{\catcode`\|=0 |catcode`|\=12 |obeyspaces |let|m=|message
|m{                                                                        }
|m{  These macros may be used free of charge and without authorization     }
|m{  for scientific work only.  Written permission is required for any     }
|m{  commercial use.  If used in publications, citation similar to the     }
|m{  following reference is required:                                      }
|m{                                                                        }
|m{  Michael Ramek,                                                        }
|m{  ``Chemical Structure Formul\ae\ and x/y-Diagrams with \TeX'',         }
|m{  in                                                                    }
|m{  ``\TeX: Applications, Uses, Methods, Proceedings of the \TeX88        }
|m{  Conference'',                                                         }
|m{  edited by Malcolm Clark,                                              }
|m{  published by Ellis Horwood Publishers, Chichester, UK,                }
|m{  pages 227--258                                                        }
|m{                                                                        }
|m{  Questions and inquiries should be addressed to the author:            }
|m{                                                                        }
|m{  Michael Ramek                                                         }
|m{  Institut f\"ur Physikalische und Theoretische Chemie,                 }
|m{  Technische Universit\"at Graz                                         }
|m{  Rechbauerstra{\ss}e 12                                                }
|m{  A--8010 Graz                                                          }
|m{  Austria                                                               }
|m{     }|m{}}
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{ncomplete aromatic system in side chain ignored!}%
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\advance\dimen1 by.031\em\kern-.093\em%
\raise\dimen1\copy0\advance\dimen1 by-.062\em\kern-\wd0%
\kern.186\em\raise\dimen1\box0\kern-.093\em%
\advance\dimen1 by.031\em\postadjUstssw}%
\def\sswtriple{\halfbAck\sAve{/}\adjUstssw%
\advance\dimen1 by.062\em\kern-.186\em%
\raise\dimen1\copy0\advance\dimen1 by-.062\em\kern-\wd0%
\kern.186\em\raise\dimen1\copy0\advance\dimen1 by-.062\em%
\kern-\wd0\kern.186\em\raise\dimen1\box0%
\kern-.186\em\advance\dimen1 by.062\em\postadjUstssw}%
\def\sswgenerAl#1{\halfbAck\sAve{#1}\adjUstssw%
\raise\dimen1\box0\postadjUstssw}%
\def\adjUstssw{\kern-1.1\dimen6\advance\dimen1 by-\dimen5%
\advance\dimen4 by-1.1\dimen6\advance\dimen0 by-1.1\dimen6}%
\def\postadjUstssw{\advance\dimen1 by-1.111111\dimen5%
\kern-1.4\dimen6\advance\dimen0 by-1.4\dimen6%
\advance\dimen4 by-1.4\dimen6\count23=1}%
