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+% \iffalse meta-comment
+%% File: xymtx-pdf.dtx
+%
+% Copyright 2002,2004,2005,2009,2010,2013 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.
+%
+% The following book deals with an application of TeX/LaTeX to
+% preparation of manuscripts of chemical fields:
+% (1) Shinsaku Fujita, ``LaTeX for Chemists and Biochemists''
+% Tokyo Kagaku Dozin, Tokyo (1993) [in Japanese].
+% (2) Shinsaku Fujita, ``XyMTeX. Typesetting Chemical Structural
+% Formulas'' Addison-Wesley, New York (1997).
+%
+% This work may be distributed and/or modified under the
+% conditions of the LaTeX Project Public License, either version 1.3
+% of this license or (at your option) any later version.
+% The latest version of this license is in
+% http://www.latex-project.org/lppl.txt
+% and version 1.3 or later is part of all distributions of LaTeX
+% version 2005/12/01 or later.
+%
+% This work has the LPPL maintenance status `maintained'.
+% The Current Maintainer of this work is Shinsaku Fujita.
+%
+% This work consists of the files xymtx-pdf.dtx and xymtx-pdf.ins
+% and the derived file xymtx-pdf.sty.
+%
+% Please report any bugs, comments, suggestions, etc. to:
+% Shinsaku Fujita,
+% Shonan Institute of Chemoinformatics and
+% Mathematical Chemistry
+% shinsaku_fujita@nifty.com
+%
+% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
+% \def\j@urnalname{xymtx-ps}
+% \def\versi@ndate{May 30, 2002}
+% \def\versi@nno{ver1.00}
+% \def\copyrighth@lder{SF} % Shinsaku Fujita
+% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
+% \def\j@urnalname{xymtx-ps}
+% \def\versi@ndate{May 30, 2002}
+% \def\versi@nno{ver1.00}
+% \def\copyrighth@lder{SF} % Shinsaku Fujita
+% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
+% \def\j@urnalname{xymtx-ps}
+% \def\versi@ndate{August 30, 2004}
+% \def\versi@nno{ver4.01}
+% \def\copyrighth@lder{SF} % Shinsaku Fujita
+% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
+% \def\j@urnalname{xymtx-ps}
+% \def\versi@ndate{December 20, 2004}
+% \def\versi@nno{ver4.02}
+% \def\copyrighth@lder{SF} % Shinsaku Fujita
+% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
+% \def\j@urnalname{xymtx-ps}
+% \def\versi@ndate{June 20, 2005}
+% \def\versi@nno{ver4.03}
+% \def\copyrighth@lder{SF} % Shinsaku Fujita
+% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
+% \def\j@urnalname{xymtx-ps}
+% \def\versi@ndate{August 02, 2005}
+% \def\versi@nno{ver4.03a}
+% \def\copyrighth@lder{SF} % Shinsaku Fujita
+% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
+% \def\j@urnalname{xymtx-ps}
+% \def\versi@ndate{June 15, 2009}
+% \def\versi@nno{ver4.04a}
+% \def\copyrighth@lder{SF} % Shinsaku Fujita
+% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
+% \def\j@urnalname{xymtx-ps}
+% \def\versi@ndate{November 05, 2009}
+% \def\versi@nno{ver4.05}
+% \def\copyrighth@lder{SF} % Shinsaku Fujita
+% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
+% \def\j@urnalname{xymtx-pdf}
+% \def\versi@ndate{October 01, 2010}
+% \def\versi@nno{ver5.00}
+% \def\copyrighth@lder{SF} % Shinsaku Fujita
+% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
+% \def\j@urnalname{xymtx-pdf}
+% \def\versi@ndate{November 23, 2010}
+% \def\versi@nno{ver5.00b}
+% \def\copyrighth@lder{SF} % Shinsaku Fujita
+% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
+% \def\j@urnalname{xymtx-pdf}
+% \def\versi@ndate{March 10, 2013}
+% \def\versi@nno{ver5.01b}
+% \def\copyrighth@lder{SF} % Shinsaku Fujita
+% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
+% \def\j@urnalname{xymtx-pdf}
+% \def\versi@ndate{May 27, 2013}
+% \def\versi@nno{ver5.01bb}
+% \def\copyrighth@lder{SF} % Shinsaku Fujita
+% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
+%
+% \fi
+%
+% \CheckSum{1761}
+%% \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}{2002/05/30}{first edition for LaTeX2e}
+% \changes{v4.01}{2004/08/30}{Adjust for XyMTeX version 4.01}
+% \changes{v4.02}{2004/12/20}{Wedged bonds for stereochemistry}
+% \changes{v4.03}{2005/06/20}{Wave bonds for stereochemistry}
+% \changes{v4.03a}{2005/08/02}{Bug fix for the compatibility with
+% \changes{v4.04a}{2009/06/15}{Bug fix for \cs{\Put@@@@Direct}}
+% \changes{v4.05}{2009/11/05}{Bug fix for \cs{\Put@@@@Direct}; pLaTeXe vs. LaTeXe}
+% \changes{v5.00}{2010/10/01}{Change the PostScript mode into the PDF mode}
+% \changes{v5.00b}{2010/11/23}{added the pgfcore package for pdflatex}
+% \changes{v5.01b}{2013/03/10}{Bug fix for \cs{zahyozobun}}
+% \changes{v5.01bb}{2013/05/27}{\cs{WedgeAsSubstX} etc.}
+% \changes{v5.01}{2013/06/21}{\cs{WavyAsSubst} etc.}
+% \fi
+%
+% \iffalse
+%<*driver>
+\NeedsTeXFormat{pLaTeX2e}
+% \fi
+\ProvidesFile{xymtx-pdf.dtx}[2013/06/21 v5.01 xymtx-pdf package file]
+% \iffalse
+\documentclass{ltxdoc}
+\GetFileInfo{xymtx-pdf.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{Chemistry Conventions by {\sffamily xymtx-pdf.sty}
+(\fileversion) of \XyMTeX{}}
+\author{Shinsaku Fujita \\
+Shonan Institute of Chemoinformatics Mathematical Chemistry, \\
+Kaneko 479-7 Ooimachi, Ashigara-Kami-Gun,
+Kanagawa-Ken, 258-0019 Japan
+}
+\date{\filedate}
+%
+\begin{document}
+ \maketitle
+ \DocInput{xymtx-pdf.dtx}
+\end{document}
+%</driver>
+% \fi
+%
+% \section{Introduction}\label{xymtx-pdf:intro}
+%
+% This package aims at converting XyMTeX documents into PDF by
+% using the dvipdfm(x) converter or its equivalent. The codes
+% contained in xymtx-ps.dtx for the PostScript mode of XyMTeX
+% have been changed and extended to match direct conversion
+% into PDF files.
+%
+% \subsection{Options for {\sffamily docstrip}}
+%
+% \DeleteShortVerb{\|}
+% \begin{center}
+% \begin{tabular}{|l|l|}
+% \hline
+% \emph{option} & \emph{function}\\ \hline
+% xymtxpdf & xymtx-pdf.sty \\
+% driver & driver for this dtx file \\
+% \hline
+% \end{tabular}
+% \end{center}
+% \MakeShortVerb{\|}
+%
+% \subsection{Version Information}
+%
+% \begin{macrocode}
+%<*xymtxpdf>
+% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
+\def\j@urnalname{xymtx-pdf}
+\def\versi@ndate{June 21, 2013}
+\def\versi@nno{ver5.01}
+\def\copyrighth@lder{SF} % Shinsaku Fujita
+% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
+\typeout{XyMTeX Macro File `\j@urnalname' (\versi@nno) <\versi@ndate>%
+\space[\copyrighth@lder]}
+% \end{macrocode}
+%
+% \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{}.
+% The global setting of unit by |\psset| has caused imcompatibility
+% with the prosper package and so has been changed into a local setting.
