\@pentamethylene[#1]#2#3{%

+\iniflag\iniatom%

+\@reset@ylsw%

+{\@linterchainswfalse%

+\@rinterchainswtrue%

+\yltrimethyleneposition{#2}{#3}{0}{0}}%

+\if@ylsw \ifx\@@ylii\empty

+\def\@@ylii{0}\def\@@yli{0}\fi

+\else

+{\@rinterchainswfalse%

+\@linterchainswtrue%

+\yltrimethyleneposition{#2}{#3}{1}{-2}}%

+\if@ylsw \ifx\@@ylii\empty

+\def\@@ylii{-342}\def\@@yli{0}\fi\fi

+\fi

+\if@ylsw

+ \yl@shiftii=\@ylii

+ \yl@shifti=\@yli

+ \advance\yl@shiftii\@@ylii

+ \advance\yl@shifti\@@yli

+ \advance\yl@shiftii\yl@xdiff

+ \advance\yl@shifti\yl@ydiff

+ \begin{picture}(0,0)(-\yl@shiftii,-\yl@shifti)

+ \reset@yl@xydiff%1999/1/6 by S. Fujita

+\else

+\begin{picture}(1100,480)(-200,-180)

+  \iforigpt \put(-200,-180){\circle*{50}}%

+           \put(0,0){\circle{50}}% 

+   \typeout{command `pentamethylene' origin: %

+    (0,0) ---> (200,180)}\fi%

+\fi%

+{\reset@double%

+\@tfor\member:=#1\do{%

+\if\member a\relax 

+\@adoublebondtrue

+\else\if\member b\relax 

+\@bdoublebondtrue

+\else\if\member A\relax 

+\@Adoublebondtrue

+\else\if\member B\relax 

+\@Bdoublebondtrue

+\else\if\member c\relax%dummy

+\else\if\member C\relax%dummy

+\else\if\member d\relax%dummy

+\else\if\member D\relax%dummy

+\else

+  \expandafter\twoCH@@R\member//%

+    \set@fusion@pentameth% for all bonds

+\fi\fi\fi\fi

+\fi\fi\fi\fi}%

+\@wrongbdWatrue

+\@wrongbdWdtrue

+\put(0,0){\@@trimethylene{#2}{#3}{0}{0}}}%

+{\reset@double%

+\@tfor\member:=#1\do{%

+\if\member c\relax 

+\@adoublebondtrue

+\else\if\member d\relax 

+\@bdoublebondtrue

+\else\if\member C\relax 

+\@Adoublebondtrue

+\else\if\member D\relax 

+\@Bdoublebondtrue

+\fi\fi\fi\fi}%

+\@wrongbdWatrue

+\@wrongbdWdfalse

+\put(342,0){\@@trimethylene{#2}{#3}{1}{-2}}}%

+\end{picture}}% end of \pentamethylene

+%    \end{macrocode}

+% \end{macro}

+% \end{macro}

+%

+% The inner command |\set@fusion@pentameth| is used for typesetting 

+% a fused ring at each bond represented by |\@@tmpa|.  Warnings 

+% concerning mismatched ring-fusions are based on the command 

+% |\FuseWarning|. 

+%

+% \begin{macro}{\set@fusion@pentameth}

+% \changes{v2.00}{1998/12/21}{New command: \cs{set@fusion@pentameth}}
+%    \begin{macrocode}

+\def\set@fusion@pentameth{%

+% %%%%%%%%%%%%%%%%%%%%%

+% % inner bond fusion %

+% %%%%%%%%%%%%%%%%%%%%%

+\if\@@tmpa a\relax%

+        \putlratom{0}{0}{\@@tmpb}%     % bond fused

+        \FuseWarning{-171}{-103}%

+          {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{a}%

+      \else\if\@@tmpa A\relax%

+        \putlratom{171}{103}{\@@tmpb}%       % bond fused

+        \FuseWarning{171}{103}%

+          {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{A}%

+      \else\if\@@tmpa b\relax%

+        \putlratom{171}{103}{\@@tmpb}%       % bond fused

+        \FuseWarning{-171}{103}%

+          {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{b}%

+      \else\if\@@tmpa B\relax%

+        \putlratom{342}{0}{\@@tmpb}%    % bond fused

+        \FuseWarning{171}{-103}%

+          {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{B}%

+      \else\if\@@tmpa c\relax%

+        \putlratom{342}{0}{\@@tmpb}%     % bond fused

+        \FuseWarning{-171}{-103}%

+          {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{c}%

+      \else\if\@@tmpa C\relax%

+        \putlratom{513}{103}{\@@tmpb}%       % bond fused

+        \FuseWarning{171}{103}%

+          {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{C}%

+      \else\if\@@tmpa d\relax%

+        \putlratom{513}{103}{\@@tmpb}%     % bond fused

+        \FuseWarning{-171}{103}%

+          {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{d}%

+      \else\if\@@tmpa D\relax%

+        \putlratom{684}{0}{\@@tmpb}%       % bond fused

+        \FuseWarning{171}{-103}%

+          {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{D}%

+   \fi\fi\fi\fi

+   \fi\fi\fi\fi

+}% end of the macro \set@fusion@pentameth

+%    \end{macrocode}

+% \end{macro}

+%

+% \subsection{Inverse direction}

+%

+% The macro |\pentamethylenei| has two arguments |ATOMLIST| and |SUBSLIST| 

+% as well as an optional argument |BONDLIST|.  

+%

+% \begin{macro}{\pentamethylenei}

+% \begin{macro}{\@pentamethylenei}

+%

+% \begin{verbatim}

+%

+%             (aaa)

+%  aaa      ccc      eee (ccc)

+%    1       3        5

+%   a `   b /  ` c   / d

+%       `  /    `   /

+%        2        4

+%       bbb       ddd (bbb)

+% \end{verbatim}

+%

+% \begin{verbatim}

+% \pentamethylenei[BONDLIST]{ATOMLIST}{SUBSLIST}

+% \end{verbatim}

+%

+% The |BONDLIST| argument contains one character selected from 

+% a to d (or A to D), 

+% each of which indicates the presence of an inner (endcyclic) double 

+% bond on the corresponding position.  A lowercase letter is used 

+% to typeset a double bond at the upper-side of an outer skeletal bond, 

+% while an uppercase letter typesets a double bond at the lower-side of 

+% an outer skeletal bond.  

+% (Note that the option `A' represents an aromatic circle in 

+% commands |\sixheterov| etc.)  

+%

+% \begin{verbatim}

+%     BONDLIST = 

+%

+%           [] or none :  no double bond

+%           a          :  1,2-double bond

+%           A          :  1,2-double bond in an opposite side

+%           b          :  2,3-double bond 

+%           B          :  2,3-double bond in an opposite side

+%           c          :  3,4-double bond 

+%           C          :  3,4-double bond in an opposite side

+%           d          :  4,5-double bond 

+%           D          :  4,5-double bond in an opposite side

+% \end{verbatim}

+%

+% The |ATOMLIST| argument contains one or more heteroatom descriptors 

+% which are separated from each other by a semicolon.  Each heteroatom 

+% descriptor consists of a locant number and a heteroatom, 

+% where these are separated with a double equality symbol. 

+%

+% \begin{verbatim}

+%

+%     ATOMLIST: list of heteroatoms (max 5 atoms)

+%

+%       for n = 1 to 5

+%

+%           n==?    : Hetero atom, e.g. N, O, etc. at n-position, 

+%                        e.g. 1==N for N at 1-position

+% \end{verbatim}

+%

+% The |SUBSLIST| argument contains one or more substitution descriptors 

+% which are separated from each other by a semicolon.  Each substitution 

+% descriptor has a locant number with a bond modifier and a substituent, 

+% where these are separated with a double equality symbol. 

+% \begin{verbatim}

+%

+%     SUBSLIST: list of substituents

+%

+%       for n = 1 to 5

+%

+%           nD         :  exocyclic double bond at n-atom

+%           n or nS    :  exocyclic single bond at n-atom

+%           nA         :  alpha single bond at n-atom

+%           nB         :  beta single bond at n-atom

+%           nSA        :  alpha single bond at n-atom (boldface)

+%           nSB        :  beta single bond at n-atom (dotted line)

+%           nSa        :  alpha (not specified) single bond at n-atom

+%           nSb        :  beta (not specified) single bond at n-atom

+%           nW         :  terminal single bond (n=1 or 5)

+%

+% \end{verbatim}

+%

+% Several examples are shown as follows.

+% \begin{verbatim}

+%       e.g. 

+%        

+%        \pentamethylenei{1==N}{1==Cl;2==F}

+%        \pentamethylenei[b]{1==N}{1==Cl;4==F;2==CH$_{3}$}

+% \end{verbatim}

+%

+% The definition of |\pentamethylenei| uses a picture environment and 

+% is based on two |\@@trimethylenei| commands, each of which

+% is consist of the following unit processes: 

+% \begin{enumerate}

+% \item adjusting substitution site by 

+%       |\yltrimethyleneiposition| 

+% \item treating atom list, 

+%       placing outer skeletons, inner double bonds, 

+%       setting hetero atoms, and 

+%       placing substituents by |\@@trimethylenei|. 

+% \end{enumerate}

+%

+%    \begin{macrocode}

+\def\pentamethylenei{%

+\@ifnextchar[{\@pentamethylenei[@}{\@pentamethylenei[]}}

+\def\@pentamethylenei[#1]#2#3{%

+\iniflag\iniatom%

+\@reset@ylsw%

+{\@linterchainswfalse%

+\@rinterchainswtrue%

+\yltrimethyleneiposition{#2}{#3}{0}{0}}%

+\if@ylsw \ifx\@@ylii\empty

+\def\@@ylii{0}\def\@@yli{0}\fi

+\else

+{\@rinterchainswfalse%

+\@linterchainswtrue%

+\yltrimethyleneiposition{#2}{#3}{1}{-2}}%

+\if@ylsw \ifx\@@ylii\empty

+\def\@@ylii{-342}\def\@@yli{0}\fi\fi

+\fi

+\if@ylsw

+ \yl@shiftii=\@ylii

+ \yl@shifti=\@yli

+ \advance\yl@shiftii\@@ylii

+ \advance\yl@shifti\@@yli

+ \advance\yl@shiftii\yl@xdiff

+ \advance\yl@shifti\yl@ydiff

+ \begin{picture}(0,0)(-\yl@shiftii,-\yl@shifti)

+ \reset@yl@xydiff%1999/1/6 by S. Fujita

+\else

+\begin{picture}(1100,480)(-200,-180)

+  \iforigpt \put(-200,-180){\circle*{50}}%

+           \put(0,0){\circle{50}}% 

+   \typeout{command `pentamethylene' origin: %

+    (0,0) ---> (200,180)}\fi%

+\fi%

+{\reset@double%

+\@tfor\member:=#1\do{%

+\if\member a\relax 

+\@adoublebondtrue

+\else\if\member b\relax 

+\@bdoublebondtrue

+\else\if\member A\relax 

+\@Adoublebondtrue

+\else\if\member B\relax 

+\@Bdoublebondtrue

+\else\if\member c\relax%dummy

+\else\if\member C\relax%dummy

+\else\if\member d\relax%dummy

+\else\if\member D\relax%dummy

+\else

+  \expandafter\twoCH@@R\member//%

+    \set@fusion@pentamethi% for all bonds

+\fi\fi\fi\fi

+\fi\fi\fi\fi}%

+\@wrongbdWatrue

+\@wrongbdWdtrue

+\put(0,0){\@@trimethylenei{#2}{#3}{0}{0}}}%

+{\reset@double%

+\@tfor\member:=#1\do{%

+\if\member c\relax 

+\@adoublebondtrue

+\else\if\member d\relax 

+\@bdoublebondtrue

+\else\if\member C\relax 

+\@Adoublebondtrue

+\else\if\member D\relax 

+\@Bdoublebondtrue

+\fi\fi\fi\fi}%

+\@wrongbdWafalse

+\@wrongbdWdtrue

+\put(342,0){\@@trimethylenei{#2}{#3}{1}{-2}}}

+\end{picture}}% end of \pentamethylenei

+%    \end{macrocode}

+% \end{macro}

+% \end{macro}

+%

+% The inner command |\set@fusion@pentamethi| is used for typesetting 

+% a fused ring at each bond represented by |\@@tmpa|.  Warnings 

+% concerning mismatched ring-fusions are based on the command 

+% |\FuseWarning|. 

+%

+% \begin{macro}{\set@fusion@pentamethi}

+% \changes{v2.00}{1998/12/21}{New command: \cs{set@fusion@pentamethi}}
+%    \begin{macrocode}

+\def\set@fusion@pentamethi{%

+% %%%%%%%%%%%%%%%%%%%%%

+% % inner bond fusion %

+% %%%%%%%%%%%%%%%%%%%%%

+\if\@@tmpa a\relax%

+        \putlratom{0}{103}{\@@tmpb}%     % bond fused

+        \FuseWarning{-171}{103}%

+          {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{a}%

+      \else\if\@@tmpa A\relax%

+        \putlratom{171}{0}{\@@tmpb}%       % bond fused

+        \FuseWarning{171}{-103}%

+          {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{A}%

+      \else\if\@@tmpa b\relax%

+        \putlratom{171}{0}{\@@tmpb}%       % bond fused

+        \FuseWarning{-171}{-103}%

+          {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{b}%

+      \else\if\@@tmpa B\relax%

+        \putlratom{342}{103}{\@@tmpb}%    % bond fused

+        \FuseWarning{171}{103}%

+          {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{B}%

+      \else\if\@@tmpa c\relax%

+        \putlratom{342}{103}{\@@tmpb}%     % bond fused

+        \FuseWarning{-171}{103}%

+          {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{c}%

+      \else\if\@@tmpa C\relax%

+        \putlratom{513}{0}{\@@tmpb}%       % bond fused

+        \FuseWarning{171}{103}%

+          {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{C}%

+      \else\if\@@tmpa d\relax%

+        \putlratom{513}{0}{\@@tmpb}%     % bond fused

+        \FuseWarning{-171}{-103}%

+          {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{d}%

+      \else\if\@@tmpa D\relax%

+        \putlratom{684}{103}{\@@tmpb}%       % bond fused

+        \FuseWarning{171}{103}%

+          {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{D}%

+   \fi\fi\fi\fi

+   \fi\fi\fi\fi

+}% end of the macro \set@fusion@pentamethi

+%    \end{macrocode}

+% \end{macro}

+%

+% \section{Switches for Selecting Normal and Inverse Directions}

+%

+% The switch |\@normorinvsw| is used to select normal or 

+% inverse direction in the definition of commands for drawing 

+% hexametylenes and higher homologs. The value of this switch is 

+% false for normal direction and true for inverse direction. 

+%

+% \begin{macro}{\if@normorinvsw}

+%    \begin{macrocode}

+\newif\if@normorinvsw \@normorinvswfalse

+%    \end{macrocode}

+% \end{macro}

+%

+% The macro |\set@normaldirection| assigns active commands to 

+% temporary commands in the definition of a command for drawing 

+% hexametylenes or higher homologs of normal direction. 