%
\def\swphantom{\fullbAck\nestrIch\phAntbox%
\advance\dimen1 by-1.054\em\fullbAck\raise\dimen1\box0%
\fullbAck\count23=2}%
\def\swsingle{\fullbAck\nestrIch\advance\dimen1 by-1.054\em%
\fullbAck\raise\dimen1\box0\fullbAck\count23=2}%
\def\swdouble{\fullbAck\nestrIch%
\advance\dimen1 by-1.1247\em\fullbAck\kern.0707\em%
\raise\dimen1\copy0\kern-\wd0\kern-.1414\em%
\advance\dimen1 by.1414\em\raise\dimen1\box0\kern.0707\em%
\fullbAck\advance\dimen1 by-.0707\em\count23=2}%
\def\swtriple{\fullbAck\nestrIch\advance\dimen1 by-1.054\em%
\fullbAck\raise\dimen1\copy0\kern-\wd0\kern-.1414\em%
\advance\dimen1 by.1414\em\raise\dimen1\copy0\kern-\wd0%
\kern.2828\em\advance\dimen1 by-.2828\em\raise\dimen1\box0%
\kern-.1414\em\fullbAck\advance\dimen1 by.1414\em%
\count23=2}%
%
\def\wswabove{\advance\dimen1 by.19\em\fullbAck\wswpfEil%
\fullbAck\raise\dimen1\box0\advance\dimen1 by-.59\em%
\fullbAck\count23=2}%
\def\wswevoba{\advance\dimen1 by.09\em\fullbAck\enepfEil%
\fullbAck\raise\dimen1\box0\advance\dimen1 by-.49\em%
\fullbAck\count23=2}%
\def\wswbelow{\advance\dimen1 by.12\em\fullbAck%
\sAve{\lurOdots}\fullbAck\raise\dimen1\box0%
\advance\dimen1 by-.52\em\fullbAck\count23=2}%
%
\def\wphantom{\adjUstw\advance\dimen0 by-\dimen6%
\advance\dimen4 by-\dimen6\count23=2}%
\def\wsingle{\adjUstw\raise\dimen1\box0\fullbAck\count23=2}%
\def\wdouble{\adjUstw\advance\dimen1 by.1\em%
\raise\dimen1\copy0\kern-\wd0\advance\dimen1 by-.2\em%
\raise\dimen1\box0\advance\dimen1 by.1\em\fullbAck%
\count23=2}%
\def\wtriple{\adjUstw\advance\dimen1 by.2\em%
\raise\dimen1\copy0\kern-\wd0%
\advance\dimen1 by-.2\em\raise\dimen1\copy0\kern-\wd0%
\advance\dimen1 by-.2\em\raise\dimen1\box0%
\advance\dimen1 by.2\em\fullbAck\count23=2}%
\def\adjUstw{\fullbAck\sAve{\hstrIch}\fullbAck%
\ifdim\dimen0<\dimen3 \dimen3\dimen0\fi}%
%
\def\wnwabove{\advance\dimen1 by.49\em\fullbAck\wnwpfEil%
\fullbAck\raise\dimen1\box0\advance\dimen1 by-.09\em%
\fullbAck\count23=2}%
\def\wnwevoba{\advance\dimen1 by.59\em\fullbAck\esepfEil%
\fullbAck\raise\dimen1\box0\advance\dimen1 by-.19\em%
\fullbAck\count23=2}%
\def\wnwbelow{\advance\dimen1 by.56\em\fullbAck%
\sAve{\lorUdots}\fullbAck\raise\dimen1\box0%
\advance\dimen1 by-.16\em\fullbAck\count23=2}%
%
\def\nwbelow{\nnwgenerAl{\dotbackslAsh}}%
\def\nwphantom{\fullbAck\nwstrIch\phAntbox\fullbAck%
\advance\dimen1 by.42\em\raise\dimen1\box0\fullbAck%
\advance\dimen1 by.635\em\count23=2}%
\def\nwsingle{\fullbAck\nwstrIch\fullbAck%
\advance\dimen1 by.42\em\raise\dimen1\box0\fullbAck%
\advance\dimen1 by.635\em\count23=2}%
\def\nwdouble{\fullbAck\nwstrIch\fullbAck\kern-.0707\em%
\advance\dimen1 by.3493\em\raise\dimen1\copy0\kern-\wd0%
\kern.1414\em\advance\dimen1 by.1414\em\raise\dimen1\box0%
\kern-.0707\em\advance\dimen1 by.5643\em\fullbAck%
\count23=2}%