+% \changes{v4.03a}{2005/08/02}{Bug fix for the compatibility with
+% the prosper package}
+% \changes{v5.00b}{2010/11/23}{added the pgfcore package for pdflatex}
+%
+% \begin{macrocode}
+% *************************
+% * input of basic macros *
+% *************************
+\@ifundefined{setsixringv}{\input chemstr.sty\relax}{}
+\RequirePackage{tikz}
+\RequirePackage{pgfcore}%%%added 2010/11/23 by S. Fujita
+\RequirePackage{xcolor}
+\usetikzlibrary{arrows,decorations.pathmorphing,backgrounds,fit,calc}
+\unitlength=0.1pt
+\def\white{\color{white}}
+% \end{macrocode}
+%
+% \begin{macrocode}
+\newif\if@thicklinesw \@thicklineswfalse
+\def\Thick@Lines{\@thicklineswtrue}%redefinition
+\def\Thin@Lines{\@thicklineswfalse}%redefinition
+\def\thickLineWidth{1.6pt}
+\def\thinLineWidth{0.4pt}
+% \end{macrocode}
+%
+% Temporary count registers:
+% \begin{macrocode}
+\newcount\XyMTeXnuma
+\newcount\XyMTeXnumb
+\newcount\XyMTeXnumc
+\newcount\XyMTeXnumd
+\newcount\XyMTeXnume
+\newcount\XyMTeXnumf
+\newcount\XyMTeXnumg
+\newcount\XyMTeXnumh
+\newcount\XyMTeXnumi
+\newcount\XyMTeXcnta
+\newcount\XyMTeXcntb
+% \end{macrocode}
+%
+% Temporary dimension registers:
+% \begin{macrocode}
+\newdimen\XyMTeXdima
+\newdimen\XyMTeXdimb
+\newdimen\XyMTeXdimc
+\newdimen\XyMTeXdimd
+\newdimen\XyMTeXdime
+% \end{macrocode}
+%
+% Temporary box registers:
+% \begin{macrocode}
+\newbox\BondBox
+% \end{macrocode}
+%
+%
+% The macro |\Put@@@@Line| can draw dashed bonds or wedged bonds for supporting
+% stereochemistry. Two switches are available as follows:
+%
+% \begin{macro}{changedashtowedge}
+% \begin{macro}{changewedgetodash}
+% \changes{v4.02}{2004/12/20}{For PS mode: Switch for wedged bonds}
+% \begin{macrocode}
+\newif\if@wedgesw \@wedgeswtrue
+\newif\if@hasheddashsw \@hasheddashswtrue
+\def\wedgehasheddash{\@wedgeswtrue\@hasheddashswtrue}
+\def\wedgehashedwedge{\@wedgeswtrue\@hasheddashswfalse}
+\def\dashhasheddash{\@wedgeswfalse\@hasheddashswtrue}
+\@ifundefined{ifmolfront}{\newif\ifmolfront \molfrontfalse}{}
+\@ifundefined{if@skbondlist}{\newif\if@skbondlist \@skbondlistfalse}{}
+% \end{macrocode}
+% \end{macro}
+% \end{macro}
+%
+% \begin{macro}{\setUnitHalfScale}
+%
+% The macro |\setUnitHalfScale| calculates the half of a line width
+% (such as |\thinLineWidth| and |\thickLineWidth|), which is used
+% to adjust the staring point of a bond line. This macro is used
+% in |\PUT@@@@bondLINE|.
+%
+% \begin{macro}{\NumRound}
+% \begin{macro}{\UHalfScaleGain}
+% These macros result in, e.g.,
+% 0.4pt $\rightarrow$ 0.4/0.1 (/2) $\rightarrow$ 1.999 $\rightarrow$ 2.
+% (Not used)
+%
+% \begin{macrocode}
+\def\NumRound#1.#2#3\@nil{%shishagonyu
+\begingroup
+\XyMTeXcnta=0 \XyMTeXcntb=0
+\XyMTeXcnta=#1 %%\typeout{A:\the\XyMTeXcnta;}
+\XyMTeXcntb=#2 %%\typeout{B:\the\XyMTeXcntb;}
+\ifnum\XyMTeXcntb<5 \else
+\advance\XyMTeXcnta by1 %%\typeout{C:\the\XyMTeXcnta;}
+\fi\xdef\@UHalfScale{\the\XyMTeXcnta}\endgroup}
+{\catcode`\p=12 \catcode`\t=12
+\gdef\UHalfScaleGain#1pt{\gdef\@@UHalfScale{#1}}}
+\def\setUnitHalfScale#1{%
+\@tempdima=#1 \dimen0=0.1pt
+\@tempcnta=\@tempdima
+\@tempcntb=\dimen0
+\multiply\@tempcntb by10
+\divide\@tempcntb by65536%
+\divide\@tempdima by \@tempcntb
+\multiply\@tempdima by5 %%\typeout{D:\the\@tempdima}
+\expandafter\UHalfScaleGain\the\@tempdima%
+\expandafter\NumRound\@@UHalfScale\@nil
+}
+% \end{macrocode}
+% \end{macro}
+% \end{macro}
+% \end{macro}
+%
+% \begin{macro}{\PutSimpleBondBox}
+% \changes{v5.00}{2010/10/01}{For PDF mode: macro for adjusting the position of
+% a simple bond (straight line, dashed line, etc.)}
+% The macro |\PutSimpleBondBox| is used to adjust the coordinates of joint positions
+% by using the macros |\PUT@@@@bondLINE| and |h@shedd@shbond|, which draw simple bonds
+% such as straight lines and dashed lines.
+%
+% \begin{macrocode}
+%\newbox\BondBox
+\def\PutSimpleBondBox(#1,#2)(#3,#4)#5{%for simple bonds
+\setbox\BondBox=\hbox{#5}%
+\XyMTeXdima=#1\unitlength
+\XyMTeXdimb=#3\unitlength
+\XyMTeXdimc=\thickLineWidth
+\divide\XyMTeXdimc by2%adjustment by the half of a line width
+\ifdim \XyMTeXdima>\XyMTeXdimb\relax
+\XyMTeXdimd=\XyMTeXdima
+\XyMTeXdime=\XyMTeXdimb
+\advance\XyMTeXdime by -\XyMTeXdimd
+\advance\XyMTeXdime by -\XyMTeXdimc
+\put(#1,#2){\kern\XyMTeXdime\box\BondBox}%
+\else
+\ifdim \XyMTeXdima=\XyMTeXdimb\relax
+\XyMTeXdimd=-\XyMTeXdimc
+%%%\put(#1,#2){\kern\XyMTeXdimd\raise\XyMTeXdimd\hbox{\box\BondBox}}%
+\put(#1,#2){\kern\XyMTeXdimd\box\BondBox}%
+\else
+\XyMTeXdimd=-\XyMTeXdimc
+\put(#1,#2){\kern\XyMTeXdimd\box\BondBox}%
+\fi\fi%
+}
+% \end{macrocode}
+% \end{macro}
+%
+% \begin{macro}{\tikznodimension}
+% \changes{v5.00}{2010/10/01}{For PDF mode: macro for typesetting an object
+% as having no dimensions. }
+% The macro |\tikznodimension| is used in place of the macro |\PutSimpleBondBox|, which
+% is originally used to adjust the coordinates of joint positions.
+% Thereby, the macros |\PUT@@@@bondLINE| and |h@shedd@shbond| have a more rigorous basis
+% in putting such simple bonds as straight lines and dashed lines.
+%
+% \begin{macrocode}
+\def\tikznodimension#1{\tikz{%
+\pgfpathrectangle{\pgfpointorigin}{\pgfpointorigin}
+\pgfusepath{use as bounding box} % draws nothing
+#1}}
+% \end{macrocode}
+% \end{macro}
+%
+% The macro |\PUT@@@@bondLINE| is used in the macro |\Put@@@@Line|,
+% which draws a bond line. This macro relies on the |\tikz| graphic
+% enviroment.
+%
+% \begin{macro}{\PUT@@@@bondLINE}
+% \begin{macro}{\PutPDFLine}
+% \changes{v5.00}{2010/10/01}{For PDF mode: macro for
+% drawing a straight-line bond after adjusting its joint position}
+% \begin{macrocode}
+\def\PUT@@@@bondLINE(#1,#2)(#3,#4)#5{%
+\begingroup
+%\setbox0=\hbox{%
+%\tikz[baseline=(X.base)]{%
+%\draw[line width=#5,line cap=round]%
+%(#1\unitlength,#2\unitlength) coordinate (X) -- (#3\unitlength,#4\unitlength);}}%
+%\PutSimpleBondBox(#1,#2)(#3,#4){\box0}%
+\tikznodimension{%
+\draw[line width=#5]%
+(#1\unitlength,#2\unitlength) -- (#3\unitlength,#4\unitlength);}%
+\endgroup
+}
+\let\PutPDFLine=\PUT@@@@bondLINE%for user's use
+\let\PutBondLine=\PUT@@@@bondLINE%for user's use
+% \end{macrocode}
+% \end{macro}
+% \end{macro}
+%
+% \begin{macro}{\PutBondBox}
+% \changes{v5.00}{2010/10/01}{For PDF mode: a macro for putting a bond box
+% after adjusting coordinates. }
+% The macro |\PutBondBox| put a bond box at an adjusted point,
+% where the bond box contain a wadge or wavy bond drawn by using
+% the pgf package (\verb/\tikz/). The macro is used in the
+% macros |\PUT@@@@wedgeLINE| and |\PUT@@@@wavyLINE|.