+% \begin{macro}{\set@normaldirection}

+%    \begin{macrocode}

+\def\set@normaldirection{%

+\@normorinvswfalse

+\let\@yltrinormorinv=\yltrimethyleneposition

+\let\@yldinormorinv=\yldimethyleneposition

+\let\@@trinormorinv=\@@trimethylene

+\let\@@dinormorinv=\@@dimethylene}

+%    \end{macrocode}

+% \end{macro}

+%

+% The macro |\set@inversedirection| assigns active commands to 

+% temporary commands in the definition of a command for drawing 

+% hexametylenes or higher homologs of inverse direction. 

+% \begin{macro}{\set@inversedirection}

+%    \begin{macrocode}

+\def\set@inversedirection{%

+\@normorinvswtrue

+\let\@yltrinormorinv=\yltrimethyleneiposition

+\let\@yldinormorinv=\yldimethyleneiposition

+\let\@@trinormorinv=\@@trimethylenei

+\let\@@dinormorinv=\@@dimethylenei}

+%    \end{macrocode}

+% \end{macro}

+%

+% \section{Hexamethylenes of normal and inverse direction}

+%

+% Hexamethylene and hetera derivatives are typeset with the commands

+% |\hexamethylene| and |\hexamethylenei|. The former macro 

+% is to draw hexamethylenes of normal direction, while the latter 

+% is to draw ones of inverse directions. 

+%

+% \begin{verbatim}

+%  Normal direction:

+%

+%              (bbb)     ((bbb))

+%       bbb     ddd      fff

+%        2       4        6

+%     a /  ` b  / c` d   / e

+%      /    `  /    `   /

+%     1      3        5

+%    aaa    ccc      eee

+%           (aaa)    (ccc)

+%                    ((aaa))

+%

+%  Inverse direction:

+%

+%             (aaa)

+%  aaa      ccc      eee (ccc) ((aaa))

+%    1       3        5

+%   a `   b /  ` c   / d ` e

+%       `  /    `   /     `

+%        2        4         6

+%       bbb       ddd (bbb) fff((bbb))

+% \end{verbatim}

+%

+% The macros  have  two arguments |ATOMLIST| and |SUBSLIST| 

+% as well as an optional argument |BONDLIST|.  

+%

+% \begin{verbatim}

+% \hexamethylene[BONDLIST]{ATOMLIST}{SUBSLIST}

+% \hexamethylenei[BONDLIST]{ATOMLIST}{SUBSLIST}

+% \end{verbatim}

+%

+% The |BONDLIST| argument contains one character selected from 

+% a to e (or A to E), 

+% each of which indicates the presence of an inner (endcyclic) double 

+% bond on the corresponding position.  A lowercase letter is used 

+% to typeset a double bond at the upper-side of an outer skeletal bond, 

+% while an uppercase letter typesets a double bond at the lower-side of 

+% an outer skeletal bond.  

+% (Note that the option `A' represents an aromatic circle in 

+% commands |\sixheterov| etc.)  

+%

+% \begin{verbatim}

+%     BONDLIST = 

+%

+%           [] or none :  no double bond

+%           a          :  1,2-double bond

+%           A          :  1,2-double bond in an opposite side

+%           b          :  2,3-double bond 

+%           B          :  2,3-double bond in an opposite side

+%           c          :  3,4-double bond 

+%           C          :  3,4-double bond in an opposite side

+%           d          :  4,5-double bond 

+%           D          :  4,5-double bond in an opposite side

+%           e          :  5,6-double bond 

+%           E          :  5,6-double bond in an opposite side

+% \end{verbatim}

+%

+% The |ATOMLIST| argument contains one or more heteroatom descriptors 

+% which are separated from each other by a semicolon.  Each heteroatom 

+% descriptor consists of a locant number and a heteroatom, 

+% where these are separated with a double equality symbol. 

+%

+% \begin{verbatim}

+%

+%     ATOMLIST: list of heteroatoms (max 6 atoms)

+%

+%       for n = 1 to 6

+%

+%           n==?    : Hetero atom, e.g. N, O, etc. at n-position, 

+%                        e.g. 1==N for N at 1-position

+% \end{verbatim}

+%

+% The |SUBSLIST| argument contains one or more substitution descriptors 

+% which are separated from each other by a semicolon.  Each substitution 

+% descriptor has a locant number with a bond modifier and a substituent, 

+% where these are separated with a double equality symbol. 

+% \begin{verbatim}

+%

+%     SUBSLIST: list of substituents

+%

+%       for n = 1 to 6

+%

+%           nD         :  exocyclic double bond at n-atom

+%           n or nS    :  exocyclic single bond at n-atom

+%           nA         :  alpha single bond at n-atom

+%           nB         :  beta single bond at n-atom

+%           nSA        :  alpha single bond at n-atom (boldface)

+%           nSB        :  beta single bond at n-atom (dotted line)

+%           nSa        :  alpha (not specified) single bond at n-atom

+%           nSb        :  beta (not specified) single bond at n-atom

+%           nW         :  terminal single bond (n=1 or 6)

+%

+% \end{verbatim}

+%

+% Several examples are shown as follows.

+% \begin{verbatim}

+%       e.g. 

+%        

+%        \hexamethylene{1==N}{1==Cl;2==F}

+%        \hexamethylenei[b]{1==N}{1==Cl;4==F;2==CH$_{3}$}

+% \end{verbatim}

+%

+% The macros |\hexamethylene| and |\hexamethylenei| are 

+% based on a common inner macro |\@hexamethylene|, 

+% the definition of which uses a picture environment. 

+%

+% \begin{macro}{\hexamethylene}

+%    \begin{macrocode}

+\def\hexamethylene{%

+\@ifnextchar[{\set@normaldirection\@hexamethylene[@}{%

+\set@normaldirection\@hexamethylene[]}}

+%    \end{macrocode}

+% \end{macro}

+%

+% \begin{macro}{\hexamethylenei}

+%    \begin{macrocode}

+\def\hexamethylenei{%

+\@ifnextchar[{\set@inversedirection\@hexamethylene[@}{%

+\set@inversedirection\@hexamethylene[]}}

+%    \end{macrocode}

+% \end{macro}

+%

+% Inner temporary commands such as |\@@trinormorinv| and 

+% |\@@dinormorinv| in the common |\@hexamethylene| macro 

+% are replaced by active commands such as |\@@trimethylene| and 

+% |\@@dimethylene|. They carry out the following unit processes.  

+% \begin{enumerate}

+% \item Adjusting substitution site:  

+%    |\yltrimethyleneposition| 

+%       or |\yldimethyleneposition| for normal direction; 

+%    |\yltrimethyleneiposition| 

+%       or |\yldimethyleneiposition| for inverse direction. 

+% \item Treating atom list, 

+%       placing outer skeletons, inner double bonds, 

+%       setting hetero atoms, and 

+%       placing substituents:  

+%        |\@@trimethylene| 

+%           or |\@@dimethylene| for normal direction; 

+%        |\@@trimethylenei| 

+%           or |\@@dimethylenei| for normal direction. 

+% \end{enumerate}

+%

+% \begin{macro}{\@hexamethylene}

+%    \begin{macrocode}

+\def\@hexamethylene[#1]#2#3{%

+\iniflag\iniatom%

+\@reset@ylsw%

+{\@linterchainswfalse%

+\@rinterchainswtrue%

+\@yltrinormorinv{#2}{#3}{0}{0}}%

+\if@ylsw \ifx\@@ylii\empty

+\def\@@ylii{0}\def\@@yli{0}\fi

+\else

+{\@rinterchainswtrue%

+\@linterchainswtrue%

+\@yltrinormorinv{#2}{#3}{1}{-2}}%

+\fi

+\if@ylsw \ifx\@@ylii\empty

+\def\@@ylii{-342}\def\@@yli{0}\fi

+\else

+{\@rinterchainswfalse%

+\@linterchainswtrue%

+\@yldinormorinv{#2}{#3}{1}{-4}}%

+\fi

+\if@ylsw \ifx\@@ylii\empty

+\def\@@ylii{-684}\def\@@yli{0}\fi\fi

+\if@ylsw

+ \yl@shiftii=\@ylii

+ \yl@shifti=\@yli

+ \advance\yl@shiftii\@@ylii

+ \advance\yl@shifti\@@yli

+ \advance\yl@shiftii\yl@xdiff

+ \advance\yl@shifti\yl@ydiff

+ \begin{picture}(0,0)(-\yl@shiftii,-\yl@shifti)

+ \reset@yl@xydiff%1999/1/6 by S. Fujita

+\else

+\begin{picture}(1100,480)(-200,-180)

+  \iforigpt \put(-200,-180){\circle*{50}}%

+           \put(0,0){\circle{50}}% 

+   \typeout{command `hexamethylene' origin: %

+    (0,0) ---> (200,180)}\fi%

+\fi%

+{\reset@double%

+\@tfor\member:=#1\do{%

+\if\member a\relax 

+\@adoublebondtrue

+\else\if\member b\relax 

+\@bdoublebondtrue

+\else\if\member A\relax 

+\@Adoublebondtrue

+\else\if\member B\relax 

+\@Bdoublebondtrue

+\else\if\member c\relax%dummy

+\else\if\member C\relax%dummy

+\else\if\member d\relax%dummy

+\else\if\member D\relax%dummy

+\else\if\member e\relax%dummy

+\else\if\member E\relax%dummy

+\else

+  \expandafter\twoCH@@R\member//%

+    \set@fusion@hexameth% for all bonds

+\fi\fi\fi\fi\fi\fi

+\fi\fi\fi\fi}%

+\@wrongbdWatrue

+\@wrongbdWdtrue

+\put(0,0){\@@trinormorinv{#2}{#3}{0}{0}}}%

+{\reset@double%

+\@tfor\member:=#1\do{%

+\if\member c\relax 

+\@adoublebondtrue

+\else\if\member d\relax 

+\@bdoublebondtrue

+\else\if\member C\relax 

+\@Adoublebondtrue

+\else\if\member D\relax 

+\@Bdoublebondtrue

+\fi\fi\fi\fi}%

+\@wrongbdWatrue

+\@wrongbdWdtrue

+\put(342,0){\@@trinormorinv{#2}{#3}{1}{-2}}}%

+{\reset@double%

+\@tfor\member:=#1\do{%

+\if\member e\relax 

+\@adoublebondtrue

+\else\if\member E\relax 

+\@Adoublebondtrue

+\fi\fi}%

+\if@normorinvsw% inverse

+ \@wrongbdWatrue

+ \@wrongbdWdfalse

+\else% normal

+ \@wrongbdWafalse

+ \@wrongbdWdtrue

+\fi

+\put(684,0){\@@dinormorinv{#2}{#3}{1}{-4}}}%

+\end{picture}}% end of \@hexamethylene

+%    \end{macrocode}

+% \end{macro}

+%

+% The inner command |\set@fusion@hexameth| is used for typesetting 

+% a fused ring at each bond represented by |\@@tmpa|.  Warnings 

+% concerning mismatched ring-fusions are based on the command 

+% |\FuseWarning|. 

+%

+% \begin{macro}{\set@fusion@hexameth}

+% \changes{v2.00}{1998/12/21}{New command: \cs{set@fusion@hexameth}}
+%    \begin{macrocode}

+\def\set@fusion@hexameth{%

+% %%%%%%%%%%%%%%%%%%%%%

+% % inner bond fusion %

+% %%%%%%%%%%%%%%%%%%%%%

+\if@normorinvsw

+  \if\@@tmpa e\relax%

+        \putlratom{684}{103}{\@@tmpb}%     % bond fused

+        \FuseWarning{-171}{103}%

+          {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{e}%

+      \else\if\@@tmpa E\relax%

+        \putlratom{855}{0}{\@@tmpb}%       % bond fused

+        \FuseWarning{171}{-103}%

+          {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{E}%

+      \else

+        \set@fusion@pentamethi

+  \fi\fi

+\else

+  \if\@@tmpa e\relax%

+        \putlratom{684}{0}{\@@tmpb}%     % bond fused

+        \FuseWarning{-171}{-103}%

+          {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{e}%

+      \else\if\@@tmpa E\relax%

+        \putlratom{855}{103}{\@@tmpb}%       % bond fused

+        \FuseWarning{171}{103}%

+          {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{E}%

+      \else

+        \set@fusion@pentameth

+  \fi\fi

+\fi

+}% end of the macro \set@fusion@hexameth

+%    \end{macrocode}

+% \end{macro}

+%

+% \section{Heptamethylenes of normal and inverse direction}

+%

+% Heptamethylene and hetera derivatives are typeset with the commands

+% |\heptamethylene| and |\heptamethylenei|. The former macro 

+% is to draw heptamethylenes of normal direction, while the latter 

+% is to draw ones of inverse directions. 

+%

+% \begin{verbatim}

+%  Normal direction:

+%

+%              (bbb)     ((bbb))

+%       bbb     ddd      fff

+%        2       4        6

+%     a /  ` b  / c` d   / e ` f

+%      /    `  /    `   /     `

+%     1      3        5        7

+%    aaa    ccc      eee       gggg

+%           (aaa)    (ccc)     ((ccc))

+%                    ((aaa))

+%

+%  Inverse direction:

+%

+%             (aaa)       ((aaa)) ((ccc))

+%  aaa      ccc      eee (ccc)    ggg

+%    1       3        5           7

+%   a `   b /  ` c   / d ` e     /f

+%       `  /    `   /     `    /

+%        2        4         6

+%       bbb       ddd (bbb) fff((bbb))

+%             (aaa)

+% \end{verbatim}

+%

+% The macros have two arguments |ATOMLIST| and |SUBSLIST| 

+% as well as an optional argument |BONDLIST|.  

+% \begin{verbatim}

+% \heptamethylene[BONDLIST]{ATOMLIST}{SUBSLIST}

+% \heptamethylenei[BONDLIST]{ATOMLIST}{SUBSLIST}

+% \end{verbatim}

+%

+% The |BONDLIST| argument contains one character selected from 

+% a to f (or A to F), 

+% each of which indicates the presence of an inner (endcyclic) double 

+% bond on the corresponding position.  A lowercase letter is used 

+% to typeset a double bond at the upper-side of an outer skeletal bond, 

+% while an uppercase letter typesets a double bond at the lower-side of 

+% an outer skeletal bond.  

+% (Note that the option `A' represents an aromatic circle in 

+% commands |\sixheterov| etc.)  

+%

+% \begin{verbatim}

+%     BONDLIST = 

+%

+%           [] or none :  no double bond

+%           a          :  1,2-double bond

+%           A          :  1,2-double bond in an opposite side

+%           b          :  2,3-double bond 

+%           B          :  2,3-double bond in an opposite side

+%           c          :  3,4-double bond 

+%           C          :  3,4-double bond in an opposite side

+%           d          :  4,5-double bond 

+%           D          :  4,5-double bond in an opposite side

+%           e          :  5,6-double bond 

+%           E          :  5,6-double bond in an opposite side

+%           f          :  6,7-double bond 

+%           F          :  6,7-double bond in an opposite side

+% \end{verbatim}

+%

+% The |ATOMLIST| argument contains one or more heteroatom descriptors 

+% which are separated from each other by a semicolon.  Each heteroatom 

+% descriptor consists of a locant number and a heteroatom, 

+% where these are separated with a double equality symbol. 

