%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% % % Macropaket STRUCTURE % chem. Structurformeln mit TeX % % Autor: Dr. Michael Ramek % Institut fuer Physikal. und Theoret. Chemie % Technische Universitaet Graz % % Version 1.0 % November 1987 % %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% \def\atom#1{\sAve{#1}\adjustAtom} \def\phantatom#1{\sAve{#1}\phAntbox\adjustAtom} \def\adjustAtom{\advance\dimen0 by-\dimen6\ifnum\count23=1 \halfbAck\else \ifnum\count23=2 \fullbAck\fi\fi\raise\dimen1\box0\ifdim\dimen0<\dimen3 % \dimen3=\dimen0\fi\advance\dimen0 by\dimen6\dimen42=\baselineskip \dimen52=\count33sp\advance\dimen42 by\dimen1\advance\dimen52 by-\dimen1 \vrule width0em height\dimen42 depth\dimen52\count23=0} \def\epin#1{\setbox0=\hbox{#1}\ifnum\count13=0 \phAntbox\fi \raise\dimen1\copy0\kern-\wd0\advance\dimen0 by\wd0 \ifdim\dimen0>\dimen2 \dimen2=\dimen0\fi\advance\dimen0 by-\wd0} \def\wpin#1{\kern-\dimen6\setbox0=\hbox{#1}\ifnum\count13=0 \phAntbox\fi \kern-\wd0\advance\dimen0 by-\wd0\advance\dimen0 by-\dimen6 \ifdim\dimen0<\dimen3 \dimen3=\dimen0\fi\advance\dimen0 by\dimen6 \advance\dimen0 by\wd0\raise\dimen1\box0\kern\dimen6} \def\spin#1{\kern-0.5\dimen6\setbox0=\hbox{#1}\ifnum\count13=0 \phAntbox \fi\kern-0.5\wd0\advance\dimen1 by-\ht0\advance\dimen1 by-\dp0 \advance\dimen1 by-0.2em\raise\dimen1\copy0\advance\dimen1 by\ht0 \advance\dimen1 by\dp0\advance\dimen1 by0.2em\kern-0.5\wd0 \kern0.5\dimen6} \def\npin#1{\kern-0.5\dimen6\setbox0=\hbox{#1}\ifnum\count13=0 \phAntbox \fi\kern-0.5\wd0\advance\dimen1 by\ht0\advance\dimen1 by\dp0 \advance\dimen1 by0.2em\raise\dimen1\copy0\advance\dimen1 by-\ht0 \advance\dimen1 by-\dp0\advance\dimen1 by-0.2em\kern-0.5\wd0 \kern0.5\dimen6} \def\sAve#1{\setbox0=\hbox{#1}\dimen5=\ht0\advance\dimen5 by\dp0 \dimen6=\wd0\advance\dimen4 by\wd0\advance\dimen0 by\wd0 \ifdim\dimen0>\dimen2 \dimen2=\dimen0\fi\ifnum\count13=0 \phAntbox\fi} \def\phAntbox{\dimen12=\ht0\advance\dimen12 by-\dp0 \dimen13=-\ht0\advance\dimen13 by\dimen12 \dimen12=-\dimen12\advance\dimen12 by-\dp0 \setbox0=\hbox{\vrule width\dimen6 height\dimen12 depth\dimen13}} \def\side#1{\ifnum\count11>20 % \message{Max. nesting of side chains exceeded!}\else \advance\count11 by1 \count21=\count11\multiply\count21 by10 \count31=\count21\advance\count31 by10 \loop\count41=\count31\advance\count41 by-10 \ifnum\count41>0 \dimen\count31=\dimen\count41\advance\count31 by-1 \repeat\count31=\count21\advance\count31 by20 \loop\count41=\count31\advance\count41 by-10 \ifnum\count41>10 \count\count31=\count\count41\advance\count31 by-10 \repeat\dimen4=0em\count20=0 #1\kern-\dimen4\advance\dimen0 by-\dimen4 \dimen1=\dimen11\count31=4\advance\count21 by1 \loop\count41=\count31\advance\count41 by10 \ifnum\count31<\count21 \dimen\count31=\dimen\count41\advance\count31 by1 \repeat\advance\count21 by20\count31=20\ifnum\count20>0 % \message{Incomplete aromatic system in side chain ignored!