+% \begin{macrocode}
+%\newbox\BondBox
+\def\PutBondBox(#1,#2)(#3,#4)#5{%for wedge and wavy bonds
+\setbox\BondBox=\hbox{#5}%
+\XyMTeXdima=#1\unitlength
+\XyMTeXdimb=#3\unitlength
+\XyMTeXdimc=4pt%
+\divide\XyMTeXdimc by2%adjustment by the half of a line width
+\if@vertbond
+\XyMTeXdimd=\wd\BondBox
+\divide\XyMTeXdimd by2\relax
+\put(#1,#2){\kern-1.2\XyMTeXdimd\box\BondBox}%%tentative factor 1.2
+\else
+\if@horizbond
+\ifdim \XyMTeXdima>\XyMTeXdimb\relax
+\XyMTeXdimd=\XyMTeXdima
+\XyMTeXdime=\XyMTeXdimb
+\advance\XyMTeXdime by -\XyMTeXdimd
+\put(#1,#2){\kern-5\unitlength\kern\XyMTeXdime\box\BondBox}%tentative factor 5 %%%
+\else
+\put(#1,#2){\kern-1.2\unitlength\box\BondBox}%tentative factor 1.2
+\fi
+\else
+%%
+\ifdim \XyMTeXdima>\XyMTeXdimb\relax
+\XyMTeXdime=-\wd\BondBox
+\put(#1,#2){\kern0.2\unitlength\kern\XyMTeXdime\box\BondBox}%tentative shift factor
+\else
+\ifdim \wd\BondBox<4.3pt\relax
+\XyMTeXdimd=\wd\BondBox
+\divide\XyMTeXdimd by2\relax
+\put(#1,#2){\kern-1.3\XyMTeXdimd\box\BondBox}%tentative shift factor 1.3
+%
+\else
+\put(#1,#2){\kern-3\unitlength\box\BondBox}%tentative shift factor 3
+\fi\fi
+\fi\fi}
+% \end{macrocode}
+% \end{macro}
+%
+% The macro |\PUT@@@@wedgeLINE| is used in the macro |\Put@@@@Line|,
+% which draws a bond wedge. This macro relies on the |\tikz| graphic
+% enviroment.
+%
+% \begin{macro}{\PUT@@@@wedgeLINE}
+% \changes{v5.00}{2010/10/01}{For PDF mode: a macro for putting a wedge bond. }
+% \begin{macrocode}
+\newif\if@vertbond \@vertbondfalse
+\newif\if@horizbond \@horizbondfalse
+\def\PUT@@@@wedgeLINE(#1,#2)(#3,#4)(#5,#6){%
+\begingroup
+%\setbox0=\hbox{%
+%\tikz[baseline=(X.base)]{%
+%\filldraw[black,line cap=round]%
+%(#1\unitlength,#2\unitlength) coordinate (X) -- (#3\unitlength,#4\unitlength)%
+%-- (#5\unitlength,#6\unitlength) -- (#1\unitlength,#2\unitlength);}}%
+%\PutBondBox(#1,#2)(#3,#4){\box0}%adjustment
+\tikznodimension{%
+\filldraw%
+(#1\unitlength,#2\unitlength) -- (#3\unitlength,#4\unitlength)%
+-- (#5\unitlength,#6\unitlength) -- (#1\unitlength,#2\unitlength);}%
+\endgroup
+}
+% \end{macrocode}
+% \end{macro}
+%
+% The macro |\PUT@@@@wavyLINE| is used in the macro |\Put@@@@Line|,
+% which draws a wavy bond. This macro relies on the |\tikz| graphic
+% enviroment.
+%
+% \begin{macro}{\PUT@@@@wavyLINE}
+% \changes{v5.00}{2010/10/01}{For PDF mode: a macro for putting a wavy bond. }
+% \begin{macrocode}
+\def\PUT@@@@wavyLINE(#1,#2)(#3,#4){%
+\begingroup
+%\setbox0=\hbox{%
+%\tikz[baseline=(X.base)]{%
+%\draw[line cap=round,decorate,
+%decoration={coil,aspect=0,segment length=2pt,amplitude=1pt}]%
+%(#1\unitlength,#2\unitlength) coordinate (X) -- (#3\unitlength,#4\unitlength);}}%
+%\PutBondBox(#1,#2)(#3,#4){\box0}%adjustment
+\tikznodimension{%
+\draw[decorate,
+decoration={coil,aspect=0,segment length=2pt,amplitude=1pt}]%
+(#1\unitlength,#2\unitlength) coordinate (X) -- (#3\unitlength,#4\unitlength);}%
+\endgroup
+}
+% \end{macrocode}
+% \end{macro}
+%
+% \begin{macro}{\Put@@@@Line}
+% \changes{v4.02}{2004/12/20}{For PS modes: Wedged bonds for stereochemistry}
+% \changes{v4.03}{2005/07/20}{For PS modes: Switch for wave bonds}
+% \changes{v5.00}{2010/10/01}{For PDF mode: a macro for putting a bond line. }
+%
+% Temporary count registers:
+% \begin{macrocode}
+\newcount\@tempcntXa \newcount\@tempcntYa \newcount\@tempcntz
+\newcount\@tempcntXb \newcount\@tempcntYb \newcount\@tempcntzz
+\newcount\@tempcntXc \newcount\@tempcntYc \newcount\@tempcntzzz
+% \end{macrocode}
+%
+% \begin{macrocode}
+\long\gdef\Put@@@@Line(#1,#2)(#3,#4)#5{%
+\begingroup
+%%x-coordinate
+\@tempcntXa=0\relax
+\ifnum#3>0\relax \@tempcntXa=#5\relax
+\else\ifnum#3<0\relax\@tempcntXa=-#5\relax\fi\fi
+\advance\@tempcntXa by#1\relax
+%%y-coordinate
+\@tempcntYa=#5\relax
+\ifnum#3=0\relax\else
+\multiply\@tempcntYa by#4\relax\multiply\@tempcntYa by10\relax
+\divide\@tempcntYa by#3\relax\divide\@tempcntYa by10\relax\fi
+\ifnum\@tempcntYa<0\relax
+\ifnum#4>0\relax\@tempcntYa=-\@tempcntYa\fi
+\else
+\ifnum\@tempcntYa>0\relax
+\ifnum#4<0\relax\@tempcntYa=-\@tempcntYa\fi\fi
+\fi
+\advance\@tempcntYa by#2\relax
+%
+\if@thicklinesw
+\if@wedgesw
+\ifmolfront%bold dash bond for skeletal bond for pyranose etc.
+\PUT@@@@bondLINE(#1,#2)(\the\@tempcntXa,\the\@tempcntYa){\thickLineWidth}%
+\else
+\if@skbondlist%bold dash bond skeletal bond for general cases
+\PUT@@@@bondLINE(#1,#2)(\the\@tempcntXa,\the\@tempcntYa){\thickLineWidth}%
+\else%wedged bond
+\ifnum#1=#3
+\@vertbondtrue\@horizbondfalse
+\else
+\ifnum#2=#4
+\@vertbondfalse\@horizbondtrue
+\else
+\@vertbondfalse\@horizbondfalse
+\fi\fi
+\stereo@wedgedimension(#3,#4){10}%
+\PUT@@@@wedgeLINE(#1,#2)(\the\@tempcntXb,\the\@tempcntYb)(\the\@tempcntXc,\the\@tempcntYc)%
+\fi\fi
+\else
+\PUT@@@@bondLINE(#1,#2)(\the\@tempcntXa,\the\@tempcntYa){\thickLineWidth}%
+\fi
+\else
+\ifwavebond
+\ifnum#1=#3
+\@vertbondtrue\@horizbondfalse
+\else
+\ifnum#2=#4
+\@vertbondfalse\@horizbondtrue
+\else
+\@vertbondfalse\@horizbondfalse
+\fi\fi
+\PUT@@@@wavyLINE(#1,#2)(\the\@tempcntXa,\the\@tempcntYa)%
+\else
+\PUT@@@@bondLINE(#1,#2)(\the\@tempcntXa,\the\@tempcntYa){\thinLineWidth}%
+\fi
+\fi
+\@tempcntXa=0\relax \@tempcntYa=0\relax
+\endgroup}%end of Put@@@@Line
+% \end{macrocode}
+% \end{macro}
+%
+% The macro |\stereo@wedgedimension| calculates the coordinates of three positions
+% for drawing a wedged bond, which is drawn by the |\pspolygon| command of the PSTricks package.