+%

+% \begin{verbatim}

+%

+%     ATOMLIST: list of heteroatoms (max 7 atoms)

+%

+%       for n = 1 to 7

+%

+%           n==?    : Hetero atom, e.g. N, O, etc. at n-position, 

+%                        e.g. 1==N for N at 1-position

+% \end{verbatim}

+%

+% The |SUBSLIST| argument contains one or more substitution descriptors 

+% which are separated from each other by a semicolon.  Each substitution 

+% descriptor has a locant number with a bond modifier and a substituent, 

+% where these are separated with a double equality symbol. 

+% \begin{verbatim}

+%

+%     SUBSLIST: list of substituents

+%

+%       for n = 1 to 7

+%

+%           nD         :  exocyclic double bond at n-atom

+%           n or nS    :  exocyclic single bond at n-atom

+%           nA         :  alpha single bond at n-atom

+%           nB         :  beta single bond at n-atom

+%           nSA        :  alpha single bond at n-atom (boldface)

+%           nSB        :  beta single bond at n-atom (dotted line)

+%           nSa        :  alpha (not specified) single bond at n-atom

+%           nSb        :  beta (not specified) single bond at n-atom

+%           nW         :  terminal single bond (n=1 or 7)

+%

+% \end{verbatim}

+%

+% Several examples are shown as follows.

+% \begin{verbatim}

+%       e.g. 

+%        

+%        \heptamethylene{1==N}{1==Cl;2==F}

+%        \heptamethylenei[b]{1==N}{1==Cl;4==F;2==CH$_{3}$}

+% \end{verbatim}

+%

+% The macros |\heptamethylene| and |\heptamethylenei| are 

+% based on a common inner macro |\@heptamethylene|, 

+% the definition of which uses a picture environment. 

+%

+% \begin{macro}{\heptamethylene}

+%    \begin{macrocode}

+\def\heptamethylene{%

+\@ifnextchar[{\set@normaldirection\@heptamethylene[@}{%

+\set@normaldirection\@heptamethylene[]}}

+%    \end{macrocode}

+% \end{macro}

+%

+% \begin{macro}{\heptamethylenei}

+%    \begin{macrocode}

+\def\heptamethylenei{%

+\@ifnextchar[{\set@inversedirection\@heptamethylene[@}{%

+\set@inversedirection\@heptamethylene[]}}

+%    \end{macrocode}

+% \end{macro}

+%

+% Inner temporary commands such as |\@@trinormorinv| and 

+% |\@@dinormorinv| in the common |\@heptamethylene| macro 

+% are replaced by active commands such as |\@@trimethylene| and 

+% |\@@dimethylene|. They carry out the following unit processes.  

+% \begin{enumerate}

+% \item Adjusting substitution site:  

+%    |\yltrimethyleneposition| 

+%       or |\yldimethyleneposition| for normal direction; 

+%    |\yltrimethyleneiposition| 

+%       or |\yldimethyleneiposition| for inverse direction. 

+% \item Treating atom list, 

+%       placing outer skeletons, inner double bonds, 

+%       setting hetero atoms, and 

+%       placing substituents:  

+%        |\@@trimethylene| 

+%           or |\@@dimethylene| for normal direction; 

+%        |\@@trimethylenei| 

+%           or |\@@dimethylenei| for normal direction. 

+% \end{enumerate}

+%

+% \begin{macro}{\@heptamethylene}

+%    \begin{macrocode}

+\def\@heptamethylene[#1]#2#3{%

+\iniflag\iniatom%

+\@reset@ylsw%

+{\@linterchainswfalse%

+\@rinterchainswtrue%

+\@yltrinormorinv{#2}{#3}{0}{0}}%

+\if@ylsw \ifx\@@ylii\empty

+\def\@@ylii{0}\def\@@yli{0}\fi

+\else

+{\@rinterchainswtrue%

+\@linterchainswtrue%

+\@yltrinormorinv{#2}{#3}{1}{-2}}%

+\fi

+\if@ylsw \ifx\@@ylii\empty

+\def\@@ylii{-342}\def\@@yli{0}\fi

+\else

+{\@rinterchainswfalse%

+\@linterchainswtrue%

+\@yltrinormorinv{#2}{#3}{1}{-4}}%

+\fi

+\if@ylsw \ifx\@@ylii\empty

+\def\@@ylii{-684}\def\@@yli{0}\fi\fi

+\if@ylsw

+ \yl@shiftii=\@ylii

+ \yl@shifti=\@yli

+ \advance\yl@shiftii\@@ylii

+ \advance\yl@shifti\@@yli

+ \advance\yl@shiftii\yl@xdiff

+ \advance\yl@shifti\yl@ydiff

+ \begin{picture}(0,0)(-\yl@shiftii,-\yl@shifti)

+ \reset@yl@xydiff%1999/1/6 by S. Fujita

+\else

+\begin{picture}(1450,480)(-200,-180)

+  \iforigpt \put(-200,-180){\circle*{50}}%

+           \put(0,0){\circle{50}}% 

+   \typeout{command `heptamethylene' origin: %

+    (0,0) ---> (200,180)}\fi%

+\fi%

+{\reset@double%

+\@tfor\member:=#1\do{%

+\if\member a\relax 

+\@adoublebondtrue

+\else\if\member b\relax 

+\@bdoublebondtrue

+\else\if\member A\relax 

+\@Adoublebondtrue

+\else\if\member B\relax 

+\@Bdoublebondtrue

+\else\if\member c\relax%dummy

+\else\if\member C\relax%dummy

+\else\if\member d\relax%dummy

+\else\if\member D\relax%dummy

+\else\if\member e\relax%dummy

+\else\if\member E\relax%dummy

+\else\if\member f\relax%dummy

+\else\if\member F\relax%dummy

+\else

+  \expandafter\twoCH@@R\member//%

+    \set@fusion@heptameth% for all bonds

+\fi\fi\fi\fi\fi\fi\fi\fi

+\fi\fi\fi\fi}%

+\@wrongbdWatrue

+\@wrongbdWdtrue

+\put(0,0){\@@trinormorinv{#2}{#3}{0}{0}}}%

+{\reset@double%

+\@tfor\member:=#1\do{%

+\if\member c\relax 

+\@adoublebondtrue

+\else\if\member d\relax 

+\@bdoublebondtrue

+\else\if\member C\relax 

+\@Adoublebondtrue

+\else\if\member D\relax 

+\@Bdoublebondtrue

+\fi\fi\fi\fi}%

+\@wrongbdWatrue

+\@wrongbdWdtrue

+\put(342,0){\@@trinormorinv{#2}{#3}{1}{-2}}}%

+{\reset@double%

+\@tfor\member:=#1\do{%

+\if\member e\relax 

+\@adoublebondtrue

+\else\if\member E\relax 

+\@Adoublebondtrue

+\else\if\member f\relax 

+\@bdoublebondtrue

+\else\if\member F\relax 

+\@Bdoublebondtrue

+\fi\fi\fi\fi}%

+\if@normorinvsw% inverse

+\@wrongbdWafalse

+\@wrongbdWdtrue

+\else%normal

+\@wrongbdWatrue

+\@wrongbdWdfalse

+\fi

+\put(684,0){\@@trinormorinv{#2}{#3}{1}{-4}}}%

+\end{picture}}% end of \@heptamethylene

+%    \end{macrocode}

+% \end{macro}

+%

+% The inner command |\set@fusion@heptameth| is used for typesetting 

+% a fused ring at each bond represented by |\@@tmpa|.  Warnings 

+% concerning mismatched ring-fusions are based on the command 

+% |\FuseWarning|. 

+%

+% \begin{macro}{\set@fusion@heptameth}

+% \changes{v2.00}{1998/12/21}{New command: \cs{set@fusion@heptameth}}
+%    \begin{macrocode}

+\def\set@fusion@heptameth{%

+% %%%%%%%%%%%%%%%%%%%%%

+% % inner bond fusion %

+% %%%%%%%%%%%%%%%%%%%%%

+\if@normorinvsw

+  \if\@@tmpa e\relax%

+        \putlratom{684}{103}{\@@tmpb}%     % bond fused

+        \FuseWarning{-171}{103}%

+          {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{e}%

+      \else\if\@@tmpa E\relax%

+        \putlratom{855}{0}{\@@tmpb}%       % bond fused

+        \FuseWarning{171}{-103}%

+          {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{E}%

+      \else\if\@@tmpa f\relax%

+        \putlratom{855}{0}{\@@tmpb}%     % bond fused

+        \FuseWarning{-171}{-103}%

+          {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{f}%

+      \else\if\@@tmpa F\relax%

+        \putlratom{1027}{103}{\@@tmpb}%       % bond fused

+        \FuseWarning{171}{103}%

+          {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{F}%

+      \else

+        \set@fusion@pentamethi

+  \fi\fi\fi\fi

+\else

+  \if\@@tmpa e\relax%

+        \putlratom{684}{0}{\@@tmpb}%     % bond fused

+        \FuseWarning{-171}{-103}%

+          {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{e}%

+      \else\if\@@tmpa E\relax%

+        \putlratom{855}{103}{\@@tmpb}%       % bond fused

+        \FuseWarning{171}{103}%

+          {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{E}%

+      \else\if\@@tmpa f\relax%

+        \putlratom{855}{103}{\@@tmpb}%     % bond fused

+        \FuseWarning{-171}{103}%

+          {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{f}%

+      \else\if\@@tmpa F\relax%

+        \putlratom{1027}{0}{\@@tmpb}%       % bond fused

+        \FuseWarning{171}{-103}%

+          {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{F}%

+      \else

+        \set@fusion@pentameth

+  \fi\fi\fi\fi

+\fi

+}% end of the macro \set@fusion@heptameth

+%    \end{macrocode}

+% \end{macro}

+%

+% \section{Octamethylenes of normal and inverse directions}

+%

+% Octamethylene and hetera derivatives are typeset with the commands 

+% |\octamethylene| and |\octamethylenei|. The former macro 

+% is to draw octamethylenes of normal direction, while the latter 

+% is to draw ones of inverse directions. 

+%

+% \begin{verbatim}

+%  Normal direction:

+%

+%              (bbb)     ((bbb))  (((bbb)))

+%       bbb     ddd      fff      hhh

+%        2       4        6       8

+%     a /  ` b  / c` d   / e ` f /g

+%      /    `  /    `   /     ` /

+%     1      3        5        7

+%    aaa    ccc      eee       gggg

+%           (aaa)    (ccc)     ((ccc))

+%                    ((aaa))   (((aaa)))

+%

+%  Inverse direction:

+%                                 (((aaa)))

+%             (aaa)       ((aaa)) ((ccc))

+%  aaa      ccc      eee (ccc)    ggg

+%    1       3        5           7

+%   a `   b /  ` c   / d ` e     /f `  g

+%       `  /    `   /     `    /      `

+%        2        4         6          8

+%       bbb       ddd     fff          hhh

+%                 (bbb)   ((bbb))       (((bbb)))

+% \end{verbatim}

+%

+% The macros has two arguments |ATOMLIST| and |SUBSLIST| 

+% as well as an optional argument |BONDLIST|.  

+% \begin{verbatim}

+% \octamethylene[BONDLIST]{ATOMLIST}{SUBSLIST}

+% \octamethylenei[BONDLIST]{ATOMLIST}{SUBSLIST}

+% \end{verbatim}

+%

+% The |BONDLIST| argument contains one character selected from 

+% a to g (or A to G), 

+% each of which indicates the presence of an inner (endcyclic) double 

+% bond on the corresponding position.  A lowercase letter is used 

+% to typeset a double bond at the upper-side of an outer skeletal bond, 

+% while an uppercase letter typesets a double bond at the lower-side of 

+% an outer skeletal bond.  

+% (Note that the option `A' represents an aromatic circle in 

+% commands |\sixheterov| etc.)  

+%

+% \begin{verbatim}

+%     BONDLIST = 

+%

+%           [] or none :  no double bond

+%           a          :  1,2-double bond

+%           A          :  1,2-double bond in an opposite side

+%           b          :  2,3-double bond 

+%           B          :  2,3-double bond in an opposite side

+%           c          :  3,4-double bond 

+%           C          :  3,4-double bond in an opposite side

+%           d          :  4,5-double bond 

+%           D          :  4,5-double bond in an opposite side

+%           e          :  5,6-double bond 

+%           E          :  5,6-double bond in an opposite side

+%           f          :  6,7-double bond 

+%           F          :  6,7-double bond in an opposite side

+%           g          :  7,8-double bond 

+%           G          :  7,8-double bond in an opposite side

+% \end{verbatim}

+%

+% The |ATOMLIST| argument contains one or more heteroatom descriptors 

+% which are separated from each other by a semicolon.  Each heteroatom 

+% descriptor consists of a locant number and a heteroatom, 

+% where these are separated with a double equality symbol. 

+%

+% \begin{verbatim}

+%

+%     ATOMLIST: list of heteroatoms (max 8 atoms)

+%

+%       for n = 1 to 8

+%

+%           n==?    : Hetero atom, e.g. N, O, etc. at n-position, 

+%                        e.g. 1==N for N at 1-position

+% \end{verbatim}

+%

+% The |SUBSLIST| argument contains one or more substitution descriptors 

+% which are separated from each other by a semicolon.  Each substitution 

+% descriptor has a locant number with a bond modifier and a substituent, 

+% where these are separated with a double equality symbol. 

+% \begin{verbatim}

+%

+%     SUBSLIST: list of substituents

+%

+%       for n = 1 to 8

+%

+%           nD         :  exocyclic double bond at n-atom

+%           n or nS    :  exocyclic single bond at n-atom

+%           nA         :  alpha single bond at n-atom

+%           nB         :  beta single bond at n-atom

+%           nSA        :  alpha single bond at n-atom (boldface)

+%           nSB        :  beta single bond at n-atom (dotted line)

+%           nSa        :  alpha (not specified) single bond at n-atom

+%           nSb        :  beta (not specified) single bond at n-atom

+%           nW         :  terminal single bond (n=1 or 8)

+%

+% \end{verbatim}

+%

+% Several examples are shown as follows.

+% \begin{verbatim}

+%       e.g. 

+%        

+%        \octamethylene{1==N}{1==Cl;2==F}

+%        \octamethylenei[b]{1==N}{1==Cl;4==F;2==CH$_{3}$}

+% \end{verbatim}

+%

+% The macros |\octamethylene| and |\octamethylenei| are 

+% based on a common inner macro |\@octamethylene|, 

+% the definition of which uses a picture environment. 