}% \fi\loop\count41=\count31\advance\count41 by10 \ifnum\count41<\count21 \count\count31=\count\count41 \advance\count31 by10\repeat\advance\count11 by-1\fi} \def\fullbAck{\advance\dimen4 by-\dimen6\advance\dimen0 by-\dimen6 \kern-\dimen6} \def\halfbAck{\advance\dimen4 by-0.5\dimen6\advance\dimen0 by-0.5\dimen6 \kern-0.5\dimen6} \def\hstrIch{\hbox to 0.784em {\hss\vrule width0.6em height0.36em depth-0.32em\hss}} \def\nestrIch{\ifnum\count83=0 \setbox83=\hbox{\count12=0\dimen12=0.65em \kern0.09em\loop\dimen13=\dimen12\advance\dimen13 by-0.06em \vrule height\dimen12 depth-\dimen13 width0.012em \advance\dimen12 by0.0083em\advance\count12 by1 \ifnum\count12<50 \repeat \kern0.09em}\count83=1\fi\sAve{\copy83}} \def\nwstrIch{\ifnum\count93=0 \setbox93=\hbox{\count12=0\dimen12=0.65em \kern0.09em\loop\dimen13=\dimen12\advance\dimen13 by-0.06em \vrule height\dimen12 depth-\dimen13 width0.012em \advance\dimen12 by-0.0083em\advance\count12 by1 \ifnum\count12<50 % \repeat\kern0.09em}\count93=1\fi\sAve{\copy93}} \def\dotbackslAsh{\setbox1=\hbox{.}\raise0.650em\copy1 \kern-0.15em\raise0.425em\copy1\kern-0.15em\raise0.200em\copy1 \kern-0.15em\lower0.025em\copy1\kern-0.15em\lower0.250em\box1\kern0.08em} \def\dotslAsh{\setbox1=\hbox{.}\lower0.250em\copy1 \kern-0.15em\lower0.025em\copy1\kern-0.15em\raise0.200em\copy1 \kern-0.15em\raise0.425em\copy1\kern-0.15em\raise0.650em\box1\kern0.08em} \def\nnepfEil{\ifnum\count13=0 \sAve{\vrule height0em width0.377838em}% \else\sAve{\kern0.09em\dimen12=0.546em\dimen13=-0.541em\loop \ifdim\dimen13<0.554em \vrule width0.004em depth\dimen12 height\dimen13 \advance\dimen12 by-0.015em\advance\dimen13 by0.05em\repeat \loop\ifdim\dimen13>-\dimen12 \vrule width0.004em depth\dimen12 % height\dimen13\advance\dimen12 by-0.015em\advance\dimen13 by-0.0005em \repeat}\fi} \def\enepfEil{\ifnum\count63=0 \setbox63=\hbox{\dimen12=0.086em \dimen13=-\dimen12\kern0.1em\loop\advance\dimen12 by-0.003em \advance\dimen13 by0.011em\ifdim\dimen13<0.2em % \vrule width0.025em depth\dimen12 height\dimen13\repeat \vrule width0.025em depth\dimen12 height0.1em\kern0.07em}\count63=1 \fi \sAve{\copy63}} \def\esepfEil{\ifnum\count43=0 \setbox43=\hbox{\dimen12=-0.086em \dimen13=-\dimen12\kern0.1em\loop\advance\dimen12 by0.003em \advance\dimen13 by-0.011em\ifdim\dimen13>-0.2em % \vrule width0.025em depth-\dimen13 height-\dimen12\repeat \vrule width0.025em height-\dimen12 depth0.1em\kern0.07em}\count43=1 \fi \sAve{\copy43}} \def\ssepfEil{\ifnum\count13=0 \sAve{\vrule height0em width0.377838em} \else\sAve{\kern0.09em\dimen12=0.546em\dimen13=-0.541em\loop \ifdim\dimen13<0.554em \vrule width0.004em height\dimen12 depth\dimen13 \advance\dimen12 by-0.015em\advance\dimen13 by0.05em\repeat\loop \ifdim\dimen13>-\dimen12 \vrule width0.004em height\dimen12 depth\dimen13 \advance\dimen12 