+%
+% \begin{macro}{stereo@wedgedimension}
+% \changes{v4.02}{2004/12/20}{For PS mode: Wedged bonds for stereochemistry}
+% \begin{macrocode}
+\newif\if@wedgeadjust
+\def\stereo@wedgedimension(#1,#2)#3{%
+\@tempcntXb=0\relax
+\@tempcntYb=0\relax
+\@tempcntXc=0\relax
+\@tempcntYc=0\relax
+%%
+\@wedgeadjustfalse
+\ifnum#1<0 \@tempcntzz=-#1\else\@tempcntzz=#1\fi
+\ifnum#2<0 \@tempcntzzz=-#2\else\@tempcntzzz=#2\fi
+\ifnum#1=0\else
+\multiply\@tempcntzzz by10\relax \divide\@tempcntzzz by\@tempcntzz\fi%% (3/5)x10=6
+\ifnum\@tempcntzzz>7\relax\else\@wedgeadjusttrue\fi
+%%one point of wedge
+\ifnum#1=0\relax
+\@tempcntXb=#3 \advance\@tempcntXb by8\relax
+\@tempcntYb=0\relax
+\else
+\ifnum#2=0\relax
+\@tempcntXb=0\relax
+\@tempcntYb=#3 \advance\@tempcntYb by8\relax
+\else
+\@tempcntXb=#3\relax
+\@tempcntYb=-#3\relax
+\if@wedgeadjust
+\advance\@tempcntXb by8\relax
+\advance\@tempcntYb by-8\relax
+\fi
+\multiply\@tempcntXb by#2\relax\multiply\@tempcntXb by10\relax
+\divide\@tempcntXb by#1\relax\divide\@tempcntXb by10\relax\fi\fi
+\advance\@tempcntXb by\@tempcntXa\relax
+\advance\@tempcntYb by\@tempcntYa\relax
+%%other point of wedge
+\ifnum#1=0\relax
+\@tempcntXc=-#3 \advance\@tempcntXc by-8\relax
+\@tempcntYc=0\relax
+\else
+\ifnum#2=0\relax
+\@tempcntXc=0\relax
+\@tempcntYc=-#3 \advance\@tempcntYc by-8\relax
+\else
+\@tempcntXc=-#3\relax
+\@tempcntYc=#3\relax
+\if@wedgeadjust
+\advance\@tempcntXc by-6\relax
+\advance\@tempcntYc by6\relax
+\fi
+\multiply\@tempcntXc by#2\relax\multiply\@tempcntXc by10\relax
+\divide\@tempcntXc by#1\relax\divide\@tempcntXc by10\relax\fi\fi
+\advance\@tempcntXc by\@tempcntXa\relax
+\advance\@tempcntYc by\@tempcntYa\relax
+}%%end of \stereo@wedgedimension
+% \end{macrocode}
+% \end{macro}
+%
+% The |Put@@@@Direct| macro is the same as the original command
+% |\put| for the LaTeX picture environment.
+%
+% \begin{macro}{Put@@@@Direct}
+% \changes{v5.00}{2010/10/01}{For PDF mode: a macro for putting an object. }
+% \begin{macrocode}
+\let\Put@@@@Direct=\put
+% \end{macrocode}
+% \end{macro}
+%
+% The macros |\Put@@@@oCircle| and |\Put@@@@sCircle| draw
+% small circles for designating original points.
+%
+% \begin{macro}{\Put@@@@oCircle}
+% \begin{macrocode}
+\def\Put@@@@oCircle(#1,#2)#3{\begingroup%
+ \@tempcntz=#3 \divide\@tempcntz by2\relax
+%dimension \pgf@xx or \pgf@yy overflow
+%\setbox0=\hbox{%
+%{\tikz[baseline=(X.base)]{%
+%\draw[scale=\@UScale,line width=0.4pt]%
+%(#1,#2) coordinate (X) circle (\@tempcntz);}}}%
+\setbox0=\hbox{%
+{\tikz[baseline=(X.base)]{%
+\draw[line width=0.4pt]%
+(#1\unitlength,#2\unitlength) coordinate (X) circle (\@tempcntz\unitlength);}}}%
+\put(#1,#2){\kern-0.5\wd0\hbox{\box0}}%
+\endgroup}
+% \end{macrocode}
+% \end{macro}
+%
+% \begin{macro}{\Put@@@@sCircle}
+% \begin{macrocode}
+\def\Put@@@@sCircle(#1,#2)#3{\begingroup%
+ \@tempcntz=#3 \divide\@tempcntz by2\relax
+%dimension pgf@xx or pgf@yy overflow
+%\setbox0=\hbox{%
+%{\tikz[baseline=(X.base)]{%
+%\draw[scale=\@UScale,line width=2pt]%
+%(#1,#2) coordinate (X) circle (\@tempcntz);}}}%
+\setbox0=\hbox{%
+{\tikz[baseline=(X.base)]{%
+\draw[line width=2pt]%
+(#1\unitlength,#2\unitlength) coordinate (X) circle (\@tempcntz\unitlength);}}}%
+\put(#1,#2){\kern-0.5\wd0\hbox{\box0}}%
+\endgroup}
+% \end{macrocode}
+% \end{macro}
+%
+% Dotted lines by the old macro |\d@@t@rline| are changed into hashed dash bonds
+% in the new macro |\d@@t@@rline| (|\@wedgeswfalse|). If |\@wedgeswtrue| is
+% declared (default), the new macro draws a hashed wedged bonds.
+%
+% \begin{macro}{d@@t@@rline}
+% \changes{v4.02}{2004/12/20}{Hashed wedged bonds for stereochemistry}
+% \changes{v5.00}{2010/10/01}{Renamed for PDF mode}
+% \begin{macrocode}
+\def\d@@t@@rline(#1,#2)(#3,#4)#5/(#6,#7)(#8,#9){%
+\if@hasheddashsw
+ \@ifundefined{tikz}{%
+ \XyMTeXWarning{A dottedline is replaced by a solid line.}%
+ \Put@Line(#1,#2)(#3,#4){#5}%
+ }{{\thicklines%
+ \h@shedd@shbond(#1,#2)(#3,#4){#5}/(#6,#7)(#8,#9)}}%
+\else
+\if@skbondlist%hashed dash bond skeletal bond for general cases
+ \@ifundefined{tikz}{%
+ \XyMTeXWarning{A dottedline is replaced by a solid line.}%
+ \Put@Line(#1,#2)(#3,#4){#5}%
+ }{{\thicklines%
+ \h@shedd@shbond(#1,#2)(#3,#4){#5}/(#6,#7)(#8,#9)}}%
+\else
+ \h@shedw@dgebond(#1,#2)(#3,#4){#5}/(#6,#7)(#8,#9)%
+\fi\fi
+}%end of \d@@t@@rline
+% \end{macrocode}
+% \end{macro}
+%
+% The inner macro |\h@shedd@shbond| works in the macro |\d@@t@@rline| for
+% drawing a hased dash bond.