+%

+% \begin{macro}{\octamethylene}

+%    \begin{macrocode}

+\def\octamethylene{%

+\@ifnextchar[{\set@normaldirection\@octamethylene[@}{%

+\set@normaldirection\@octamethylene[]}}

+%    \end{macrocode}

+% \end{macro}

+%

+% \begin{macro}{\octamethylenei}

+%    \begin{macrocode}

+\def\octamethylenei{%

+\@ifnextchar[{\set@inversedirection\@octamethylene[@}{%

+\set@inversedirection\@octamethylene[]}}

+%    \end{macrocode}

+% \end{macro}

+%

+% Inner temporary commands such as |\@@trinormorinv| and 

+% |\@@dinormorinv| in the common |\@octamethylene| macro 

+% are replaced by active commands such as |\@@trimethylene| and 

+% |\@@dimethylene|. They carry out the following unit processes.  

+% \begin{enumerate}

+% \item Adjusting substitution site:  

+%    |\yltrimethyleneposition| 

+%       or |\yldimethyleneposition| for normal direction; 

+%    |\yltrimethyleneiposition| 

+%       or |\yldimethyleneiposition| for inverse direction. 

+% \item Treating atom list, 

+%       placing outer skeletons, inner double bonds, 

+%       setting hetero atoms, and 

+%       placing substituents:  

+%        |\@@trimethylene| 

+%           or |\@@dimethylene| for normal direction; 

+%        |\@@trimethylenei| 

+%           or |\@@dimethylenei| for normal direction. 

+% \end{enumerate}

+%

+% \begin{macro}{\@octamethylene}

+%    \begin{macrocode}

+\def\@octamethylene[#1]#2#3{%

+\iniflag\iniatom%

+\@reset@ylsw%

+{\@linterchainswfalse%

+\@rinterchainswtrue%

+\@yltrinormorinv{#2}{#3}{0}{0}}%

+\if@ylsw \ifx\@@ylii\empty

+\def\@@ylii{0}\def\@@yli{0}\fi

+\else

+{\@rinterchainswtrue%

+\@linterchainswtrue%

+\@yltrinormorinv{#2}{#3}{1}{-2}}%

+\fi

+\if@ylsw \ifx\@@ylii\empty

+\def\@@ylii{-342}\def\@@yli{0}\fi

+\else

+{\@rinterchainswtrue%

+\@linterchainswtrue%

+\@yltrinormorinv{#2}{#3}{1}{-4}}%

+\fi

+\if@ylsw \ifx\@@ylii\empty

+\def\@@ylii{-684}\def\@@yli{0}\fi

+\else

+{\@rinterchainswfalse%

+\@linterchainswtrue%

+\@yldinormorinv{#2}{#3}{1}{-6}}%

+\fi

+\if@ylsw \ifx\@@ylii\empty

+\def\@@ylii{-1026}\def\@@yli{0}\fi\fi

+\if@ylsw

+ \yl@shiftii=\@ylii

+ \yl@shifti=\@yli

+ \advance\yl@shiftii\@@ylii

+ \advance\yl@shifti\@@yli

+ \advance\yl@shiftii\yl@xdiff

+ \advance\yl@shifti\yl@ydiff

+ \begin{picture}(0,0)(-\yl@shiftii,-\yl@shifti)

+ \reset@yl@xydiff%1999/1/6 by S. Fujita

+\else

+\begin{picture}(1620,480)(-200,-180)

+  \iforigpt \put(-200,-180){\circle*{50}}%

+           \put(0,0){\circle{50}}% 

+   \typeout{command `octamethylene' origin: %

+    (0,0) ---> (200,180)}\fi%

+\fi%

+{\reset@double%

+\@tfor\member:=#1\do{%

+\if\member a\relax 

+\@adoublebondtrue

+\else\if\member b\relax 

+\@bdoublebondtrue

+\else\if\member A\relax 

+\@Adoublebondtrue

+\else\if\member B\relax 

+\@Bdoublebondtrue

+\else\if\member c\relax%dummy

+\else\if\member C\relax%dummy

+\else\if\member d\relax%dummy

+\else\if\member D\relax%dummy

+\else\if\member e\relax%dummy

+\else\if\member E\relax%dummy

+\else\if\member f\relax%dummy

+\else\if\member F\relax%dummy

+\else\if\member g\relax%dummy

+\else\if\member G\relax%dummy

+\else

+  \expandafter\twoCH@@R\member//%

+    \set@fusion@octameth% for all bonds

+\fi\fi\fi\fi\fi\fi\fi\fi\fi\fi

+\fi\fi\fi\fi}%

+\@wrongbdWatrue

+\@wrongbdWdtrue

+\put(0,0){\@@trinormorinv{#2}{#3}{0}{0}}}%

+{\reset@double%

+\@tfor\member:=#1\do{%

+\if\member c\relax 

+\@adoublebondtrue

+\else\if\member d\relax 

+\@bdoublebondtrue

+\else\if\member C\relax 

+\@Adoublebondtrue

+\else\if\member D\relax 

+\@Bdoublebondtrue

+\fi\fi\fi\fi}%

+\@wrongbdWatrue

+\@wrongbdWdtrue

+\put(342,0){\@@trinormorinv{#2}{#3}{1}{-2}}}%

+{\reset@double%

+\@tfor\member:=#1\do{%

+\if\member e\relax 

+\@adoublebondtrue

+\else\if\member E\relax 

+\@Adoublebondtrue

+\else\if\member f\relax 

+\@bdoublebondtrue

+\else\if\member F\relax 

+\@Bdoublebondtrue

+\fi\fi\fi\fi}%

+\@wrongbdWatrue

+\@wrongbdWdtrue

+\put(684,0){\@@trinormorinv{#2}{#3}{1}{-4}}}%

+{\reset@double%

+\@tfor\member:=#1\do{%

+\if\member g\relax 

+\@adoublebondtrue

+\else\if\member G\relax 

+\@Adoublebondtrue

+\fi\fi}%

+\if@normorinvsw% inverse

+\@wrongbdWatrue

+\@wrongbdWdfalse

+\else% normal

+\@wrongbdWafalse

+\@wrongbdWdtrue

+\fi

+\put(1026,0){\@@dinormorinv{#2}{#3}{1}{-6}}}%

+\end{picture}}% end of \@octamethylene

+%    \end{macrocode}

+% \end{macro}

+%

+% The inner command |\set@fusion@octameth| is used for typesetting 

+% a fused ring at each bond represented by |\@@tmpa|.  Warnings 

+% concerning mismatched ring-fusions are based on the command 

+% |\FuseWarning|. 

+%

+% \begin{macro}{\set@fusion@octameth}

+% \changes{v2.00}{1998/12/21}{New command: \cs{set@fusion@octameth}}
+%    \begin{macrocode}

+\def\set@fusion@octameth{%

+% %%%%%%%%%%%%%%%%%%%%%

+% % inner bond fusion %

+% %%%%%%%%%%%%%%%%%%%%%

+\if@normorinvsw

+  \if\@@tmpa e\relax%

+        \putlratom{684}{103}{\@@tmpb}%     % bond fused

+        \FuseWarning{-171}{103}%

+          {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{e}%

+      \else\if\@@tmpa E\relax%

+        \putlratom{855}{0}{\@@tmpb}%       % bond fused

+        \FuseWarning{171}{-103}%

+          {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{E}%

+      \else\if\@@tmpa f\relax%

+        \putlratom{855}{0}{\@@tmpb}%     % bond fused

+        \FuseWarning{-171}{-103}%

+          {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{f}%

+      \else\if\@@tmpa F\relax%

+        \putlratom{1027}{103}{\@@tmpb}%       % bond fused

+        \FuseWarning{171}{103}%

+          {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{F}%

+      \else\if\@@tmpa g\relax%

+        \putlratom{1027}{103}{\@@tmpb}%     % bond fused

+        \FuseWarning{-171}{103}%

+          {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{g}%

+      \else\if\@@tmpa G\relax%

+        \putlratom{1198}{0}{\@@tmpb}%       % bond fused

+        \FuseWarning{171}{-103}%

+          {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{G}%

+      \else

+        \set@fusion@pentamethi

+  \fi\fi\fi\fi\fi\fi

+\else

+  \if\@@tmpa e\relax%

+        \putlratom{684}{0}{\@@tmpb}%     % bond fused

+        \FuseWarning{-171}{-103}%

+          {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{e}%

+      \else\if\@@tmpa E\relax%

+        \putlratom{855}{103}{\@@tmpb}%       % bond fused

+        \FuseWarning{171}{103}%

+          {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{E}%

+      \else\if\@@tmpa f\relax%

+        \putlratom{855}{103}{\@@tmpb}%     % bond fused

+        \FuseWarning{-171}{103}%

+          {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{f}%

+      \else\if\@@tmpa F\relax%

+        \putlratom{1027}{0}{\@@tmpb}%       % bond fused

+        \FuseWarning{171}{-103}%

+          {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{F}%

+      \else\if\@@tmpa g\relax%

+        \putlratom{1027}{0}{\@@tmpb}%     % bond fused

+        \FuseWarning{-171}{-103}%

+          {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{g}%

+      \else\if\@@tmpa G\relax%

+        \putlratom{1198}{103}{\@@tmpb}%       % bond fused

+        \FuseWarning{171}{103}%

+          {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{G}%

+      \else

+        \set@fusion@pentameth

+  \fi\fi\fi\fi\fi\fi

+\fi

+}% end of the macro \set@fusion@octameth

+%    \end{macrocode}

+% \end{macro}

+%

+% \section{Nonamethylenes of normal and inverse direction}

+%

+% Nonamethylene and hetera derivatives are typeset with the commands 

+% |\nonamethylene| and |\nonamethylenei|. The former macro 

+% is to draw nonamethylenes of normal direction, while the latter 

+% is to draw ones of inverse directions. 

+%

+% \begin{verbatim}

+%  Normal direction:

+%

+%              (bbb)     ((bbb))  (((bbb)))

+%       bbb     ddd      fff      hhh

+%        2       4        6       8 

+%     a /  ` b  / c` d   / e ` f /g` h

+%      /    `  /    `   /     ` /    `

+%     1      3        5        7       9

+%    aaa    ccc      eee       gggg    (((ccc)))

+%           (aaa)    (ccc)     ((ccc))

+%                    ((aaa))   (((aaa)))

+%

+%  Inverse direction:

+%                                 (((aaa)))

+%             (aaa)       ((aaa)) ((ccc))

+%  aaa      ccc      eee (ccc)    ggg     (((ccc)))

+%    1       3        5           7        9

+%   a `   b /  ` c   / d ` e     /f `  g  / h

+%       `  /    `   /     `    /      `  /

+%        2        4         6          8

+%       bbb       ddd     fff          hhh

+%                 (bbb)   ((bbb))       (((bbb)))

+%             (aaa)       ((aaa)) ((ccc))

+% \end{verbatim}

+%

+% The macros have two arguments |ATOMLIST| and |SUBSLIST| 

+% as well as an optional argument |BONDLIST|.  

+%

+% \begin{verbatim}

+% \nonamethylene[BONDLIST]{ATOMLIST}{SUBSLIST}

+% \nonamethylenei[BONDLIST]{ATOMLIST}{SUBSLIST}

+% \end{verbatim}

+%

+% The |BONDLIST| argument contains one character selected from 

+% a to h (or A to H), 

+% each of which indicates the presence of an inner (endcyclic) double 

+% bond on the corresponding position.  A lowercase letter is used 

+% to typeset a double bond at the upper-side of an outer skeletal bond, 

+% while an uppercase letter typesets a double bond at the lower-side of 

+% an outer skeletal bond.  

+% (Note that the option `A' represents an aromatic circle in 

+% commands |\sixheterov| etc.)  

+%

+% \begin{verbatim}

+%     BONDLIST = 

+%

+%           [] or none :  no double bond

+%           a          :  1,2-double bond

+%           A          :  1,2-double bond in an opposite side

+%           b          :  2,3-double bond 

+%           B          :  2,3-double bond in an opposite side

+%           c          :  3,4-double bond 

+%           C          :  3,4-double bond in an opposite side

+%           d          :  4,5-double bond 

+%           D          :  4,5-double bond in an opposite side

+%           e          :  5,6-double bond 

+%           E          :  5,6-double bond in an opposite side

+%           f          :  6,7-double bond 

+%           F          :  6,7-double bond in an opposite side

+%           g          :  7,8-double bond 

+%           G          :  7,8-double bond in an opposite side

+%           h          :  8,9-double bond 

+%           H          :  8,9-double bond in an opposite side

+% \end{verbatim}

+%

+% The |ATOMLIST| argument contains one or more heteroatom descriptors 

+% which are separated from each other by a semicolon.  Each heteroatom 

+% descriptor consists of a locant number and a heteroatom, 

+% where these are separated with a double equality symbol. 

+%

+% \begin{verbatim}

+%

+%     ATOMLIST: list of heteroatoms (max 9 atoms)

+%

+%       for n = 1 to 9

+%

+%           n==?    : Hetero atom, e.g. N, O, etc. at n-position, 

+%                        e.g. 1==N for N at 1-position

+% \end{verbatim}

+%

+% The |SUBSLIST| argument contains one or more substitution descriptors 

+% which are separated from each other by a semicolon.  Each substitution 

+% descriptor has a locant number with a bond modifier and a substituent, 

+% where these are separated with a double equality symbol. 

+% \begin{verbatim}

+%

+%     SUBSLIST: list of substituents

+%

+%       for n = 1 to 9

+%

+%           nD         :  exocyclic double bond at n-atom

+%           n or nS    :  exocyclic single bond at n-atom

+%           nA         :  alpha single bond at n-atom

+%           nB         :  beta single bond at n-atom

+%           nSA        :  alpha single bond at n-atom (boldface)

+%           nSB        :  beta single bond at n-atom (dotted line)

+%           nSa        :  alpha (not specified) single bond at n-atom

+%           nSb        :  beta (not specified) single bond at n-atom

+%           nW         :  terminal single bond (n=1 or 9)

+%

+% \end{verbatim}

+%

+% Several examples are shown as follows.

+% \begin{verbatim}

+%       e.g. 

+%        

+%        \nonamethylene{1==N}{1==Cl;2==F}

+%        \nonamethylenei[b]{1==N}{1==Cl;4==F;2==CH$_{3}$}

+% \end{verbatim}

+%

+% The macros |\nonamethylene| and |\nonamethylenei| are 

+% based on a common inner macro |\@nonamethylene|, 

+% the definition of which uses a picture environment. 

+%

+% \begin{macro}{\nonamethylene}

+%    \begin{macrocode}

+\def\nonamethylene{%

+\@ifnextchar[{\set@normaldirection\@nonamethylene[@}{%

+\set@normaldirection\@nonamethylene[]}}

+%    \end{macrocode}

+% \end{macro}

+

+% \begin{macro}{\nonamethylenei}

+%    \begin{macrocode}

+\def\nonamethylenei{%

+\@ifnextchar[{\set@inversedirection\@nonamethylene[@}{%

+\set@inversedirection\@nonamethylene[]}}

+%    \end{macrocode}

+% \end{macro}

+%

+% Inner temporary commands such as |\@@trinormorinv| and 

+% |\@@dinormorinv| in the common |\@nonamethylene| macro 

+% are replaced by active commands such as |\@@trimethylene| and 

+% |\@@dimethylene|. They carry out the following unit processes.  