by-0.015em\advance\dimen13 by-0.0005em\repeat}\fi} \def\sswpfEil{\ifnum\count13=0 \sAve{\vrule height0em width0.377838em} \else\sAve{\dimen12=-0.5em\dimen13=0.53em\loop\ifdim\dimen13<0.554em % \vrule width0.004em height\dimen12 depth\dimen13 \advance\dimen12 by0.015em\advance\dimen13 by0.0005em\repeat \loop\ifdim\dimen12<0.546em % \vrule width0.004em height\dimen12 depth\dimen13 \advance\dimen13 by-0.05em\advance\dimen12 by0.015em\repeat\kern0.05em}% \fi} \def\wswpfEil{\ifnum\count53=0 \setbox53=\hbox{\dimen12=0em\kern0.07em \vrule width0.025em depth0.1em height0em\advance\dimen12 by0.003em \dimen13=0.2em\loop\ifdim\dimen12>-\dimen13 % \vrule width0.025em depth\dimen13 height\dimen12 \advance\dimen12 by0.003em\advance\dimen13 by-0.011em\repeat\kern0.1em}% \count53=1 \fi\sAve{\copy53}} \def\wnwpfEil{\ifnum\count73=0 \setbox73=\hbox{\dimen12=0em\kern0.07em \vrule width0.025em depth0em height0.1em\advance\dimen12 by0.003em \dimen13=0.2em\loop\ifdim\dimen12>-\dimen13 % \vrule width0.025em depth\dimen12 height\dimen13 \advance\dimen12 by0.003em\advance\dimen13 by-0.011em\repeat\kern0.1em}% \count73=1 \fi\sAve{\copy73}} \def\nnwpfEil{\ifnum\count13=0 \sAve{\vrule height0em width0.377838em} \else\sAve{\dimen12=-0.5em\dimen13=0.53em\loop\ifdim\dimen13<0.554em % \vrule width0.004em depth\dimen12 height\dimen13 \advance\dimen12 by0.015em\advance\dimen13 by0.0005em\repeat\loop \ifdim\dimen12<0.546em \vrule width0.004em depth\dimen12 height\dimen13 \advance\dimen12 by0.015em\advance\dimen13 by-0.05em\repeat\kern0.05em}% \fi} \def\nphantom{\adjUstn\postadjUstn} \def\nsingle{\adjUstn\raise\dimen1\nstrIch\postadjUstn} \def\ndouble{\adjUstn\kern0.1em\raise\dimen1\nstrIch\kern-0.2em \raise\dimen1\nstrIch\kern0.1em\postadjUstn} \def\ntriple{\adjUstn\kern-0.2em\raise\dimen1\nstrIch\kern0.2em \raise\dimen1\nstrIch\kern0.2em\raise\dimen1\nstrIch\kern-0.2em \postadjUstn} \def\adjUstn{\advance\dimen1 by1.111111\dimen5\halfbAck} \def\postadjUstn{\advance\dimen1 by1.352em\count23=1} \def\nstrIch{\ifnum\count13=0 % \hbox{\vrule width0em height1.19em depth-0.1em}\else \hbox{\vrule width0.04em height1.19em depth-0.1em}\kern-0.04em\fi} \def\nneabove{\advance\dimen1 by2.05\dimen5\halfbAck\nnepfEil \raise\dimen1\box0\kern0.17\dimen6\advance\dimen4 by0.17\dimen6 \advance\dimen0 by0.17\dimen6\advance\dimen1 by0.803em\count23=1} \def\nneevoba{\advance\dimen1 by2.05\dimen5\halfbAck\sswpfEil \raise\dimen1\box0\kern0.34\dimen6\advance\dimen4 by0.34\dimen6 \advance\dimen0 by0.34\dimen6\advance\dimen1 by0.803em\count23=1} \def\nnebelow{\advance\dimen1 by2.05\dimen5\halfbAck \sAve{\setbox1=\hbox{.