+%
+% \begin{macro}{h@shedd@shbond}
+% \changes{v4.02}{2004/12/20}{For PS mode: Hashed dash bonds for stereochemistry}
+% \changes{v5.00}{2010/10/01}{Renamed for PDF mode: macro for
+% drawing a hashed dash bond after adjusting its joint position}
+% \begin{macrocode}
+\def\h@shedd@shbond(#1,#2)(#3,#4)#5/(#6,#7)(#8,#9){%
+\begingroup
+\@tempcntzz=12\relax
+\@tempcntzzz=-30\relax%almost no shortening
+\bond@shorten(#1,#2)(#3,#4){#5}/(#6,#7)(#8,#9)%
+%\ifdim\unitlength>0.08pt
+%\setbox0=\hbox{%
+%\tikz[baseline=(X.base)]{%
+%\draw[dashed,line width=\thickLineWidth,dash pattern=on 1pt off 1.2pt]%
+%(\@tempcntXb\unitlength,\@tempcntYb\unitlength) coordinate (X) --%
+%(\@tempcntXc\unitlength,\@tempcntYc\unitlength);}}%
+%\else
+%\setbox0=\hbox{%
+%\tikz[baseline=(X.base)]{%
+%\draw[dashed,line width=\thickLineWidth,dash pattern=on 0.8pt off 1pt]%
+%(\@tempcntXb\unitlength,\@tempcntYb\unitlength) coordinate (X) --%
+%(\@tempcntXc\unitlength,\@tempcntYc\unitlength);}}%
+%\fi
+%\PutSimpleBondBox(\the\@tempcntXb,\the\@tempcntYb)(\the\@tempcntXc,\the\@tempcntYc){\box0}%
+\ifdim\unitlength>0.08pt
+\tikznodimension{%
+\draw[dashed,line width=\thickLineWidth,dash pattern=on 1pt off 1.2pt]%
+(\@tempcntXb\unitlength,\@tempcntYb\unitlength) coordinate (X) --%
+(\@tempcntXc\unitlength,\@tempcntYc\unitlength);}%
+\else
+\tikznodimension{%
+\draw[dashed,line width=\thickLineWidth,dash pattern=on 0.8pt off 1pt]%
+(\@tempcntXb\unitlength,\@tempcntYb\unitlength) coordinate (X) --%
+(\@tempcntXc\unitlength,\@tempcntYc\unitlength);}%
+\fi
+\endgroup}
+% \end{macrocode}
+% \end{macro}
+%
+% The inner macro |\h@shedw@dgebond| works in the macro |\d@@t@@rline| for
+% drawing a hashed wedged bond.
+%
+%
+% \begin{macro}{h@shedw@dgebond}
+% \changes{v4.02}{2004/12/20}{For PS mode: Hashed wedged bonds for stereochemistry}
+% \changes{v5.00}{2010/10/01}{For PDF mode: Hashed wedged bonds for stereochemistry}
+% \begin{macrocode}
+\def\h@shedw@dgebond(#1,#2)(#3,#4)#5/(#6,#7)(#8,#9){%
+\begingroup
+\@tempcntXa=#8\relax
+\@tempcntYa=#9\relax
+\stereo@wedgedimension(#3,#4){10}%
+\XyMTeXnumf=\@tempcntXb
+\XyMTeXnumg=\@tempcntYb
+\XyMTeXnumh=\@tempcntXc
+\XyMTeXnumi=\@tempcntYc
+\@tempcntzz=5\relax
+\@tempcntzzz=-12\relax
+\bond@shorten(#1,#2)(#3,#4){#5}/(#6,#7)(#8,#9)%
+%\setbox0=\hbox{%
+%\tikz[baseline=(X.base)]{%
+%\filldraw[black,line cap=round]%
+%(#1\unitlength,#2\unitlength) coordinate (X) --%
+%(\XyMTeXnumf\unitlength,\XyMTeXnumg\unitlength) --%
+%(\XyMTeXnumh\unitlength,\XyMTeXnumi\unitlength) -- (#1\unitlength,#2\unitlength);%
+%\draw[dashed,line width=4pt,dash pattern=on 1pt off 1.2pt,color=white]%
+%(\@tempcntXb\unitlength,\@tempcntYb\unitlength) --%
+%(\@tempcntXc\unitlength,\@tempcntYc\unitlength);%
+%}}%
+%\PutBondBox(#1,#2)(\the\@tempcntXc,\the\@tempcntYc){\box0}%
+\tikznodimension{%
+\filldraw%
+(#1\unitlength,#2\unitlength) --%
+(\XyMTeXnumf\unitlength,\XyMTeXnumg\unitlength) --%
+(\XyMTeXnumh\unitlength,\XyMTeXnumi\unitlength) -- (#1\unitlength,#2\unitlength);%
+\draw[dashed,line width=4pt,dash pattern=on 1pt off 1.2pt,color=white]%
+(\@tempcntXb\unitlength,\@tempcntYb\unitlength) --%
+(\@tempcntXc\unitlength,\@tempcntYc\unitlength);}%
+\endgroup
+}%%end of \h@shedw@dgebond
+% \end{macrocode}
+% \end{macro}
+%
+% The inner macro |\bond@shorten| works in the macros |\h@shedd@shbond| and |\h@shedw@dgebond| for
+% shortening the resulting hashed bonds. This macro calculates the coordinates of the staring
+% point and the end point.
+%
+% \begin{macro}{bond@shorten}
+% \changes{v4.02}{2004/12/20}{Hashed forms for dash and wedged bonds}
+% \begin{macrocode}
+\def\bond@shorten(#1,#2)(#3,#4)#5/(#6,#7)(#8,#9){%
+\@tempcntXb=#8\relax
+\@tempcntYb=#9\relax
+\advance\@tempcntXb by-#6\relax \divide\@tempcntXb by\@tempcntzz\relax
+\advance\@tempcntYb by-#7\relax \divide\@tempcntYb by\@tempcntzz\relax
+\advance\@tempcntXb by#6\relax
+\advance\@tempcntYb by#7\relax
+\@tempcntXc=#8\relax
+\@tempcntYc=#9\relax
+\advance\@tempcntXc by-#6\relax \divide\@tempcntXc by\@tempcntzzz\relax
+\advance\@tempcntYc by-#7\relax \divide\@tempcntYc by\@tempcntzzz\relax
+\advance\@tempcntXc by#8\relax
+\advance\@tempcntYc by#9\relax
+}%%end of \bondshorten
+% \end{macrocode}
+% \end{macro}
+%
+% Skeletal bold bonds can be changed into wedges, where
+% |\WedgeAsSubst| is described in an ATOMLIST as a kind of
+% spiro substituent.
+%
+% \begin{macro}{WedgeAsSubst}
+% \changes{v4.02}{2004/12/20}{For PS mode: Wedged skeletal bonds}
+% \changes{v5.00}{2010/10/01}{For PDF mode: Checked OK}
+% \begin{macrocode}
+\def\WedgeAsSubstPDF(#1,#2)(#3,#4)#5{%
+\begingroup
+\@thicklineswtrue \@wedgeswtrue
+\molfrontfalse \@skbondlistfalse
+\Put@@@@Line(#1,#2)(#3,#4){#5}%
+\endgroup}
+\let\WedgeAsSubst=\WedgeAsSubstPDF%for compatibility to PS mode
+% \end{macrocode}
+% \end{macro}
+%
+% The macro |\stereo@wedgedimensionX| has a starting point,
+% an endpoint, and the width of a wedge as its arguments.
+% Compare this command with |\stereo@wedgedimension|, which has
+% a starting point, a slope, and the width of a wedge
+% as its arguments.
+%
+% \begin{macro}{stereo@wedgedimensionX}
+% \changes{v5.01}{2013/05/27}{dimension of wedge}
+% \begin{macrocode}
+\def\stereo@wedgedimensionX(#1,#2)(#3,#4){%
+\@ifnextchar[{\stereo@@wedgedimensionX(#1,#2)(#3,#4)}%
+{\stereo@@wedgedimensionX(#1,#2)(#3,#4)[10]}}
+\def\stereo@@wedgedimensionX(#1,#2)(#3,#4)[#5]{%
+\@tempcnta=-#1\relax
+\advance\@tempcnta by#3\relax
+%%\typeout{KKK:\the\@tempcnta}%
+\@tempcntb=-#2\relax
+\advance\@tempcntb by#4\relax
+%%%\typeout{LLL:\the\@tempcntb}%
+\stereo@wedgedimension(\the\@tempcnta,\the\@tempcntb){#5}%
+%%%\typeout{MMM; (\the\@tempcntXb,\the\@tempcntYb)(\the\@tempcntXc,\the\@tempcntYc)}
+\advance\@tempcntXb by#3\relax
+\advance\@tempcntYb by#4\relax
+\advance\@tempcntXc by#3\relax
+\advance\@tempcntYc by#4\relax}
+% \end{macrocode}
+% \end{macro}
+%
+% The macro |\WedgeAsSubstX| has a starting point,
+% an endpoint, and the width of a wedge as its arguments.
+% Compare this command with |\WedgeAsSubst|, which has
+% a starting point, a slope, and the width of a wedge
+% as its arguments.