\def\nwtriple{\fullbAck\nwstrIch\fullbAck%
\advance\dimen1 by.42\em\raise\dimen1\copy0\kern-\wd0%
\kern-.1414\em\advance\dimen1 by-.1414\em%
\raise\dimen1\copy0\kern-\wd0\kern.2828\em%
\advance\dimen1 by.2828\em\raise\dimen1\box0%
\kern-.1414\em\fullbAck\advance\dimen1 by.4936\em%
\count23=2}%
%
\def\nnwabove{\advance\dimen1 by2.05\dimen5\halfbAck%
\nnwpfEil\kern-1.14\dimen6\raise\dimen1\box0%
\advance\dimen1 by.803\em\kern-1.20\dimen6%
\advance\dimen4 by-2.34\dimen6%
\advance\dimen0 by-2.34\dimen6\count23=1}%
\def\nnwevoba{\advance\dimen1 by2.05\dimen5\halfbAck%
\ssepfEil\kern-1.06\dimen6\raise\dimen1\box0%
\advance\dimen1 by.803\em\kern-1.11\dimen6%
\advance\dimen4 by-2.17\dimen6%
\advance\dimen0 by-2.17\dimen6\count23=1}%
\def\nnwbelow{\advance\dimen1 by2.05\dimen5\halfbAck%
\sAve{\setbox1\hbox{.}\raise.435\em\copy1\kern-.23\em%
\raise.190\em\copy1\kern-.23\em%
\lower.075\em\copy1\kern-.23\em%
\lower.3\em\copy1\kern-.23\em%
\lower.545\em\box1}\kern-.9\dimen6\raise\dimen1\box0%
\kern-1.05\dimen6\advance\dimen4 by-1.95\dimen6%
\advance\dimen0 by-1.95\dimen6\advance\dimen1 by.803\em%
\count23=1}%
\def\nnwphantom{\halfbAck\sAve{$\backslash$}\phAntbox%
\adjUstnnw\raise\dimen1\box0\postadjUstnnw}%
\def\nnwsingle{\nnwgenerAl{$\backslash$}}%
\def\nnwdouble{\halfbAck\sAve{$\backslash$}\adjUstnnw%
\advance\dimen1 by.031\em\kern.093\em\raise\dimen1\copy0%
\advance\dimen1 by-.062\em\kern-\wd0\kern-.186\em%
\raise\dimen1\box0\kern.093\em\advance\dimen1 by.031\em%
\postadjUstnnw}%
\def\nnwtriple{\halfbAck\sAve{$\backslash$}\adjUstnnw%
\advance\dimen1 by.062\em\kern.186\em\raise\dimen1\copy0%
\advance\dimen1 by-.062\em\kern-\wd0\kern-.186\em%
\raise\dimen1\copy0\advance\dimen1 by-.062\em\kern-\wd0%
\kern-.186\em\raise\dimen1\box0\kern.186\em%
\advance\dimen1 by.062\em\postadjUstnnw}%
\def\nnwgenerAl#1{\halfbAck\sAve{#1}\adjUstnnw%
\raise\dimen1\box0\postadjUstnnw}%
\def\adjUstnnw{\advance\dimen1 by1.111111\dimen5%
\kern-1.15\dimen6\advance\dimen4 by-1.15\dimen6%
\advance\dimen0 by-1.15\dimen6}%
\def\postadjUstnnw{\kern-1.35\dimen6%
\advance\dimen4 by-1.35\dimen6%
\advance\dimen0 by-1.35\dimen6%
\advance\dimen1 by\dimen5\count23=1}%
%
\def\nmostaromatatom#1{\atom{#1}\dimen8\dimen1%
\advance\dimen8 by-.4\em\aromAtincr}%
\def\smostaromatatom#1{\atom{#1}\dimen10\dimen1%
\advance\dimen10 by\dimen5\advance\dimen10 by.3\em%
\advance\count20 by1\aromAtincr}%
\def\wmostaromatatom#1{\atom{#1}\dimen7\dimen0%
\advance\count20 by2\advance\dimen7 by.36\em\aromAtincr}%
\def\emostaromatatom#1{\atom{#1}\dimen9\dimen0%
\advance\dimen9 by-\dimen6\advance\count20 by3%
\advance\dimen9 by-.24\em\aromAtincr}%
\def\aromAtincr{\advance\count20 by1\count42=\count20%
\relax\ifnum\count20=10 \aromAtsymbol\fi}%
\def\wUrzel{\count42=\count52\divide\count42 by4\wUrz}%
% Compute \count42=sqrt(\count52) by a recursion formula.