}\lower0.555em\copy1\kern-0.23em \lower0.310em\copy1\kern-0.23em\lower0.065em\copy1\kern-0.23em \raise0.180em\copy1\kern-0.23em\raise0.425em\box1}\raise\dimen1\box0 \kern-0.05\dimen6\advance\dimen4 by-0.05\dimen6 \advance\dimen0 by-0.05\dimen6\advance\dimen1 by0.803em\count23=1} \def\nnephantom{\halfbAck\sAve{/}\phAntbox\adjUstnne\raise\dimen1\box0 \postadjUstnne} \def\nnesingle{\halfbAck\sAve{/}\adjUstnne\raise\dimen1\box0 \postadjUstnne} \def\nnedouble{\halfbAck\sAve{/}\adjUstnne\advance\dimen1 by0.031em \kern-0.093em\raise\dimen1\copy0\advance\dimen1 by-0.062em\kern-\wd0 \kern0.186em\raise\dimen1\box0\kern-0.093em\advance\dimen1 by0.031em \postadjUstnne} \def\nnetriple{\halfbAck\sAve{/}\adjUstnne\advance\dimen1 by0.062em \kern-0.186em\raise\dimen1\copy0\advance\dimen1 by-0.062em\kern-\wd0 \kern0.186em\raise\dimen1\copy0\advance\dimen1 by-0.062em\kern-\wd0 \kern0.186em\raise\dimen1\box0\kern-0.186em\advance\dimen1 by0.062em \postadjUstnne} \def\adjUstnne{\advance\dimen1 by1.111111\dimen5\kern0.37\dimen6 \advance\dimen4 by0.37\dimen6\advance\dimen0 by0.37\dimen6} \def\postadjUstnne{\advance\dimen1 by\dimen5\kern0.13\dimen6 \advance\dimen4 by0.13\dimen6\advance\dimen0 by0.13\dimen6 \ifdim\dimen0>\dimen2 \dimen2=\dimen0\fi\count23=1} \def\nebelow{\halfbAck\sAve{\dotslAsh}\adjUstnne\raise\dimen1\box0 \postadjUstnne} \def\nephantom{\nestrIch\phAntbox\raise\dimen1\box0 \advance\dimen1 by1.055em} \def\nesingle{\nestrIch\raise\dimen1\box0\advance\dimen1 by1.055em} \def\nedouble{\nestrIch\advance\dimen1 by0.0707em\kern-0.0707em \raise\dimen1\copy0\kern-\wd0\kern0.1414em\advance\dimen1 by-0.1414em \raise\dimen1\box0\kern-0.0707em\advance\dimen1 by1.1257em} \def\netriple{\nestrIch\raise\dimen1\copy0\kern-\wd0\kern-0.1414em \advance\dimen1 by0.1414em\raise\dimen1\copy0\kern-\wd0\kern0.2828em \advance\dimen1 by-0.2828em\raise\dimen1\box0\kern-0.1414em \advance\dimen1 by1.1964em} \def\eneabove{\advance\dimen1 by0.49em\enepfEil\raise\dimen1\box0 \advance\dimen1 by-0.09em} \def\eneevoba{\advance\dimen1 by0.585em\wswpfEil\raise\dimen1\box0 \advance\dimen1 by-0.185em} \def\enebelow{\advance\dimen1 by0.51em\sAve{\setbox1=\hbox{.}\kern0.01em \lower0.125em\copy1\lower0.025em\copy1\raise0.075em\box1}% \raise\dimen1\box0\advance\dimen1 by-0.11em} \def\ephantom{\sAve{\hstrIch}\phAntbox\raise\dimen1\box0} \def\esingle{\sAve{\hstrIch}\raise\dimen1\box0} \def\edouble{\sAve{\hstrIch}\advance\dimen1 by0.1em\raise\dimen1\copy0 \kern-\wd0\advance\dimen1 by-0.2em\raise\dimen1\box0 \advance\dimen1 by0.1em} \def\etriple{\sAve{\hstrIch}\advance\dimen1 by0.2em\raise\dimen1\copy0 \kern-\wd0\advance\dimen1 by-0.2em\raise\dimen1\copy0 \advance\dimen1 by-0.2em\kern-\wd0\raise\dimen1\box0 \advance\dimen1 by0.2em} \def\eseabove{\advance\dimen1 by0.19em\esepfEil\raise\dimen1\box0 \advance\dimen1 by-0.59em} \def\eseevoba{\advance\dimen1 by0.09em\wnwpfEil\raise\dimen1\box0 \advance\dimen1 by-0.49em} \def\esebelow{\advance\dimen1 by0.17em\sAve{\setbox1=\hbox{.