+%
+% \begin{macro}{WedgeAsSubstX}
+% \changes{v5.01}{2013/05/27}{For PDF mode: Checked OK}
+% \begin{macrocode}
+\def\WedgeAsSubstXPDF(#1,#2)(#3,#4){%
+\@ifnextchar[{\Wedge@AsSubstXPDF(#1,#2)(#3,#4)}%
+{\Wedge@AsSubstXPDF(#1,#2)(#3,#4)[10]}}
+\def\Wedge@AsSubstXPDF(#1,#2)(#3,#4)[#5]{%
+\begingroup
+\stereo@wedgedimensionX(#1,#2)(#3,#4)[#5]%
+\PUT@@@@wedgeLINE(#1,#2)(\the\@tempcntXb,\the\@tempcntYb)(\the\@tempcntXc,\the\@tempcntYc)%
+\endgroup}
+\let\WedgeAsSubstX=\WedgeAsSubstXPDF%for compatibility to PDF mode
+% \end{macrocode}
+% \end{macro}
+%
+% The macro |\NumR@und| gives a round integer.
+% For example 1.99996 is transformed into 2. A negative
+% value is permitted.
+%
+% \begin{macro}{\NumR@und}
+% \changes{v5.00}{2010/10/01}{For PDF mode}
+% \begin{macrocode}
+\def\NumR@und#1.#2#3\@nil{%shishagonyu
+\begingroup
+\XyMTeXcnta=0 \XyMTeXcntb=0\relax
+\XyMTeXcnta=#1 %%\typeout{A:\the\XyMTeXcnta;}
+\XyMTeXcntb=#2 %%\typeout{B:\the\XyMTeXcntb;}
+\ifnum\XyMTeXcnta>0\relax
+\ifnum\XyMTeXcntb<5 \else
+\advance\XyMTeXcnta by1 %%\typeout{C:\the\XyMTeXcnta;}
+\fi
+\else
+\ifnum\XyMTeXcntb<5 \else
+\advance\XyMTeXcnta by-1 %%\typeout{C:\the\XyMTeXcnta;}
+\fi\fi\xdef\@yzobun{\the\XyMTeXcnta}\endgroup}
+% \end{macrocode}
+% \end{macro}
+%
+% The macro |\zahyozobun| calculates the increments of x- and y-coordinates
+% by starting from a slope of the LaTeX picture environment.
+% For example, the slope (5,3) (for the argument \verb/(#3,#4)/ and the x-increment \verb/#5/=171)
+% is transformed to give an x-increment (\verb/\@xzobun/ = 171) and
+% an y-increment (\verb/\@yzobun/ = 103). When the slope is (0,1) etc., we put the
+% x-increment (\verb/\@xzobun/ = 0) and y-increment (\verb/\@yzobun/ = \verb/#5/).
+%
+% \begin{macro}{\zahyozobun}
+% \changes{v5.00}{2010/10/01}{For PDF mode}
+% \changes{v5.01}{2013/03/10}{Bug fix for the slope (0,1) etc.}
+% \begin{macrocode}
+{\catcode`\p=12 \catcode`\t=12
+\gdef\zobunGain#1pt{\gdef\@zobun{#1}}}
+
+\def\zahyozobun(#1,#2)(#3,#4)#5{%
+\@tempdima=#5\unitlength
+\@tempdimb=#3\unitlength
+\@tempcnta=\@tempdima
+\ifdim\@tempdimb<0pt
+\@tempcntb=-\@tempdimb
+\else
+\@tempcntb=\@tempdimb
+\fi
+%%
+\ifdim\@tempdimb=0pt%bugfix 2013/02/06
+\else
+%%
+\multiply\@tempcntb by10\relax
+\divide\@tempcntb by65536%
+\divide\@tempdima by \@tempcntb
+\multiply\@tempdima by#4\relax
+\multiply\@tempdima by10 %%\typeout{D:\the\@tempdima}
+\expandafter\zobunGain\the\@tempdima%
+\expandafter\NumR@und\@zobun\@nil
+\fi%%%
+\ifnum#3<0
+\xdef\@xzobun{-#5}%
+\else
+\ifnum#3=0%bugfix 2013/02/06
+\xdef\@xzobun{#3}%
+\ifnum#4<0
+\xdef\@yzobun{-#5}%
+\else
+\xdef\@yzobun{#5}%
+\fi%bugfix 2013/02/06
+\else
+\xdef\@xzobun{#5}%
+\fi
+\fi
+}
+% \end{macrocode}
+% \end{macro}
+%
+% The inner macro |\bond@sh@rten| works in a similar way to |\bond@shorten| for
+% shortening the resulting hashed bonds. This macro calculates the coordinates of the starting
+% point and the end point.
+%
+% \begin{macro}{\bond@sh@rten}
+% \changes{v5.00}{2010/10/01}{For PDF mode: Hashed forms for dash and wedged bonds}
+% \begin{macrocode}
+\def\bond@sh@rten(#1,#2)(#3,#4)#5{%%%%%%%/(#6,#7)(#8,#9){%
+\zahyozobun(#1,#2)(#3,#4){#5}%
+\@tempcntXb=\@xzobun\relax%%\typeout{SSS:\@xzobun}
+\@tempcntYb=\@yzobun\relax%%\typeout{TTT:\@yzobun}
+\divide\@tempcntXb by\@tempcntzz\relax
+\divide\@tempcntYb by\@tempcntzz\relax
+\advance\@tempcntXb by#1\relax
+\advance\@tempcntYb by#2\relax
+\@tempcntXc=\@xzobun\relax%%\typeout{KKKK:\@xzobun}
+\@tempcntYc=\@yzobun\relax%%\typeout{LLLL:\@yzobun}
+\divide\@tempcntXc by\@tempcntzzz\relax
+\divide\@tempcntYc by\@tempcntzzz\relax
+\advance\@tempcntXc by#1\relax
+\advance\@tempcntXc by\@xzobun\relax%%\typeout{AAAA:\the\@tempcntXc}
+\advance\@tempcntYc by#2\relax
+\advance\@tempcntYc by\@yzobun\relax%%\typeout{BBBB:\the\@tempcntYc}
+}%%end of \bondshorten
+% \end{macrocode}
+% \end{macro}
+
+% Skeletal hashed dash bonds can be changed into hashed wedges, where
+% |\HashWedgeAsSubst| is described in an ATOMLIST as a kind of
+% spiro substituent. This macro is essentially equivalent to
+% the macro |h@shedw@dgebond|, whose last four arguments are omitted.
+%
+% \begin{macro}{HashWedgeAsSubst}
+% \changes{v4.02}{2004/12/20}{For PS mode: Hashed wedged bonds for stereochemistry}
+% \changes{v5.00}{2010/10/01}{For PDF mode: Hashed wedged bonds for stereochemistry}
+% \begin{macrocode}
+\def\HashWedgeAsSubstPDF(#1,#2)(#3,#4)#5{%
+\begingroup
+\zahyozobun(#1,#2)(#3,#4){#5}%
+\@tempcntXa=\@xzobun\relax
+\advance\@tempcntXa by#1\relax
+\@tempcntYa=\@yzobun\relax
+\advance\@tempcntYa by#2\relax
+\stereo@wedgedimension(#3,#4){10}%
+\XyMTeXnumf=\@tempcntXb%%\typeout{CCCCF:\the\XyMTeXnumf}
+\XyMTeXnumg=\@tempcntYb%%\typeout{CCCCG:\the\XyMTeXnumg}
+\XyMTeXnumh=\@tempcntXc%%\typeout{CCCCH:\the\XyMTeXnumh}
+\XyMTeXnumi=\@tempcntYc%%\typeout{CCCCI:\the\XyMTeXnumi}
+\@tempcntzz=5\relax
+\@tempcntzzz=-12\relax
+\bond@sh@rten(#1,#2)(#3,#4){#5}%
+%\setbox0=\hbox{%
+%\tikz[baseline=(X.base)]{%
+%\filldraw[black,line cap=round]%
+%(#1\unitlength,#2\unitlength) coordinate (X) --%
+%(\XyMTeXnumf\unitlength,\XyMTeXnumg\unitlength) --%
+%(\XyMTeXnumh\unitlength,\XyMTeXnumi\unitlength) -- (#1\unitlength,#2\unitlength);%
+%\draw[dashed,line width=4pt,dash pattern=on 1pt off 1.2pt,color=white]%
+%(\@tempcntXb\unitlength,\@tempcntYb\unitlength) --%
+%(\@tempcntXc\unitlength,\@tempcntYc\unitlength);%
+%}}%
+%\PutBondBox(#1,#2)(\the\@tempcntXc,\the\@tempcntYc){\box0}%
+\tikznodimension{%
+\filldraw%
+(#1\unitlength,#2\unitlength) coordinate (X) --%
+(\XyMTeXnumf\unitlength,\XyMTeXnumg\unitlength) --%
+(\XyMTeXnumh\unitlength,\XyMTeXnumi\unitlength) -- (#1\unitlength,#2\unitlength);%
+\draw[dashed,line width=4pt,dash pattern=on 1pt off 1.2pt,color=white]%
+(\@tempcntXb\unitlength,\@tempcntYb\unitlength) --%
+(\@tempcntXc\unitlength,\@tempcntYc\unitlength);}%
+\endgroup
+}%%end of \HashWedgeAsSubstPDF
+\let\HashWedgeAsSubst=\HashWedgeAsSubstPDF%For compatibility to PS mode
+% \end{macrocode}
+% \end{macro}
+%
+% The macro |\HashWedgeAsSubstX| has a starting point,
+% an endpoint, and the width of a wedge as its arguments.