\def\wUrz{\wurzEl\let\wurzE\wUrz\else\let\wurzE\relax\fi%
\wurzE}%
\def\wurzEl{\count62=\count52\divide\count62 by\count42%
\advance\count62 by\count42\count72=\count62%
\divide\count72 by2\advance\count72 by5%
\relax\ifnum\count42>\count72 \count42=\count62%
\divide\count42 by2}%
\def\aromAtsymbol{\count20=0\ifnum\count13>0 %
\advance\dimen8 by-\dimen10\dimen8=.5\dimen8%
\advance\dimen7 by-\dimen9\dimen7-.5\dimen7%
\setbox1\hbox{\vrule width.04\em height.04\em}%
\dimen22=.4\wd1\count32=7100\count22\dimen22%
\divide\count22 by60\dimen22=.0001\dimen7%
\dimen23=.0001\dimen8\setbox0\hbox{\loop%
\advance\count32 by-\count22\count62=\count32%
\multiply\count62 by\count32\count52=100000000%
\advance\count52 by-\count62\wUrzel\kern\count42\dimen22%
\lower\count32\dimen23\copy1\kern-\wd1%
\raise\count32\dimen23\copy1\kern-\wd1%
\count72-\count42\kern\count72\dimen22\kern\count72\dimen22%
\lower\count32\dimen23\copy1\kern-\wd1%
\raise\count32\dimen23\copy1\kern-\wd1\kern\count42\dimen22%
\kern\count32\dimen22\lower\count42\dimen23\copy1\kern-\wd1%
\raise\count42\dimen23\copy1\kern-\wd1\count72-\count32%
\kern\count72\dimen22\kern\count72\dimen22%
\lower\count42\dimen23\copy1\kern-\wd1%
\raise\count42\dimen23\copy1\kern-\wd1\kern\count32\dimen22%
\ifnum\count32>\count22 \repeat\kern-10000\dimen22\copy1%
\kern-\wd1\kern20000\dimen22\copy1\kern-\wd1}%
\advance\dimen9 by-\dimen0\kern\dimen9\kern-10000\dimen22%
\dimen13\dimen10\advance\dimen13 by\dimen8%
\raise\dimen13\box0\kern-\dimen9\fi}%
%
\def\firstbicycloatom#1{\atom{#1}\ifnum\count13>0 %
\ifnum\count20>0 \count20=0\messAge{\bicycloIgnored}\else%
\dimen7\dimen0\advance\dimen7 by-.5\dimen6\count20=100%
\dimen8\dimen1\advance\dimen8 by.4\dimen5\dimen9\dimen6%
\fi\fi}%
\def\secondbicycloatom#1{\atom{#1}\ifnum\count13>0 %
\ifnum\count20=100 \dimen12\dimen0%
\advance\dimen12 by-.5\dimen6\dimen13\dimen1%
\advance\dimen13 by.4\dimen5\ifdim\dimen9<\dimen6 %
\dimen9\dimen6\fi\relax\ifdim\dimen9<\dimen5 \dimen9\dimen5\fi%
\setbox1\hbox{\vrule width.04\em height.04\em}%
\kern-.5\dimen6\dimen22\dimen7\advance\dimen22 by-\dimen12%
\divide\dimen22 by10000\dimen23\dimen8%
\advance\dimen23 by-\dimen13\divide\dimen23 by10000%
\count42\dimen22\multiply\count42 by\dimen22%
\count52\dimen23\multiply\count52 by\dimen23%
\advance\count52 by\count42\wUrzel\divide\dimen9 by100%
\multiply\dimen9 by85\count32\dimen9%
\divide\count32 by\count42\count52=10000%
\advance\count52 by-\count32\count72\wd1\divide\count72 by2%
\divide\count72 by\count42\loop\dimen32=0\em%