+% \begin{enumerate}

+% \item Adjusting substitution site:  

+%    |\yltrimethyleneposition| 

+%       or |\yldimethyleneposition| for normal direction; 

+%    |\yltrimethyleneiposition| 

+%       or |\yldimethyleneiposition| for inverse direction. 

+% \item Treating atom list, 

+%       placing outer skeletons, inner double bonds, 

+%       setting hetero atoms, and 

+%       placing substituents:  

+%        |\@@trimethylene| 

+%           or |\@@dimethylene| for normal direction; 

+%        |\@@trimethylenei| 

+%           or |\@@dimethylenei| for normal direction. 

+% \end{enumerate}

+%

+% \begin{macro}{\@nonamethylene}

+%    \begin{macrocode}

+\def\@nonamethylene[#1]#2#3{%

+\iniflag\iniatom%

+\@reset@ylsw%

+{\@linterchainswfalse%

+\@rinterchainswtrue%

+\@yltrinormorinv{#2}{#3}{0}{0}}%

+\if@ylsw \ifx\@@ylii\empty

+\def\@@ylii{0}\def\@@yli{0}\fi

+\else

+{\@rinterchainswtrue%

+\@linterchainswtrue%

+\@yltrinormorinv{#2}{#3}{1}{-2}}%

+\fi

+\if@ylsw \ifx\@@ylii\empty

+\def\@@ylii{-342}\def\@@yli{0}\fi

+\else

+{\@rinterchainswtrue%

+\@linterchainswtrue%

+\@yltrinormorinv{#2}{#3}{1}{-4}}%

+\fi

+\if@ylsw \ifx\@@ylii\empty

+\def\@@ylii{-684}\def\@@yli{0}\fi

+\else

+{\@rinterchainswfalse%

+\@linterchainswtrue%

+\@yltrinormorinv{#2}{#3}{1}{-6}}%

+\fi

+\if@ylsw \ifx\@@ylii\empty

+\def\@@ylii{-1026}\def\@@yli{0}\fi\fi

+\if@ylsw

+ \yl@shiftii=\@ylii

+ \yl@shifti=\@yli

+ \advance\yl@shiftii\@@ylii

+ \advance\yl@shifti\@@yli

+ \advance\yl@shiftii\yl@xdiff

+ \advance\yl@shifti\yl@ydiff

+ \begin{picture}(0,0)(-\yl@shiftii,-\yl@shifti)

+ \reset@yl@xydiff%1999/1/6 by S. Fujita

+\else

+\begin{picture}(1790,480)(-200,-180)

+  \iforigpt \put(-200,-180){\circle*{50}}%

+           \put(0,0){\circle{50}}% 

+   \typeout{command `nonamethylene' origin: %

+    (0,0) ---> (200,180)}\fi%

+\fi%

+{\reset@double%

+\@tfor\member:=#1\do{%

+\if\member a\relax 

+\@adoublebondtrue

+\else\if\member b\relax 

+\@bdoublebondtrue

+\else\if\member A\relax 

+\@Adoublebondtrue

+\else\if\member B\relax 

+\@Bdoublebondtrue

+\else\if\member c\relax%dummy

+\else\if\member C\relax%dummy

+\else\if\member d\relax%dummy

+\else\if\member D\relax%dummy

+\else\if\member e\relax%dummy

+\else\if\member E\relax%dummy

+\else\if\member f\relax%dummy

+\else\if\member F\relax%dummy

+\else\if\member g\relax%dummy

+\else\if\member G\relax%dummy

+\else\if\member h\relax%dummy

+\else\if\member H\relax%dummy

+\else

+  \expandafter\twoCH@@R\member//%

+    \set@fusion@nonameth% for all bonds

+\fi\fi\fi\fi\fi\fi\fi\fi\fi\fi\fi\fi

+\fi\fi\fi\fi}%

+\@wrongbdWatrue

+\@wrongbdWdtrue

+\put(0,0){\@@trinormorinv{#2}{#3}{0}{0}}}%

+{\reset@double%

+\@tfor\member:=#1\do{%

+\if\member c\relax 

+\@adoublebondtrue

+\else\if\member d\relax 

+\@bdoublebondtrue

+\else\if\member C\relax 

+\@Adoublebondtrue

+\else\if\member D\relax 

+\@Bdoublebondtrue

+\fi\fi\fi\fi}%

+\@wrongbdWatrue

+\@wrongbdWdtrue

+\put(342,0){\@@trinormorinv{#2}{#3}{1}{-2}}}%

+{\reset@double%

+\@tfor\member:=#1\do{%

+\if\member e\relax 

+\@adoublebondtrue

+\else\if\member E\relax 

+\@Adoublebondtrue

+\else\if\member f\relax 

+\@bdoublebondtrue

+\else\if\member F\relax 

+\@Bdoublebondtrue

+\fi\fi\fi\fi}%

+\@wrongbdWatrue

+\@wrongbdWdtrue

+\put(684,0){\@@trinormorinv{#2}{#3}{1}{-4}}}%

+{\reset@double%

+\@tfor\member:=#1\do{%

+\if\member g\relax 

+\@adoublebondtrue

+\else\if\member G\relax 

+\@Adoublebondtrue

+\else\if\member h\relax 

+\@bdoublebondtrue

+\else\if\member H\relax 

+\@Bdoublebondtrue

+\fi\fi\fi\fi}%

+\if@normorinvsw% inverse

+\@wrongbdWafalse

+\@wrongbdWdtrue

+\else% normal

+\@wrongbdWatrue

+\@wrongbdWdfalse

+\fi

+\put(1026,0){\@@trinormorinv{#2}{#3}{1}{-6}}}%

+\end{picture}}% end of \@nonamethylene

+%    \end{macrocode}

+% \end{macro}

+%

+% The inner command |\set@fusion@nonameth| is used for typesetting 

+% a fused ring at each bond represented by |\@@tmpa|.  Warnings 

+% concerning mismatched ring-fusions are based on the command 

+% |\FuseWarning|. 

+%

+% \begin{macro}{\set@fusion@nonameth}

+% \changes{v2.00}{1998/12/21}{New command: \cs{set@fusion@nonameth}}
+%    \begin{macrocode}

+\def\set@fusion@nonameth{%

+% %%%%%%%%%%%%%%%%%%%%%

+% % inner bond fusion %

+% %%%%%%%%%%%%%%%%%%%%%

+\if@normorinvsw

+ \if\@@tmpa h\relax%

+        \putlratom{1198}{0}{\@@tmpb}%     % bond fused

+        \FuseWarning{-171}{-103}%

+          {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{h}%

+      \else\if\@@tmpa H\relax%

+        \putlratom{1369}{103}{\@@tmpb}%       % bond fused

+        \FuseWarning{171}{103}%

+          {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{H}%

+      \else

+        \set@fusion@octameth

+  \fi\fi

+\else

+ \if\@@tmpa h\relax%

+        \putlratom{1198}{103}{\@@tmpb}%     % bond fused

+        \FuseWarning{-171}{103}%

+          {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{h}%

+      \else\if\@@tmpa H\relax%

+        \putlratom{1369}{0}{\@@tmpb}%       % bond fused

+        \FuseWarning{171}{-103}%

+          {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{H}%

+      \else

+        \set@fusion@octameth

+  \fi\fi

+\fi

+}% end of the macro \set@fusion@nonameth

+%    \end{macrocode}

+% \end{macro}

+%

+% \section{Decamethylenes of normal and inverse directions}

+%

+% Decamethylene and hetera derivatives are typeset with the commands 

+% |\decamethylene| and |\decamethylenei|. The former macro 

+% is to draw decamethylenes of normal direction, while the latter 

+% is to draw ones of inverse directions. 

+%

+% \begin{verbatim}

+%  Normal direction:

+%

+%              (bbb)     ((bbb))  (((bbb)))

+%       bbb     ddd      fff      hhh     <bbb>

+%        2       4        6       8      10

+%     a /  ` b  / c` d   / e ` f /g ` h   / i

+%      /    `  /    `   /     ` /    `   /

+%     1      3        5        7       9

+%    aaa    ccc      eee       gggg    (((ccc)))

+%           (aaa)    (ccc)     ((ccc))   <aaa>

+%                    ((aaa))   (((aaa)))

+%

+%  Inverse direction:

+%                                 (((aaa)))

+%             (aaa)       ((aaa)) ((ccc))  <aaa>

+%  aaa      ccc      eee (ccc)    ggg     (((ccc)))

+%    1       3        5           7        9

+%   a `   b /  ` c   / d ` e     /f `  g  / h ` i

+%       `  /    `   /     `    /      `  /     `

+%        2        4         6          8         10

+%       bbb       ddd     fff          hhh       <bbb>

+%                 (bbb)   ((bbb))       (((bbb)))

+% \end{verbatim}

+%

+% The macros have two arguments |ATOMLIST| and |SUBSLIST| 

+% as well as an optional argument |BONDLIST|.  

+% \begin{verbatim}

+% \decamethylene[BONDLIST]{ATOMLIST}{SUBSLIST}

+% \decamethylenei[BONDLIST]{ATOMLIST}{SUBSLIST}

+% \end{verbatim}

+%

+% The |BONDLIST| argument contains one character selected from 

+% a to i (or A to I), 

+% each of which indicates the presence of an inner (endcyclic) double 

+% bond on the corresponding position.  A lowercase letter is used 

+% to typeset a double bond at the upper-side of an outer skeletal bond, 

+% while an uppercase letter typesets a double bond at the lower-side of 

+% an outer skeletal bond.  

+% (Note that the option `A' represents an aromatic circle in 

+% commands |\sixheterov| etc.)  

+%

+% \begin{verbatim}

+%     BONDLIST = 

+%

+%           [] or none :  no double bond

+%           a          :  1,2-double bond

+%           A          :  1,2-double bond in an opposite side

+%           b          :  2,3-double bond 

+%           B          :  2,3-double bond in an opposite side

+%           c          :  3,4-double bond 

+%           C          :  3,4-double bond in an opposite side

+%           d          :  4,5-double bond 

+%           D          :  4,5-double bond in an opposite side

+%           e          :  5,6-double bond 

+%           E          :  5,6-double bond in an opposite side

+%           f          :  6,7-double bond 

+%           F          :  6,7-double bond in an opposite side

+%           g          :  7,8-double bond 

+%           G          :  7,8-double bond in an opposite side

+%           h          :  8,9-double bond 

+%           H          :  8,9-double bond in an opposite side

+%           i          :  9,10-double bond 

+%           I          :  9,10-double bond in an opposite side

+% \end{verbatim}

+%

+% The |ATOMLIST| argument contains one or more heteroatom descriptors 

+% which are separated from each other by a semicolon.  Each heteroatom 

+% descriptor consists of a locant number and a heteroatom, 

+% where these are separated with a double equality symbol. 

+%

+% \begin{verbatim}

+%

+%     ATOMLIST: list of heteroatoms (max 10 atoms)

+%

+%       for n = 1 to 10

+%

+%           n==?    : Hetero atom, e.g. N, O, etc. at n-position, 

+%                        e.g. 1==N for N at 1-position

+% \end{verbatim}

+%

+% The |SUBSLIST| argument contains one or more substitution descriptors 

+% which are separated from each other by a semicolon.  Each substitution 

+% descriptor has a locant number with a bond modifier and a substituent, 

+% where these are separated with a double equality symbol. 

+% \begin{verbatim}

+%

+%     SUBSLIST: list of substituents

+%

+%       for n = 1 to 10

+%

+%           nD         :  exocyclic double bond at n-atom

+%           n or nS    :  exocyclic single bond at n-atom

+%           nA         :  alpha single bond at n-atom

+%           nB         :  beta single bond at n-atom

+%           nSA        :  alpha single bond at n-atom (boldface)

+%           nSB        :  beta single bond at n-atom (dotted line)

+%           nSa        :  alpha (not specified) single bond at n-atom

+%           nSb        :  beta (not specified) single bond at n-atom

+%           nW         :  terminal single bond (n=1 or 10)

+%

+% \end{verbatim}

+%

+% Several examples are shown as follows.

+% \begin{verbatim}

+%       e.g. 

+%        

+%        \decamethylene{1==N}{1==Cl;2==F}

+%        \decamethylenei[b]{1==N}{1==Cl;4==F;2==CH$_{3}$}

+% \end{verbatim}

+%

+% The macros |\decamethylene| and |\decamethylenei| are 

+% based on a common inner macro |\@decamethylene|, 

+% the definition of which uses a picture environment. 

+% \begin{macro}{\decamethylene}

+%    \begin{macrocode}

+\def\decamethylene{%

+\@ifnextchar[{\set@normaldirection\@decamethylene[@}{%

+\set@normaldirection\@decamethylene[]}}

+%    \end{macrocode}

+% \end{macro}

+%

+% \begin{macro}{\decamethylenei}

+%    \begin{macrocode}

+\def\decamethylenei{%

+\@ifnextchar[{\set@inversedirection\@decamethylene[@}{%

+\set@inversedirection\@decamethylene[]}}

+%    \end{macrocode}

+% \end{macro}

+%

+% Inner temporary commands such as |\@@trinormorinv| and 

+% |\@@dinormorinv| in the common |\@decamethylene| macro 

+% are replaced by active commands such as |\@@trimethylene| and 

+% |\@@dimethylene|. They carry out the following unit processes.  

+% \begin{enumerate}

+% \item Adjusting substitution site:  

+%    |\yltrimethyleneposition| 

+%       or |\yldimethyleneposition| for normal direction; 

+%    |\yltrimethyleneiposition| 

+%       or |\yldimethyleneiposition| for inverse direction. 

+% \item Treating atom list, 

+%       placing outer skeletons, inner double bonds, 

+%       setting hetero atoms, and 

+%       placing substituents:  

+%        |\@@trimethylene| 

+%           or |\@@dimethylene| for normal direction; 

+%        |\@@trimethylenei| 

+%           or |\@@dimethylenei| for normal direction. 