+% Compare this command with |\HashWedgeAsSubst|, which has
+% a starting point, a slope, and the width of a wedge
+% as its arguments.
+%
+% \begin{macro}{HashWedgeAsSubstX}
+% \changes{v5.01}{2013/05/27}{For PDF mode: Hashed wedged bonds for stereochemistry}
+% \begin{macrocode}
+\def\HashWedgeAsSubstXPDF(#1,#2)(#3,#4){%
+\@ifnextchar[{\HashWedge@AsSubstXPDF(#1,#2)(#3,#4)}%
+{\HashWedge@AsSubstXPDF(#1,#2)(#3,#4)[10]}}
+\def\HashWedge@AsSubstXPDF(#1,#2)(#3,#4)[#5]{%
+\begingroup
+\WedgeAsSubstXPDF(#1,#2)(#3,#4)[#5]%
+\@tempdima=#5\unitlength \multiply\@tempdima by3\relax
+\advance\@tempdima by1pt%adjustment
+\tikznodimension{%
+\draw[dashed,line width=\@tempdima,
+dash pattern=on 1pt off 1.2pt,color=white]%
+(#1\unitlength,#2\unitlength) --%
+(#3\unitlength,#4\unitlength);}%
+\endgroup
+}%%end of \HashWedgeAsSubstXPDF
+\let\HashWedgeAsSubstX=\HashWedgeAsSubstXPDF%For compatibility to PDF mode
+% \end{macrocode}
+% \end{macro}
+%
+% Skeletal bold bonds can be changed into wavy bonds, where
+% |\WavyAsSubst| is described in an ATOMLIST as a kind of
+% spiro substituent.
+%
+% \begin{macro}{\WavyAsSubst}
+% \changes{v5.01}{2004/06/21}{For PDF mode: Wavy skeletal bonds}
+% \begin{macrocode}
+\def\WavyAsSubstPDF(#1,#2)(#3,#4)#5{%
+\begingroup
+\wavebondtrue
+\Put@@@@Line(#1,#2)(#3,#4){#5}%
+\endgroup}
+\let\WavyAsSubst=\WavyAsSubstPDF%for compatibility to PS mode
+% \end{macrocode}
+% \end{macro}
+%
+% The macro |\WavyAsSubstX| has a starting point,
+% an endpoint, and the width of a wedge as its arguments.
+% Compare this command with |\WavyAsSubst|, which has
+% a starting point, a slope, and the width of a wedge
+% as its arguments.
+%
+% \begin{macro}{WedgeAsSubstX}
+% \changes{v5.01}{2013/06/21}{For PDF mode: Checked OK}
+% \begin{macrocode}
+\let\WavyAsSubstXPDF=\PUT@@@@wavyLINE
+\let\WavyAsSubstX=\WavyAsSubstXPDF%for compatibility to PS mode
+% \end{macrocode}
+% \end{macro}
+%
+% The command \cs{downnobond} is redefined for pstricks.
+% \begin{macro}{\upnobond}
+% \begin{macro}{\downnobond}
+% \begin{macrocode}
+%\def\upnobond#1#2{%nochange
+%\hbox{\hbox to0.72em{\hss#1\hss}\kern-0.72em\raise2.2ex\hbox{#2}}}
+\def\downnobond#1#2{%
+\hbox{\smash{\hbox to0.72em{\hss#1\hss}\kern-0.72em\lower2.2ex\hbox{#2}}}}
+% \end{macrocode}
+% \end{macro}
+% \end{macro}
+%
+% The macro |\PUT@@@@dashedLINE| is used to draw a dashed bond line,
+% which usually links two non-adjacent atoms of a cyclic compound.
+% This macro relies on the |\tikz| graphic enviroment.
+%
+% \begin{macro}{\PUT@@@@dashedLINE}
+% \begin{macro}{\PutPDFdashed}
+% \begin{macro}{\PutDashedBond}
+% \changes{v5.00}{2010/10/01}{For PDF mode}
+% \begin{macrocode}
+\def\PUT@@@@dashedLINE(#1,#2)(#3,#4)#5{%
+\begingroup
+%\ifdim\unitlength>0.08pt
+%\setbox0=\hbox{%
+%\tikz[baseline=(X.base)]{%
+%\draw[dashed,line width=#5,dash pattern=on 1pt off 1.2pt]%
+%(#1\unitlength,#2\unitlength) -- (#3\unitlength,#4\unitlength);}}%
+%\else
+%\setbox0=\hbox{%
+%\tikz[baseline=(X.base)]{%
+%\draw[dashed,line width=#5,dash pattern=on 0.8pt off 1pt]%
+%(#1\unitlength,#2\unitlength) -- (#3\unitlength,#4\unitlength);}}%
+%\fi
+%\PutSimpleBondBox(#1,#2)(#3,#4){\box0}%
+\ifdim\unitlength>0.08pt
+\tikznodimension{%
+\draw[dashed,line width=#5,dash pattern=on 1pt off 1.2pt]%
+(#1\unitlength,#2\unitlength) -- (#3\unitlength,#4\unitlength);}%
+\else
+\tikznodimension{%
+\draw[dashed,line width=#5,dash pattern=on 0.8pt off 1pt]%
+(#1\unitlength,#2\unitlength) -- (#3\unitlength,#4\unitlength);}%
+\fi
+\endgroup
+}
+\let\PutPDFdashed=\PUT@@@@dashedLINE%for user's use
+\let\PutDashedBond=\PUT@@@@dashedLINE%for compatibility to PS mode
+% \end{macrocode}
+% \end{macro}
+% \end{macro}
+% \end{macro}
+%
+% The macro |\set@xy@PDFcoords| is used in the macro |\putRoundArrowPDF|
+% for drawing round arrows. This command supports a format-changing
+% mechanism to assure the compatibility to the PostScript mode.
+%
+% \begin{macro}{\Temp@ArCords}
+% \begin{macro}{\set@xy@PDFcoords}
+% \changes{v5.00}{2010/10/01}{For PDF mode}
+% \begin{macrocode}
+\newtoks\Temp@ArCords \Temp@ArCords={}
+\def\set@xy@PDFcoords(#1,#2){%
+\ifnum\@tempcnta=1\relax
+\Temp@ArCords={(#1\unitlength,#2\unitlength) }\else
+\expandafter\Temp@ArCords\expandafter{\the\Temp@ArCords -- %
+(#1\unitlength,#2\unitlength)}\fi}
+% \end{macrocode}
+% \end{macro}
+% \end{macro}
+%
+% The macro |\setRoundArrPDF| is used in the macro |\putRoundArrowPDF|
+% for drawing round arrows. This command is based on |\tikznodimension|
+% to draw round arrows. The letter string |\RoundedCornersWidth| stores
+% the standard roundness st a corner point.