\advance\dimen32 by\count32\dimen22\dimen33\dimen13%
\advance\dimen33 by\count32\dimen23\kern\dimen32%
\raise\dimen33\copy1\kern-\wd1\kern-\dimen32%
\advance\count32 by\count72\relax\ifnum\count32<\count52 \repeat%
\kern.5\dimen6\else\messAge{\bicycloIgnored}\fi\fi%
\count20=0\relax}%
%
\def\nopositioncheck{\count13=1}%
%
\def\shorterewbonds{\def\hstrIch{\hbox to.784\em%
{\hss\vrule width.6\em height.36\em depth-.32\em\hss}}%
\dimen251=.025\em\relax%
\count43=0\count53=0\count63=0\count73=0%
\def\lurOdots{\setbox1\hbox{.}\kern.01\em%
\lower.125\em\copy1\lower.025\em\copy1\raise.075\em\box1}%
\def\lorUdots{\setbox1\hbox{.}\kern.01\em%
\raise.025\em\copy1\lower.075\em\copy1%
\lower.175\em\box1\kern.01\em}}%
\def\longerewbonds{\def\hstrIch{\hbox to1.184\em%
{\hss\vrule width1\em height.36\em depth-.32\em\hss}}%
\dimen251=.0452\em\relax%
\count43=0\count53=0\count63=0\count73=0%
\def\lurOdots{\setbox1\hbox{.}\kern.01\em%
\lower.125\em\copy1\lower.075\em\copy1%
\lower.025\em\copy1\raise.025\em\copy1\raise.075\em\box1}%
\def\lorUdots{\setbox1\hbox{.}\kern.01\em%
\raise.025\em\copy1\lower.025\em\copy1%
\lower.075\em\copy1\lower.125\em\copy1%
\lower.175\em\box1\kern.01\em}}%
%
\def\nomOrestructures{\def\atom{}\def\phantatom{}%
\def\adjustAtom{}\def\epin{}\def\wpin{}\def\spin{}%
\def\npin{}\def\sAve{}\def\phAntbox{}\def\side{}%
\def\fullbAck{}\def\halfbAck{}\def\nestrIch{}%
\def\nwstrIch{}\def\dotbackslAsh{}\def\dotslAsh{}%
\def\nnepfEil{}\def\enepfEil{}\def\esepfEil{}%
\def\ssepfEil{}\def\sswpfEil{}\def\wswpfEil{}%
\def\wnwpfEil{}\def\nnwpfEil{}\def\nphantom{}%
\def\nsingle{}\def\ndouble{}\def\ntriple{}\def\adjUstn{}%
\def\postadjUstn{}\def\nstrIch{}\def\nneabove{}%
\def\nneevoba{}\def\nnebelow{}\def\nnephantom{}%
\def\nnesingle{}\def\nnedouble{}\def\nnetriple{}%
\def\adjUstnne{}\def\postadjUstnne{}\def\nebelow{}%
\def\nephantom{}\def\nesingle{}\def\nedouble{}%
\def\netriple{}\def\eneabove{}\def\eneevoba{}%
\def\enebelow{}\def\ephantom{}\def\esingle{}%
\def\edouble{}\def\etriple{}\def\eseabove{}%
\def\eseevoba{}\def\esebelow{}\def\sebelow{}%
\def\sephantom{}\def\sesingle{}\def\sedouble{}%
\def\setriple{}\def\sseabove{}\def\sseevoba{}%
\def\ssebelow{}\def\ssephantom{}\def\ssesingle{}%
\def\ssedouble{}\def\ssetriple{}\def\ssegenerAl{}%
\def\adjUstsse{}\def\postadjUstsse{}\def\sphantom{}%
\def\ssingle{}\def\sdouble{}\def\striple{}\def\adjUsts{}%
\def\postadjUsts{}\def\sstrIch{}\def\sswabove{}%
\def\sswevoba{}\def\sswbelow{}\def\sswphantom{}%
\def\sswsingle{}\def\sswdouble{}\def\sswtriple{}%
\def\sswgenerAl{}\def\adjUstssw{}\def\postadjUstssw{}%