+% \end{enumerate}

+%

+% \begin{macro}{\@decamethylene}

+%    \begin{macrocode}

+\def\@decamethylene[#1]#2#3{%

+\iniflag\iniatom%

+\@reset@ylsw%

+{\@linterchainswfalse%

+\@rinterchainswtrue%

+\@yltrinormorinv{#2}{#3}{0}{0}}%

+\if@ylsw \ifx\@@ylii\empty

+\def\@@ylii{0}\def\@@yli{0}\fi

+\else

+{\@rinterchainswtrue%

+\@linterchainswtrue%

+\@yltrinormorinv{#2}{#3}{1}{-2}}%

+\fi

+\if@ylsw \ifx\@@ylii\empty

+\def\@@ylii{-342}\def\@@yli{0}\fi

+\else

+{\@rinterchainswtrue%

+\@linterchainswtrue%

+\@yltrinormorinv{#2}{#3}{1}{-4}}%

+\fi

+\if@ylsw \ifx\@@ylii\empty

+\def\@@ylii{-684}\def\@@yli{0}\fi

+\else

+{\@rinterchainswtrue%

+\@linterchainswtrue%

+\@yltrinormorinv{#2}{#3}{1}{-6}}%

+\fi

+\if@ylsw \ifx\@@ylii\empty

+\def\@@ylii{-1026}\def\@@yli{0}\fi

+\else

+{\@rinterchainswfalse%

+\@linterchainswtrue%

+\@yldinormorinv{#2}{#3}{1}{-8}}%

+\fi

+\if@ylsw \ifx\@@ylii\empty

+\def\@@ylii{-1368}\def\@@yli{0}\fi\fi

+\if@ylsw

+ \yl@shiftii=\@ylii

+ \yl@shifti=\@yli

+ \advance\yl@shiftii\@@ylii

+ \advance\yl@shifti\@@yli

+ \advance\yl@shiftii\yl@xdiff

+ \advance\yl@shifti\yl@ydiff

+ \begin{picture}(0,0)(-\yl@shiftii,-\yl@shifti)

+ \reset@yl@xydiff%1999/1/6 by S. Fujita

+\else

+\begin{picture}(1960,480)(-200,-180)

+  \iforigpt \put(-200,-180){\circle*{50}}%

+           \put(0,0){\circle{50}}% 

+   \typeout{command `decamethylene' origin: %

+    (0,0) ---> (200,180)}\fi%

+\fi%

+{\reset@double%

+\@tfor\member:=#1\do{%

+\if\member a\relax 

+\@adoublebondtrue

+\else\if\member b\relax 

+\@bdoublebondtrue

+\else\if\member A\relax 

+\@Adoublebondtrue

+\else\if\member B\relax 

+\@Bdoublebondtrue

+\else\if\member c\relax%dummy

+\else\if\member C\relax%dummy

+\else\if\member d\relax%dummy

+\else\if\member D\relax%dummy

+\else\if\member e\relax%dummy

+\else\if\member E\relax%dummy

+\else\if\member f\relax%dummy

+\else\if\member F\relax%dummy

+\else\if\member g\relax%dummy

+\else\if\member G\relax%dummy

+\else\if\member h\relax%dummy

+\else\if\member H\relax%dummy

+\else\if\member i\relax%dummy

+\else\if\member I\relax%dummy

+\else

+  \expandafter\twoCH@@R\member//%

+    \set@fusion@decameth% for all bonds

+\fi\fi\fi\fi\fi\fi\fi\fi\fi\fi\fi\fi\fi\fi

+\fi\fi\fi\fi}%

+\@wrongbdWatrue

+\@wrongbdWdtrue

+\put(0,0){\@@trinormorinv{#2}{#3}{0}{0}}}%

+{\reset@double%

+\@tfor\member:=#1\do{%

+\if\member c\relax 

+\@adoublebondtrue

+\else\if\member d\relax 

+\@bdoublebondtrue

+\else\if\member C\relax 

+\@Adoublebondtrue

+\else\if\member D\relax 

+\@Bdoublebondtrue

+\fi\fi\fi\fi}%

+\@wrongbdWatrue

+\@wrongbdWdtrue

+\put(342,0){\@@trinormorinv{#2}{#3}{1}{-2}}}%

+{\reset@double%

+\@tfor\member:=#1\do{%

+\if\member e\relax 

+\@adoublebondtrue

+\else\if\member E\relax 

+\@Adoublebondtrue

+\else\if\member f\relax 

+\@bdoublebondtrue

+\else\if\member F\relax 

+\@Bdoublebondtrue

+\fi\fi\fi\fi}%

+\@wrongbdWatrue

+\@wrongbdWdtrue

+\put(684,0){\@@trinormorinv{#2}{#3}{1}{-4}}}%

+{\reset@double%

+\@tfor\member:=#1\do{%

+\if\member g\relax 

+\@adoublebondtrue

+\else\if\member G\relax 

+\@Adoublebondtrue

+\else\if\member h\relax 

+\@bdoublebondtrue

+\else\if\member H\relax 

+\@Bdoublebondtrue

+\fi\fi\fi\fi}%

+\@wrongbdWatrue

+\@wrongbdWdtrue

+\put(1026,0){\@@trinormorinv{#2}{#3}{1}{-6}}}%

+{\reset@double%

+\@tfor\member:=#1\do{%

+\if\member i\relax 

+\@adoublebondtrue

+\else\if\member I\relax 

+\@Adoublebondtrue

+\fi\fi}%

+\if@normorinvsw% inverse

+\@wrongbdWatrue

+\@wrongbdWdfalse

+\else% normal

+\@wrongbdWafalse

+\@wrongbdWdtrue

+\fi

+\put(1368,0){\@@dinormorinv{#2}{#3}{1}{-8}}}%

+\end{picture}}% end \@decamethylene

+%    \end{macrocode}

+% \end{macro}

+%

+% The inner command |\set@fusion@decameth| is used for typesetting 

+% a fused ring at each bond represented by |\@@tmpa|.  Warnings 

+% concerning mismatched ring-fusions are based on the command 

+% |\FuseWarning|. 

+%

+% \begin{macro}{\set@fusion@decameth}

+% \changes{v2.00}{1998/12/21}{New command: \cs{set@fusion@decameth}}
+%    \begin{macrocode}

+\def\set@fusion@decameth{%

+% %%%%%%%%%%%%%%%%%%%%%

+% % inner bond fusion %

+% %%%%%%%%%%%%%%%%%%%%%

+\if@normorinvsw

+ \if\@@tmpa h\relax%

+        \putlratom{1198}{0}{\@@tmpb}%     % bond fused

+        \FuseWarning{-171}{-103}%

+          {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{h}%

+      \else\if\@@tmpa H\relax%

+        \putlratom{1369}{103}{\@@tmpb}%       % bond fused

+        \FuseWarning{171}{103}%

+          {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{H}%

+      \else\if\@@tmpa i\relax%

+        \putlratom{1369}{103}{\@@tmpb}%       % bond fused

+        \FuseWarning{-171}{103}%

+          {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{i}%

+      \else\if\@@tmpa I\relax%

+        \putlratom{1540}{0}{\@@tmpb}%       % bond fused

+        \FuseWarning{171}{-103}%

+          {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{I}%

+      \else

+        \set@fusion@octameth

+  \fi\fi\fi\fi

+\else

+ \if\@@tmpa h\relax%

+        \putlratom{1198}{103}{\@@tmpb}%     % bond fused

+        \FuseWarning{-171}{103}%

+          {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{h}%

+      \else\if\@@tmpa H\relax%

+        \putlratom{1369}{0}{\@@tmpb}%       % bond fused

+        \FuseWarning{171}{-103}%

+          {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{H}%

+      \else\if\@@tmpa i\relax%

+        \putlratom{1369}{0}{\@@tmpb}%     % bond fused

+        \FuseWarning{-171}{-103}%

+          {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{i}%

+      \else\if\@@tmpa I\relax%

+        \putlratom{1540}{103}{\@@tmpb}%       % bond fused

+        \FuseWarning{171}{103}%

+          {\fuseAx}{\fuseAy}{\fuseBx}{\fuseBy}{I}%

+      \else

+        \set@fusion@octameth

+  \fi\fi\fi\fi

+\fi%

+}% end of the macro \set@fusion@decameth

+%</methylen>

+%    \end{macrocode}

+% \end{macro}

+%

+% \Finale

+%

+\endinput

+
\ No newline at end of file
diff --git a/Master/texmf-dist/source/latex/xymtex/methylen.ins b/Master/texmf-dist/source/latex/xymtex/methylen.ins
new file mode 100644
index 00000000000..660232fd285
--- /dev/null
+++ b/Master/texmf-dist/source/latex/xymtex/methylen.ins
@@ -0,0 +1,49 @@
+\def\batchfile{methylen.ins}

+\input docstrip.tex

+\preamble

+

+This is a generated file.

+

+Copyright 1998 by Shinsaku Fujita

+

+This file is part of the XyMTeX system.

+=======================================

+

+Version 1.02 Released on October 31, 1996 (private version)

+Version 2.00 Released on December 25, 1998

+

+Copyright (C) 1998 by Shinsaku Fujita, all rights reserved.

+This style file is created for drawing chemical structural formulas 

+This style file is to be contained in the ``xymtex'' directory which 

+is an input directory for TeX. 

+

+Copying of this file is authorized only if either

+

+ (1) you make absolutely no changes to your copy, including name and 

+     directory name 

+ (2) if you do make changes, 

+     (a) you name it something other than the names included in the 

+         ``xymtex'' directory and 

+     (b) you acknowledge the original name. 

+ This restriction ensures that all standard styles are identical.

+

+=======================================

+

+This file contains several codes modified from latex.tex (LaTeX2.09) 

+and from latex.ltx (a LaTeX2e), the reused parts of which are subject to 

+Copyright 1994 the LaTeX3 project and the individual authors (For further 

+copyright information see the file legal.txt of the LaTeX2e standard 

+distribution, and any other copyright indicated in this file.)