+%
+% \begin{macro}{\RoundedCornersWidth}
+% \begin{macro}{\setRoundArrPDF}
+% \changes{v5.00}{2010/10/01}{For PDF mode}
+% \begin{macrocode}
+\def\RoundedCornersWidth{4pt}
+\def\setRoundArrPDF#1{%
+\ifnum\@tempcnta>5\relax
+\def\RoundedCornersWidth{4pt}%
+\else
+\def\RoundedCornersWidth{8pt}\fi
+\tikznodimension{%
+\draw[\RoundArrowHead,line width=0.4pt,%
+rounded corners=\RoundedCornersWidth]#1;}}%
+% \end{macrocode}
+% \end{macro}
+% \end{macro}
+%
+% The macro |\putRoundArrowPDF| throws its main task to its inner
+% macro |\putRound@rrowPDF|, which treats an optional argument
+% for specifying the direction of an arrow head and reads coordinates
+% repeatedly by using |\@forendparenthesis|. The |\@forendparenthesis|
+% command is defined in the \textsf{chemstr} package.
+% The macro |\putRoundArrow| is defined as a user command to
+% assure the compatibility to the PostScriot mode.
+%
+% \begin{macro}{\putRoundArrowPDF}
+% \begin{macro}{\putRound@rrowPDF}
+% \begin{macro}{\putRoundArrow}
+% \changes{v5.00}{2010/10/01}{For PDF mode}
+% \begin{macrocode}
+\def\putRoundArrowPDF{%
+\@ifnextchar[{\putRound@rrowPDF}{\putRound@rrowPDF[->]}}
+\def\putRound@rrowPDF[#1]#2{%
+\edef\RoundArrowHead{#1}%
+\Temp@ArCords={}\@tempcnta=\@ne\relax
+\@forendparenthesis\member:=#2\do{%
+\ifx\member\empty\else
+\expandafter\set@xy@PDFcoords\member)\fi
+\advance\@tempcnta\@ne}%
+\expandafter\setRoundArrPDF\expandafter{\the\Temp@ArCords}%
+}
+\let\putRoundArrow=\putRoundArrowPDF
+% \end{macrocode}
+% \end{macro}
+% \end{macro}
+% \end{macro}
+%
+% The command |\changeunitlength| is redefined for using the pgf (tikz) package.
+% The pgf package uses ``scale'' in optional designations in place of
+% the setting by \verb/\unitlength/. The setting of \verb/\unitlength=0.1pt/ is
+% regarded as corresponding to \verb/scale=0.00357/, which is stored in
+% \verb/\@UScale/ after it is obtained by the \verb/\setUnitScale/ command.
+% \begin{macro}{\changeunitlength}
+% \begin{macro}{\UScaleGain}
+% \begin{macro}{\setUnitScale}
+% \begin{macrocode}
+%%added 2010/08/17
+{\catcode`\p=12 \catcode`\t=12
+\gdef\UScaleGain#1pt{\gdef\@UScale{#1}}}
+\def\setUnitScale#1{%
+\@tempdima=#1 \dimen0=1cm
+\@tempcnta=\@tempdima
+\@tempcntb=\dimen0
+\divide\@tempcntb by65536%
+\divide\@tempdima by \@tempcntb
+\expandafter\UScaleGain\the\@tempdima}
+\setUnitScale{0.1pt}%standard setting
+%%%
+\newif\ifsizereduction\sizereductionfalse
+\def\@@@changeunitlength#1{\unitlength=#1\relax
+\setUnitScale{#1}%%% scale=\@UScale
+\ifdim\unitlength<0.1pt \sizereductiontrue
+\ifdim\unitlength<0.062pt \let\substfontsize=\tiny \else
+\ifdim\unitlength<0.072pt \let\substfontsize=\scriptsize \else
+\ifdim\unitlength<0.082pt \let\substfontsize=\footnotesize
+\fi\fi\fi
+\else \let\substfontsize=\normalsize\fi}
+% \end{macrocode}
+% \end{macro}
+% \end{macro}
+% \end{macro}
+%
+% \begin{macro}{\red etc.}
+% \changes{v5.00}{2010/10/01}{bond coloring for PDF mode}
+% \begin{macrocode}
+\def\red{\color{red}}
+\def\green{\color{green}}
+\def\blue{\color{blue}}
+\def\cyan{\color{cyan}}
+\def\magenta{\color{magenta}}
+\def\yellow{\color{yellow}}
+\def\black{\color{black}}
+\def\white{\color{white}}
+% \end{macrocode}
+% \end{macro}
+%
+% \begin{macro}{\xymcolor}
+% \begin{macro}{\redx etc.}
+% These macros are defined to avoid \texttt{**Warning** color stack underflow}
+% during processing by the dvipdfmx converter.
+% \changes{v5.00}{2010/10/01}{Added: Colors for TeX/LaTeX mode}
+% \begin{macrocode}
+\def\xymcolor#1#2{\mbox{\color{#1}#2}}
+%defined in the bondcolor packag
+%\def\redx#1{\xymcolor{red}{#1}}
+%\def\bluex#1{\xymcolor{blue}{#1}}
+%\def\greenx#1{\xymcolor{green}{#1}}
+%\def\blackx#1{\xymcolor{black}{#1}}
+%\def\cyanx#1{\xymcolor{cyan}{#1}}
+%\def\yellowx#1{\xymcolor{yellow}{#1}}
+%\def\magentax#1{\xymcolor{magenta}{#1}}
+%\def\whitex#1{\xymcolor{white}{#1}}
+% \end{macrocode}
+% \end{macro}
+% \end{macro}
+%
+% \begin{macro}{\Color@@@@Line}
+% \changes{v5.00}{2010/10/01}{For coloring skeletal bond in PDF mode}
+% The last argument (\#7) specifies a line color.
+% This command is used in the definition of |\replaceSKbond|
+% of the \textsf{bondcolor} package by putting \verb/#7=white/.
+% \begin{macro}{\Color@Line}
+% \begin{macrocode}
+\def\Color@@@@Line{%
+\@ifnextchar[{\C@lor@@@@Line}{\C@lor@@@@Line[0.4pt]}}
+\def\C@lor@@@@Line[#1](#2,#3)(#4,#5)#6#7{%
+\begingroup
+\SlopetoXY(#2,#3)(#4,#5){#6}%%
+\@tempdime=\unitlength \multiply\@tempdime by#2\relax
+\@tempdimb=\unitlength \multiply\@tempdimb by#3\relax
+\@tempdimc=\unitlength \multiply\@tempdimc by\@tempcntXa\relax
+\@tempdimd=\unitlength \multiply\@tempdimd by\@tempcntYa\relax
+\tikznodimension{%
+\draw[line width=#1,color=#7]%
+(\@tempdime,\@tempdimb) --(\@tempdimc,\@tempdimd);}%
+\endgroup}%end of \Color@@@@Line
+\let\Color@Line=\Color@@@@Line%for PDF mode
+% \end{macrocode}
+% \end{macro}
+% \end{macro}
+%
+% \begin{macro}{setxymtxpdf}
+% \changes{v5.00}{2010/10/01}{For PDF mode}
+% \begin{macrocode}
+\def\setxymtxpdf{%
+\@ifnextchar[{\@setxymtxpdf}{\@setxymtxpdf[0.1pt]}}
+\def\@setxymtxpdf[#1]{%
+\PDFmodetrue
+\let\sfpicture=\picture
+\let\endsfpicture=\endpicture
+\let\thicklines=\Thick@Lines
+\let\thinlines=\Thin@Lines
+\let\Put@Line=\Put@@@@Line
+\let\Color@Line=\Color@@@@Line%for PDF mode
+\let\Put@Direct=\Put@@@@Direct
+\let\Put@oCircle=\Put@@@@oCircle
+\let\Put@sCircle=\Put@@@@sCircle
+\let\dotorline=\d@@t@@rline
+\let\WedgeAsSubst=\WedgeAsSubstPDF%for compatibility to PS mode
+\let\HashWedgeAsSubst=\HashWedgeAsSubstPDF%For compatibility to PS mode
+\let\WedgeAsSubstX=\WedgeAsSubstXPDF%for compatibility to PDF mode
+\let\HashWedgeAsSubstX=\HashWedgeAsSubstXPDF%For compatibility to PDF mode
+\let\PutBondLine=\PUT@@@@bondLINE%for user's use
+\let\PutDashedBond=\PUT@@@@dashedLINE%for compatibility to PS mode
+\let\putRoundArrow=\putRoundArrowPDF%for compatibility to PS mode
+\let\changeunitlength=\@@@changeunitlength
+\changeunitlength{#1}%
+\wedgehasheddash%
+}
+\setxymtxpdf
+%</xymtxpdf>
+% \end{macrocode}
+% \end{macro}
+%
+% \Finale
+%
+\endinput