\def\swbelow{}\def\swphantom{}\def\swsingle{}%
\def\swdouble{}\def\swtriple{}\def\wswabove{}%
\def\wswevoba{}\def\wswbelow{}\def\wphantom{}%
\def\wsingle{}\def\wdouble{}\def\wtriple{}\def\adjUstw{}%
\def\wnwabove{}\def\wnwevoba{}\def\wnwbelow{}\def\nwbelow{}%
\def\nwphantom{}\def\nwsingle{}\def\nwdouble{}%
\def\nwtriple{}\def\nnwabove{}\def\nnwevoba{}%
\def\nnwbelow{}\def\nnwphantom{}\def\nnwsingle{}%
\def\nnwdouble{}\def\nnwtriple{}\def\nnwgenerAl{}%
\def\adjUstnnw{}\def\postadjUstnnw{}\def\nmostaromatatom{}%
\def\smostaromatatom{}\def\wmostaromatatom{}%
\def\emostaromatatom{}\def\aromAtincr{}\def\wUrzel{}%
\def\wUrz{}\def\wurzEl{}\def\aromAtsymbol{}%
\def\firstbicycloatom{}\def\secondbicycloatom{}%
\def\nopositioncheck{}\def\shorterewbonds{}\def\lurOdots{}%
\def\lorUdots{}\def\longerewbonds{}\def\lurOdots{}%
\def\lorUdots{}\def\structure{}}%
%
\def\nomorestructures{\nomOrestructures%
\def\nomOrestructures{}}%
%
\def\structure#1{\hbox{\rm\catcode`\ 9\catcode`\^^M9%
\catcode`\^^I9\dimendef\em250\em1em%
\dimen252\fontdimen2\tenrm\fontdimen2\tenrm0\em%
\dimen253\fontdimen3\tenrm\fontdimen3\tenrm0\em%
\dimen254\fontdimen4\tenrm\fontdimen4\tenrm0\em%
\dimen255\fontdimen7\tenrm\fontdimen7\tenrm0\em%
\shorterewbonds% initialize \dimen251 and definitions
\count11=0%  side chain nesting
\count20=0%  definition counter of aromatatoms and bicycloatoms
\count13=0%  disable printing
\count23=0%  fullback/halfback/noback flag
\dimen0\baselineskip\advance\dimen0 by-.7\em%
\advance\baselineskip by-.3\em%
\count33\dimen0% amount of depth to be added
\count43=0%  marker for eseabove- and wnwevoba-bonds
\count53=0%  marker for wswabove- and eneevoba-bonds
\count63=0%  marker for eneabove- and wswevoba-bonds
\count73=0%  marker for wnwabove- and eseevoba-bonds
\count83=0%  marker for in-plane ne- and swbonds
\count93=0%  marker for in-plane nw- and sebonds
\dimen0=0\em% actual horizontal position
\dimen1=0\em% actual vertical position
\dimen2=0\em% maximum horizontal position
\dimen3=0\em% minimum horizontal position
\dimen4=0\em% horizontal side chain correction
\dimen5=0\em% last height + depth
\dimen6=0\em% last width
\dimen7=0\em% 
\dimen8=0\em% 
\dimen9=0\em% 
\dimen10=0\em%
#1\ifnum\count13=0 \kern-\dimen0\kern-\dimen3\dimen0=0\em%
\dimen1=0\em\dimen2=0\em\count13=1 \shorterewbonds#1\fi%
\ifnum\count20>0 \messAge{\aromatIgnored}\fi\kern-\dimen0%
\kern\dimen2\advance\baselineskip by.3\em%
\fontdimen2\tenrm\dimen252\fontdimen3\tenrm\dimen253%
\fontdimen4\tenrm\dimen254\fontdimen7\tenrm\dimen255}}%