+

+\endpreamble

+

+\keepsilent

+

+\generateFile{methylen.drv}{t}{%

+  \from{methylen.dtx}{driver}}

+

+\generateFile{methylen.sty}{t}{%

+  \from{methylen.dtx}{methylen}}

+

+\endinput

+
\ No newline at end of file
diff --git a/Master/texmf-dist/source/latex/xymtex/polymers.dtx b/Master/texmf-dist/source/latex/xymtex/polymers.dtx
new file mode 100644
index 00000000000..843f326e9a7
--- /dev/null
+++ b/Master/texmf-dist/source/latex/xymtex/polymers.dtx
@@ -0,0 +1,717 @@
+% \iffalse meta-comment
+%% File: polymers.dtx
+%
+%  Copyright 1996, 1998 by Shinsaku Fujita
+%
+%  This file is part of XyMTeX system.
+%  -------------------------------------
+%
+% This file is a part of the macro package ``XyMTeX'' which has been 
+% designed for typesetting chemical structural formulas.
+%
+% This file is to be contained in the ``xymtex'' directory which is 
+% an input directory for TeX. It is a LaTeX optional style file and 
+% should be used only within LaTeX, because several macros of the file 
+% are based on LaTeX commands. 
+%
+% For the review of XyMTeX, see
+%  (1)  Shinsaku Fujita, ``Typesetting structural formulas with the text
+%    formatter TeX/LaTeX'', Computers and Chemistry, in press.    
+% The following book deals with an application of TeX/LaTeX to 
+% preparation of manuscripts of chemical fields:
+%  (2)  Shinsaku Fujita, ``LaTeX for Chemists and Biochemists'' 
+%    Tokyo Kagaku Dozin, Tokyo (1993) [in Japanese].  
+%
+% Copying of this file is authorized only if either
+%  (1) you make absolutely no changes to your copy, including name and 
+%     directory name; or
+%  (2) if you do make changes, 
+%     (a) you name it something other than the names included in the 
+%         ``xymtex'' directory and 
+%     (b) you are requested to leave this notice intact.
+% This restriction ensures that all standard styles are identical.
+%
+% Please report any bugs, comments, suggestions, etc. to:
+%   Shinsaku Fujita, 
+%   Ashigara Research Laboratories, Fuji Photo Film Co., Ltd., 
+%   Minami-Ashigara, Kanagawa-ken, 250-01, Japan.
+%
+% New address:
+%   Shinsaku Fujita, 
+%   Department of Chemistry and Materials Technology, 
+%   Kyoto Institute of Technology, \\
+%   Matsugasaki, Sakyoku, Kyoto, 606 Japan
+% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
+% \def\j@urnalname{polymers}
+% \def\versi@ndate{August 16, 1996}
+% \def\versi@nno{ver1.00}
+% \def\copyrighth@lder{SF} % Shinsaku Fujita
+% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
+% \def\j@urnalname{polymers}
+% \def\versi@ndate{October 31, 1998}
+% \def\versi@nno{ver1.02}
+% \def\copyrighth@lder{SF} % Shinsaku Fujita
+% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
+%
+% \fi
+%
+% \CheckSum{503}
+%% \CharacterTable
+%%  {Upper-case    \A\B\C\D\E\F\G\H\I\J\K\L\M\N\O\P\Q\R\S\T\U\V\W\X\Y\Z
+%%   Lower-case    \a\b\c\d\e\f\g\h\i\j\k\l\m\n\o\p\q\r\s\t\u\v\w\x\y\z
+%%   Digits        \0\1\2\3\4\5\6\7\8\9
+%%   Exclamation   \!     Double quote  \"     Hash (number) \#
+%%   Dollar        \$     Percent       \%     Ampersand     \&
+%%   Acute accent  \'     Left paren    \(     Right paren   \)
+%%   Asterisk      \*     Plus          \+     Comma         \,
+%%   Minus         \-     Point         \.     Solidus       \/
+%%   Colon         \:     Semicolon     \;     Less than     \<
+%%   Equals        \=     Greater than  \>     Question mark \?
+%%   Commercial at \@     Left bracket  \[     Backslash     \\
+%%   Right bracket \]     Circumflex    \^     Underscore    \_
+%%   Grave accent  \`     Left brace    \{     Vertical bar  \|
+%%   Right brace   \}     Tilde         \~}
+%
+% \setcounter{StandardModuleDepth}{1}
+%
+% \StopEventually{}
+% \MakeShortVerb{\|}
+%
+% \iffalse
+% \changes{v1.00}{1996/07/07}{first edition for LaTeX2e}
+% \changes{v1.02}{1998/10/31}{revised edition for LaTeX2e}
+% \changes{v2.00}{1998/12/25}{enhanced edition for LaTeX2e}
+% \fi
+%
+% \iffalse
+%<*driver>
+\NeedsTeXFormat{pLaTeX2e}
+% \fi
+\ProvidesFile{polymers.dtx}[1998/12/25 v2.00 XyMTeX{} package file]
+% \iffalse
+\documentclass{ltxdoc}
+\GetFileInfo{polymers.dtx}
+%
+% %%XyMTeX Logo: Definition 2%%%
+\def\UPSILON{\char'7}
+\def\XyM{X\kern-.30em\smash{%
+\raise.50ex\hbox{\UPSILON}}\kern-.30em{M}}
+\def\XyMTeX{\XyM\kern-.1em\TeX}
+% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
+\title{Polymers by {\sffamily polymers.sty} 
+(\fileversion) of \XyMTeX{}}
+\author{Shinsaku Fujita \\ 
+Department of Chemistry and Materials Technology, \\
+Kyoto Institute of Technology, \\
+Matsugasaki, Sakyoku, Kyoto, 606 Japan
+% % (old address)
+% % Ashigara Research Laboratories, 
+% % Fuji Photo Film Co., Ltd., \\ 
+% % Minami-Ashigara, Kanagawa, 250-01 Japan
+}
+\date{\filedate}
+%
+\begin{document}
+   \maketitle
+   \DocInput{polymers.dtx}
+\end{document}
+%</driver>
+% \fi
+%
+% \section{Introduction}\label{polymers:intro}
+%
+% \subsection{Options for {\sffamily docstrip}}
+%
+% \DeleteShortVerb{\|}
+% \begin{center}
+% \begin{tabular}{|l|l|}
+% \hline
+% \emph{option} & \emph{function}\\ \hline
+% polymers & polymers.sty \\
+% driver & driver for this dtx file \\
+% \hline
+% \end{tabular}
+% \end{center}
+% \MakeShortVerb{\|}
+%
+% \subsection{Version Information}
+%
+%    \begin{macrocode}
+%<*polymers>
+\typeout{XyMTeX for Drawing Chemical Structural Formulas. Version 2.00}
+\typeout{       -- Released December 25, 1998 by Shinsaku Fujita}
+% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
+\def\j@urnalname{polymers}
+\def\versi@ndate{December 25, 1998}
+\def\versi@nno{ver2.00}
+\def\copyrighth@lder{SF} % Shinsaku Fujita
+% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
+\typeout{XyMTeX Macro File `\j@urnalname' (\versi@nno) <\versi@ndate>%
+\space[\copyrighth@lder]}
+%    \end{macrocode}
+%
+% \section{List of commands for polymers.sty}
+%
+% \begin{verbatim}
+% **********************************
+% * polymers.sty: list of commands * 
+% **********************************
+%
+%  <Delimeters for polymer units>
+%
+%    \leftPMdelim      \rightPMdelim 
+%    \leftpmdelim      \rightpmdelim
+%
+%   \leftPolymer       \leftpolymer
+%   \rightPolymer      \rightpolymer
+%
+%   \leftsqrPolymer    \leftSqrpolymer
+%   \lsqrdelimiter     \leftsqrpolymer
+%
+%   \rightsqrPolymer   \rightSqrpolymer
+%   \rsqrdelimiter     \rightsqrpolymer
+%
+%   \@sqrpolymer
+%   \sqrpolymer        \Sqrpolymer
+%   \mpolymer
+%
+%  <Bonds for polymers>
+%
+%   \WestPbond         \EastPbond
+%   \sbond
+%
+%  <Polymers>
+%
+%   \polyethylene      \@polyethylene
+%   \polystyrene       \@polystyrene
+%
+% \end{verbatim}
+%
+% \section{Input of basic macros}
+%
+% To assure the compatibility to \LaTeX{}2.09 (the native mode), 
+% the commands added by \LaTeXe{} have not been used in the resulting sty 
+% files ({\sf polymers.sty} for the present case).  Hence, the combination 
+% of |\input| and |\@ifundefined| is used to crossload sty 
+% files ({\sf chemstr.sty} etc. for the present case) in place of the 
+% |\RequirePackage| command of \LaTeXe{}. 
+%
+%    \begin{macrocode}
+% *************************
+% * input of basic macros *
+% *************************
+\@ifundefined{setsixringv}{\input chemstr.sty\relax}{}
+\@ifundefined{Westbond}{\input aliphat.sty\relax}{}
+\@ifundefined{bzdrv}{\input carom.sty\relax}{}
+\unitlength=0.1pt
+%    \end{macrocode}
+%
+%    \begin{macrocode}
+% ****************************************************
+% * For separating an augument list to each argument *
+% ****************************************************
+%
+\def\@forsemicol#1:=#2\do#3{%
+%% \edef\@fortmp{#2}\ifx\@fortmp\@empty%
+  \expandafter\def\expandafter\@fortmp\expandafter{#2}%
+  \ifx\@fortmp\@empty%
+    \else%
+    \expandafter\@forl@@p#2;\@nil;\@nil\@@#1{#3}\fi}
+%    \end{macrocode}
+%
+% \section{Delimeters for polymer units}
+%
+% \subsection{Right and left delimeters}
+%
+% A polymer structure has a unit surrounded by 
+% parentheses or other delimeters. For drawing a 
+% parenthesis as the part of a substituent, 
+% the following commands are prepared. 
+% 
+% \subsubsection{Parentheses}
+%
+% \begin{macro}{\leftPMdelim}
+% \begin{macro}{\leftpmdelim}
+%    \begin{macrocode}
+% ********************************
+% * Delimeters for polymer units *
+% ********************************
+\def\leftPMdelim#1{$\mathstrut #1$}
+\def\leftpmdelim{\leftPMdelim{\biggm(}}
+%    \end{macrocode}
+% \end{macro}
+% \end{macro}
+%
+% \begin{macro}{\rightPMdelim}
+% \begin{macro}{\rightpmdelim}
+%    \begin{macrocode}
+\def\rightPMdelim#1#2{%
+ $\mathstrut #1_{\mkern-5mu #2}$}
+\def\rightpmdelim#1{\rightPMdelim{\biggm)}{#1}}
+%    \end{macrocode}
+% \end{macro}
+% \end{macro}
+%
+% The command |\leftpolymer| typesets the left parenthesis of 
+% a polymer unit. 
+% The command |\leftPolymer| is the inner commend of |\leftpolymer|, 
+% where a delimeter can be selected as an argument. 
+%
+% \begin{macro}{\leftPolymer}
+% \begin{macro}{\leftpolymer}
+%    \begin{macrocode}
+\def\leftPolymer#1#2{%
+\begin{picture}(0,0)(0,0)
+\putlatom{0}{0}{#2}
+\putlatom{120}{0}{$#1$}
+\end{picture}}
+\def\leftpolymer#1{\leftPolymer{\biggm(}{#1}}
+%    \end{macrocode}
+% \end{macro}
+% \end{macro}
+%
+% The command |\rightpolymer| typesets the left parenthesis of 
+% a polymer unit along with a repeating number as a subscript. 
+% The command |\rightPolymer| is the inner commend of |\rightpolymer|, 
+% where a delimeter can be selected as an argument. 
+%
+% \begin{macro}{\Rightpolymer}
+% \begin{macro}{\rightpolymer}
+%    \begin{macrocode}
+\def\rightPolymer#1#2#3{%
+\begin{picture}(0,0)(0,0)
+\putratom{0}{0}{#2}
+\putratom{-150}{0}{%
+% $\mathstrut#1_{\mkern-3mu \mbox{\scriptsize\rm #3}}$}
+ $\mathstrut#1_{\mkern-2mu #3}$}
+\end{picture}}
+\def\rightpolymer#1#2{\rightPolymer{\biggm)}{#1}{#2}}
+%    \end{macrocode}
+% \end{macro}
+% \end{macro}
+%
+% \subsubsection{Brackets}
+%
+% The command |\leftSqrpolymer| typesets the left bracket of 
+% a polymer unit. 
+% The command |\leftsqrPolymer| is the inner commend of |\leftSqrpolymer|, 
+% where a delimeter can be selected as an argument. 
+% The bracket selected by the command |\leftSqrpolymer| is 
+% a \TeX{} big mathematical symbol, 
+% the line of which is 
+% boldfaced. 
+%
+% \begin{macro}{\leftsqrPolymer}
+% \begin{macro}{\leftSqrpolymer}
+%    \begin{macrocode}
+\def\leftsqrPolymer#1#2{%
+\begin{picture}(0,0)(0,0)
+\putlatom{0}{0}{#2}
+\putlatom{120}{0}{$#1$}
+\end{picture}}
+\def\leftSqrpolymer#1{\leftsqrPolymer{\Biggm[}{#1}}
+%    \end{macrocode}
+% \end{macro}
+% \end{macro}
+%
+% The command |\rightSqrpolymer| typesets the right bracket of 
+% a polymer unit. 
+% The command |\rightsqrPolymer| is the inner commend of |\rightSqrpolymer|, 
+% where a delimeter can be selected as an argument. 
+% The bracket selected by the command |\rightSqrpolymer| is 
+% a \TeX{} big mathematical symbol, 
+% the line of which is boldfaced. 
+%
+% \begin{macro}{\rightsqrPolymer}
+% \begin{macro}{\rightSqrpolymer}
+%    \begin{macrocode}
+\def\rightsqrPolymer#1#2#3{%
+\begin{picture}(0,0)(0,0)
+\putratom{0}{0}{#2}
+\putratom{-150}{0}{%
+% $\mathstrut #1_{\mbox{\scriptsize\rm #3}}$}
+ $\mathstrut #1_{#3}$}
+\end{picture}}
+\def\rightSqrpolymer#1#2{\rightsqrPolymer{\Biggm]}{#1}{#2}}
+%    \end{macrocode}
+% \end{macro}
+% \end{macro}
+%
+% For drawing polymer brackets of thin line width, 
+% we prepare the command |\lsqrdelimiter|.  The height of 
+% the bracket can be designated by the argument of this 
+% command.  The command 
+% is used to define the command |\leftsqrpolymer|. 
+% This command typesets a left bracket of thin line width. 
+%
+% \begin{macro}{\lsqrdelimiter}
+% \begin{macro}{\leftsqrpolymer}
+%    \begin{macrocode}
+\def\lsqrdelimiter#1{%
+\hbox{\vrule \@width\fboxrule
+$\vcenter to#1{%
+\hrule \@height\fboxrule \@width\fboxsep
+\vfill
+\hrule \@height\fboxrule \@width\fboxsep}$}}
+\def\leftsqrpolymer#1{%
+ \leftsqrPolymer{\lsqrdelimiter{300\unitlength}}{#1}}
+%    \end{macrocode}
+% \end{macro}
+% \end{macro}
+%
+% The command |\rsqrdelimiter| is 
+% used to define the command |\rightsqrpolymer|, which 
+% typesets a right bracket of thin line width. 
+%
+% \begin{macro}{\rsqrdelimiter}
+% \begin{macro}{\rightsqrpolymer}
+%    \begin{macrocode}
+\def\rsqrdelimiter#1{%
+\hbox{$\vcenter to#1{%
+\hrule \@height\fboxrule \@width\fboxsep \vfill
+\hrule \@height\fboxrule \@width\fboxsep}$\kern-\fboxrule
+\vrule \@width\fboxrule\kern2pt}}
+\def\rightsqrpolymer#1#2{%
+\rightsqrPolymer{\rsqrdelimiter{300\unitlength}}{#1}{#2}}
+%    \end{macrocode}
+% \end{macro}
+% \end{macro}
+%
+% \subsection{Pairs of delimeters}
+%
+% The command |\sqrpolymer| typesets a pair of thin-line brackets that 
+% surrounds a polymer unit after measuring the height of 
+% the unit. On the other hand, 
+% the command |\Sqrpolymer| typesets a pair of thick-line brackets. 
+% Both of the commands are based on the inner macro |\@sqrpolymer|, 
+% in which a line width is designated by means of an argument. 
+%
+% \begin{macro}{\@sqrpolymer}
+% \begin{macro}{\sqrpolymer}
+% \begin{macro}{\Sqrpolymer}
+%    \begin{macrocode}
+\long\def\@sqrpolymer#1#2#3{%
+\begingroup \fboxrule=#1
+ \leavevmode\setbox\@tempboxa\hbox{#2}\@tempdima\fboxrule
+    \advance\@tempdima \fboxsep \advance\@tempdima \dp\@tempboxa
+ \@tempdimb=\wd\@tempboxa
+ \advance\@tempdimb by \fboxsep
+ \advance\@tempdimb by \fboxsep
+ \advance\@tempdimb by \fboxrule
+ \advance\@tempdimb by \fboxrule
+   \hbox{\lower \@tempdima\hbox
+  {\vbox{
+  \hbox to\@tempdimb{%
+  \vrule \@height \fboxrule \@width\fboxsep\hfill
+  \vrule \@height \fboxrule \@width\fboxsep}
+  \nointerlineskip
+          \hbox{\vrule \@width \fboxrule \hskip\fboxsep
+          \vbox{\vskip\fboxsep \copy\@tempboxa\vskip\fboxsep}\hskip 
+                 \fboxsep\vrule \@width \fboxrule}
+  \nointerlineskip
+  \hbox to\@tempdimb{%
+  \vrule \@height \fboxrule \@width\fboxsep\hfill
+  \vrule \@height \fboxrule \@width\fboxsep}}}}%
+\kern2pt\lower\@tempdima\hbox{\scriptsize$#3$}\endgroup}
+\long\def\sqrpolymer#1#2{\@sqrpolymer{0.4pt}{#1}{#2}}
+\long\def\Sqrpolymer#1#2{\@sqrpolymer{1pt}{#1}{#2}}
+%    \end{macrocode}
+% \end{macro}
+% \end{macro}
+% \end{macro}
+%
+% The command |\mpolymer| typesets a pair of parentheses that 
+% surrounds a polymer unit after measuring the height of 
+% the unit. 
+%
+% \begin{macro}{\mpolymer}
+%    \begin{macrocode}
+\long\def\mpolymer#1#2{%
+ \leavevmode\setbox\@tempboxa\hbox{#1}\@tempdima\fboxrule
+  \advance\@tempdima \fboxsep \advance\@tempdima \dp\@tempboxa
+  \hbox{\lower \@tempdima\hbox{\vbox{\hbox{\hskip\fboxsep%
+  $\left(\vcenter{\vskip\fboxsep \copy\@tempboxa\vskip\fboxsep}%
+  \right)_{#2}$}}}}}
+%    \end{macrocode}
+% \end{macro}
+%
+% \section{Commands for drawing polymers}
+%
+% \subsection{Bonds for polymers}
+% 
+% The original commands 
+% |\Westbond| and |\Eastbond| are changed into 
+% |\WestPbond| and |\EastPbond|, where each bond is lengthened 
+% for making a space for drawing delimiters.  
+%
+% \begin{macro}{\WestPbond}
+% \begin{macro}{\EastPbond}
+% \begin{macro}{\sbond}
+%    \begin{macrocode}
+% **********************
+% * Bonds for polymers *
+% **********************
+\def\WestPbond{%
+\begin{picture}(100,100)(0,0)
+\put(-100,0){\Westbond}
+\put(-60,0){\line(-1,0){90}}
+\end{picture}}
+\def\EastPbond{%
+\begin{picture}(100,100)(0,0)
+\put(100,0){\Eastbond}
+\put(60,0){\line(1,0){90}}
+\end{picture}}
+\def\sbond{%
+\begin{picture}(160,0)(0,0)
+\put(0,33){\line(1,0){160}}
+\end{picture}}
+%    \end{macrocode}
+% \end{macro}
+% \end{macro}
+% \end{macro}
+%
+% \subsection{Polyethylene unit}
+%
+% The command |\polyethylene| is used to draw polyethylene derivatives, 
+% in which each substituent is designated by the |SUBSLIST|. 
+% The following numbering is used in this macro. 
+%
+% \begin{verbatim}
+% ********************
+% * polyethylene unit*
+% ********************
+%
+% The following numbering is adopted in this macro. 
+%
+%            |   1      6   |
+%            |              |
+%            |   |      |   |
+%        2 ---- (1) -- (2) ---- 5
+%            |   |  (0) |   |
+%            |              |
+%            |   3      4   |0
+% \end{verbatim}
+%
+% The command |\polyethylene| has arguments, 
+% |CALIST| and |SUBSLIST|, as well as an optional argument |AUXLIST|. 
+% \begin{verbatim}
+%   \polyethylene[AUXLIST]{CALIST}{SUBSLIST}
+% \end{verbatim}
+%
+% The optional argument |AUXLIST| is used for 
+% typesetting auxiliary symbols on central atoms. 
+% \begin{verbatim}
+%     AUXLIST = 
+%
+%       {n+}  :  + charge (or another one chararacter) on the center
+% \end{verbatim}
+%
+% The argument |CALIST| is used for indicating center atoms. 
+% \begin{verbatim}
+%     CALIST:  central atom list
+%
+%       for 1  :  cetral atom (e.g. 1==C)
+%           2  :  cetral atom (e.g. 2==C)
+%           0  :  cetral bond (e.g. 0D==)
+% \end{verbatim}
+%
+% The argument |SUBSLIST| is used for indicating  substituents. 
+% \begin{verbatim}
+%     SUBSLIST: list of substituents
+%
+%       for n = 1 to 4 
+%
+%           nT         :  triple bond at n-atom 
+%           nD         :  double bond at n-atom 
+%           n or nS    :  single bond at n-atom
+%           nA         :  alpha single bond at n-atom
+%           nB         :  beta single bond at n-atom
+% \end{verbatim}
+%
+% \begin{macro}{\if@centbondsw}
+% \begin{macro}{\if@centatswi}
+% \begin{macro}{\if@centatswii}
+%    \begin{macrocode}
+\newif\if@centbondsw \@centbondswfalse
+\newif\if@centatswi \@centatswifalse
+\newif\if@centatswii \@centatswiifalse
+%    \end{macrocode}
+% \end{macro}
+% \end{macro}
+% \end{macro}
+%
+% \begin{macro}{\polyethylene}
+% \begin{macro}{\@polyethylene}
+%    \begin{macrocode}
+\def\polyethylene{\@ifnextchar[{\@polyethylene}{\@polyethylene[]}}
+\def\@polyethylene[#1]#2#3{%
+ \begin{picture}(1100,600)(-400,-300)%
+  \iforigpt \put(-400,-300){\circle*{50}}%
+           \put(-\noshift,-\noshift){\circle{50}}% 
+   \typeout{command `polyethylene' origin: %
+    (\the\noshift,\the\noshift) ---> (400,300)}\fi%
+%    \end{macrocode}
+%
+%    \begin{macrocode}
+% ************
+% * aux list *
+% ************
+\def\@@@temp{#1}
+\ifx\@@@temp\empty\else
+\@tfor\member:=#1\do{%
+   \expandafter\twoch@@r\member{}{}%
+   \ifcase\@@tmpa
+    \or \relax \putratom{47}{50}{\scriptsize\@@tmpb}%
+    \or \relax \putratom{347}{50}{\scriptsize\@@tmpb}%
+\fi}\fi
+%    \end{macrocode}
+%
+%    \begin{macrocode}
+% *****************
+% * central atoms *
+% *****************
+\@forsemicol\member:=#2\do{%
+\ifx\member\empty\else
+\expandafter\@m@mb@r\member;\relax%
+   \expandafter\threech@r\@membera{}{}%
+   \ifcase\@tmpa \global\@centbondswtrue \put(20,0){\Eastbond}%
+   \or \global\@centatswitrue \putlratom{-40}{-33}{\@memberb}%
+   \or \global\@centatswiitrue \putlratom{260}{-33}{\@memberb}%
+\fi\fi}%
+\if@centatswi \else \putlratom{-40}{-33}{C}\fi
+\if@centatswii \else \putlratom{260}{-33}{C}\fi
+\if@centbondsw \else \put(70,0){\line(1,0){160}}\fi
+\global\@centbondswfalse
+\global\@centatswifalse
+\global\@centatswiifalse
+%    \end{macrocode}
+%
+%    \begin{macrocode}
+% ****************
+% * Substituents *
+% ****************
+\gdef\numrepeated{x}
+\@forsemicol\member:=#3\do{%
+\ifx\member\empty\else
+\expandafter\@m@mb@r\member;\relax%
+\expandafter\threech@r\@membera{}{}%
+\ifcase\@tmpa \gdef\numrepeated{\@memberb}%
+\or\put(0,0){\Northbond}%
+\or\put(0,0){\WestPbond}%
+\or\put(0,0){\Southbond}%
+\or\put(300,0){\Southbond}%
+\or\put(300,0){\EastPbond}%
+\or\put(300,0){\Northbond}%
+\fi\fi}%end of ifcase
+%    \end{macrocode}
+%
+%    \begin{macrocode}
+% **************
+% * Delimeters *
+% **************
+\put(-200,-33){\leftpmdelim}
+\put(400,-33){\rightpmdelim{\numrepeated}}
+\end{picture}}%end of macro polyethylene
+%    \end{macrocode}
+% \end{macro}
+% \end{macro}
+%
+% \subsection{Polyestyrene unit}
+%
+% The command |\polyestrene| is used to draw polystyrene derivatives, 
+% in which substituents on both the polymer chain and the phenyl group 
+% are designated by the |SUBSLIST| and |PHSUBSLIST|, respectively. 
+% The following numbering is adopted in this macro. 
+% \begin{verbatim}
+% ********************
+% * polystyrene unit *
+% ********************
+%
+%            |   1      6   |
+%            |              |
+%            |   |      |   |
+%        2 ---- (1) -- (2) ---- 5
+%            |   |  (0) |   |
+%            |          |   |
+%            |   3      |   |0
+%                      / `
+%                   6 |    | 2
+%                     |    |
+%                   5 `   / 3
+%                       `
+%                        4
+% \end{verbatim}
+%
+% The command |\polyethylene| has arguments, 
+% |CALIST|, |SUBSLIST| and |PHSUBSLIST|, 
+% as well as an optional argument |AUXLIST|. 
+% \begin{verbatim}
+%   \polystyrene[AUXLIST]{CALIST}{SUBSLIST}{PHSUBSLIST}
+% \end{verbatim}
+%
+% The optional argument |AUXLIST| is used for 
+% typesetting auxiliary symbols on central atoms. 
+% \begin{verbatim}
+%     AUXLIST = 
+%
+%       {n+}  :  + charge (or another one chararacter) on the center
+% \end{verbatim}
+%
+% The argument |CALIST| is used for indicating center atoms. 
+% \begin{verbatim}
+%     CALIST:  central atom list
+%
+%       for 1  :  cetral atom (e.g. 1==C)
+%           2  :  cetral atom (e.g. 2==C)
+%           0  :  cetral bond (e.g. 0D==)
+% \end{verbatim}
+%
+% The argument |SUBSLIST| is used for indicating  substituents on 
+% the polymer chain. 
+% \begin{verbatim}
+%     SUBSLIST: list of substituents
+%
+%       for n = 1 to 4 
+%
+%           nT         :  triple bond at n-atom 
+%           nD         :  double bond at n-atom 
+%           n or nS    :  single bond at n-atom
+%           nA         :  alpha single bond at n-atom
+%           nB         :  beta single bond at n-atom
+% \end{verbatim}
+%
+% The argument |PHSUBSLIST| is used for indicating  substituents on 
+% the phenyl group. 
+% \begin{verbatim}
+%     PHSUBSLIST: list of phenyl substituents
+%
+%       for n = 2 to 6
+%
+%           n or nS    :  single bond at n-atom
+% \end{verbatim}
+%
+% \begin{macro}{\polyethylene}
+% \begin{macro}{\@polyethylene}
+%    \begin{macrocode}
+\def\polystyrene{\@ifnextchar[{\@polystyrene}{\@polystyrene[]}}
+\def\@polystyrene[#1]#2#3#4{%
+\begin{picture}(1100,1200)(0,-640)%
+  \iforigpt \put(0,-640){\circle*{50}}%
+           \put(-\noshift,-\noshift){\circle{50}}% 
+   \typeout{command `polystyrene' origin: %
+    (\the\noshift,\the\noshift) ---> (0,640)}\fi%
+\begingroup \origptfalse
+\put(0,0){\polyethylene[#1]{#2}{#3}}%
+\put(700,0){\line(0,1){240}}%
+\put(300,-646){\bzdrv{#4}}%
+\endgroup
+\end{picture}}%end of macro polystyrene
+%</polymers>
+%    \end{macrocode}
+% \end{macro}
+% \end{macro}
+%
+% \Finale
+%
+\endinput
+
\ No newline at end of file
diff --git a/Master/texmf-dist/source/latex/xymtex/polymers.ins b/Master/texmf-dist/source/latex/xymtex/polymers.ins
new file mode 100644
index 00000000000..66e71995c27
--- /dev/null
+++ b/Master/texmf-dist/source/latex/xymtex/polymers.ins
@@ -0,0 +1,50 @@
+\def\batchfile{polymers.ins}

+\input docstrip.tex

+\preamble

+

+This is a generated file.

+

+Copyright 1996,1998 by Shinsaku Fujita

+

+This file is part of the XyMTeX system.

+=======================================

+

+Version 1.01 Released on August 16, 1996 

+Version 1.02 Released on October 31, 1996 (private version)

+Version 2.00 Released on December 25, 1998

+

+Copyright (C) 1998 by Shinsaku Fujita, all rights reserved.

+This style file is created for drawing chemical structural formulas 

+This style file is to be contained in the ``xymtex'' directory which 

+is an input directory for TeX. 

+

+Copying of this file is authorized only if either

+

+ (1) you make absolutely no changes to your copy, including name and 

+     directory name 

+ (2) if you do make changes, 

+     (a) you name it something other than the names included in the 

+         ``xymtex'' directory and 

+     (b) you acknowledge the original name. 

+ This restriction ensures that all standard styles are identical.

+

+=======================================

+

+This file contains several codes modified from latex.tex (LaTeX2.09) 

+and from latex.ltx (a LaTeX2e), the reused parts of which are subject to 

+Copyright 1994 the LaTeX3 project and the individual authors (For further 

+copyright information see the file legal.txt of the LaTeX2e standard 

+distribution, and any other copyright indicated in this file.)

+

+\endpreamble

+

+\keepsilent

+

+\generateFile{polymers.drv}{t}{%

+  \from{polymers.dtx}{driver}}

+

+\generateFile{polymers.sty}{t}{%

+  \from{polymers.dtx}{polymers}}

+

+\endinput

+
\ No newline at end of file
diff --git a/Master/texmf-dist/source/latex/xymtex/xymtex2.jpn b/Master/texmf-dist/source/latex/xymtex/xymtex2.jpn
new file mode 100644
index 00000000000..341acf60360
--- /dev/null
+++ b/Master/texmf-dist/source/latex/xymtex/xymtex2.jpn
@@ -0,0 +1,86 @@
+xymtex2.jpn
+XyMTeXのオンラインドキュメント (日本語版)
+Copyright (C) 1993, 1996, 1998 by Shinsak Fujita. All rights reserved. 
+%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
+(旧)xymtex1.jpnを改名
+XyMTeXのオンラインドキュメント (日本語版)
+Copyright (C) 1993, 1996 by Shinsak Fujita. All rights reserved. 
+%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
+`XyMTeX' は化学構造式を描くためのマクロパッケージです。
+
+(1) 設定
+
+    このマクロパッケージは、LHAで圧縮されています。この解凍は、次のように
+　行います。
+　　まず、圧縮されたxymtex2.lzhが、ディレクトリーb:にあるとします。解凍先を
+　ディレクトリーa:\texとします。ディレクトリーa:\texに入ったのち、コマンド
+　ラインに次のように入力します。
+
+     a:\tex>lha x b:\xymtex2
+  
+　この結果、解凍が行われて、ディリクトリー\xymtexが自動的に発生します。
+　発生したディレクトリーは、階層を略さずに書けば、a:\tex\xymtexとなります。
+　このディレクトリーの中に、XyMTeXの各種スタイルファイルやドキュメント類
+　が次のように展開されています。
+
+  a---\tex---\xymtex --- hetaromh.sty, hetarom.sty, ccycle.sty, 
+    |      |          |   chemstr.sty, carom.sty, lowcycl.sty, aliphat.sty, 
+                      |   hcycle.sty, locant.sty, polymers.sty, chemist.sty
+                      |   methylen.sty, fusering.sty
+                      |
+                      |   (dtx files)
+                      |
+                      |--\drvdvi---drv files, dvi files
+                      |
+                      |--\doc200--- xymtx200.tex, xymtx200.dvi,
+                      |    xymyl.tex, xymadd.tex 
+                      |    (other files for the document preparation)
+                      |
+                      |---xymtex1.doc (英語版オンラインドキュメント)
+                      |
+                      |---xymtex1.jpn (このドキュメント)
+                      |
+                      |---readme1.doc (覚え書き)
+                      |
+                      |---readme1.jpn (覚え書き)
+
+　　同時にアップロードしたxymtx200.dviは、本システムに含まれるコマンドの
+　使用例と仕様を示したものです。プリンタードライバーやプレビューアーにかけて
+　ご覧下さい。約100ページです。
+　　また、ディレクトリー\doc200に含まれるxymtx200.texは、xymtx200.dviを発生する
+  ためのtexファイルです。両者を比較すると、構造式を書くときのヒントが得
+  られるでしょう。
+
+(2) サーチパスの設定。
+
+　　XyMTeXを使うには、次のようにサーチパスを設定します。この設定は、
+　上記の解凍操作によって発生したことを前提にしています。他のディレクトリー
+　階層にした場合は、それに応じてサーチパスを設定して下さい．多分
+  ディレクトリー\tex\texmf\web2cに\texmf.cnfが含まれているので，
+  これにパスを追加してください．
+  For example, you add 
+
+   platex2e_inputs = .;$TEXMF/tex/platex2e//;$TEXMF/tex/latex2e//;
+    $TEXMF/tex//;a:/tex/inputs//;
+    a:/tex/chem//;a:/tex/xymtex//;a:/tex/opsty//
+                  ~~~~~~~~~~~~~~~ <---- 追加
+(3) 原稿への記入事項
+
+　　XyMTeXの命令を使うには、その命令の含まれているスタイルファイルを
+　オプション指定する必要があります。たとえば、hetarom.styとhetaromh.styを
+　使うときには、
+
+    \documentclass{article}
+    \usepackage{epic,hetarom,hetaromh}
+    ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
+　と、原稿の先頭に記入します。いちいち指定するのが面倒ならば，
+
+    \documentclass{article}
+    \usepackage{xymtex}
+
+  と指定すると，XyMTeX関係のstyファイルがすべて読み込まれます．
+
+(4) LaTeXeまたはpLaTeX2eの起動
+
+%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%(END) 
+
\ No newline at end of file