}\kern0.01em \raise0.025em\copy1\lower0.075em\copy1\lower0.175em\box1\kern0.01em}% \raise\dimen1\box0\advance\dimen1 by-0.57em} \def\sebelow{\ssegenerAl{\dotbackslAsh}} \def\sephantom{\nwstrIch\phAntbox\advance\dimen1 by-0.628em \raise\dimen1\box0\advance\dimen1 by-0.428em} \def\sesingle{\nwstrIch\advance\dimen1 by-0.628em\raise\dimen1\box0 \advance\dimen1 by-0.428em} \def\sedouble{\nwstrIch\advance\dimen1 by-0.6987em\kern-0.0707em \raise\dimen1\copy0\kern-\wd0\kern0.1414em\advance\dimen1 by0.1414em \raise\dimen1\box0\kern-0.0707em\advance\dimen1 by-0.4987em} \def\setriple{\nwstrIch\advance\dimen1 by-0.628em\raise\dimen1\copy0 \kern-\wd0\kern-0.1414em\advance\dimen1 by-0.1414em\raise\dimen1\copy0 \kern-\wd0\kern0.2828em\advance\dimen1 by0.2828em\raise\dimen1\box0 \kern-0.1414em\advance\dimen1 by-0.5694em} \def\sseabove{\advance\dimen1 by-1.222222\dimen5\halfbAck\ssepfEil \raise\dimen1\box0\kern-0.06\dimen6\advance\dimen4 by-0.06\dimen6 \advance\dimen0 by-0.06\dimen6\advance\dimen1 by-1.366666em\count23=1} \def\sseevoba{\advance\dimen1 by-1.222222\dimen5\halfbAck\nnwpfEil \raise\dimen1\box0\kern0.06\dimen6\advance\dimen4 by0.06\dimen6 \advance\dimen0 by0.06\dimen6\advance\dimen1 by-1.366666em\count23=1} \def\ssebelow{\advance\dimen1 by-1.222222\dimen5\halfbAck \sAve{\setbox1=\hbox{.}\raise.455em\copy1\kern-.23em\raise.210em\copy1 \kern-.23em\lower.035em\copy1\kern-.23em\lower.280em\copy1\kern-.23em \lower.525em\box1}\kern-0.08\dimen6\raise\dimen1\box0\kern-0.17\dimen6 \advance\dimen4 by-0.25\dimen6\advance\dimen0 by-0.25\dimen6 \advance\dimen1 by-1.366666em\count23=1} \def\ssephantom{\halfbAck\sAve{$\backslash$}\phAntbox\adjUstsse \raise\dimen1\box0\postadjUstsse} \def\ssesingle{\ssegenerAl{$\backslash$}} \def\ssedouble{\halfbAck\sAve{$\backslash$}\adjUstsse \advance\dimen1 by0.031em\kern0.093em\raise\dimen1\copy0 \advance\dimen1 by-0.062em\kern-\wd0\kern-0.186em\raise\dimen1\box0 \kern0.093em\advance\dimen1 by0.031em\postadjUstsse} \def\ssetriple{\halfbAck\sAve{$\backslash$}\adjUstsse \advance\dimen1 by0.062em\kern0.186em\raise\dimen1\copy0 \advance\dimen1 by-0.062em\kern-\wd0\kern-0.186em\raise\dimen1\copy0 \advance\dimen1 by-0.062em\kern-\wd0\kern-0.186em\raise\dimen1\box0 \kern0.186em\advance\dimen1 by0.062em\postadjUstsse} \def\ssegenerAl#1{\halfbAck\sAve{#1}\adjUstsse\raise\dimen1\box0 \postadjUstsse} \def\adjUstsse{\kern0.23\dimen6\advance\dimen4 by0.23\dimen6 \advance\dimen0 by0.23\dimen6\advance\dimen1 by-\dimen5} \def\postadjUstsse{\advance\dimen1 by-1.111111\dimen5\kern0.27\dimen6 \advance\dimen4 by0.27\dimen6\advance\dimen0 by0.27\dimen6 \ifdim\dimen0>\dimen2 \dimen2=\dimen0\fi\count23=1} \def\sphantom{\adjUsts\postadjUsts} \def\ssingle{\adjUsts\raise\dimen1\sstrIch\postadjUsts} \def\sdouble{\adjUsts\kern0.1em\raise\dimen1\sstrIch\kern-0.2em \raise\dimen1\sstrIch\kern0.1em\postadjUsts} \def\striple{\adjUsts\kern-0.2em\raise\dimen1\sstrIch\kern0.2em \raise\dimen1\sstrIch\kern0.2em\raise\dimen1\sstrIch\kern-0.2em \postadjUsts} \def\adjUsts{\advance\dimen1 by-1.111111\dimen5\halfbAck} \def\postadjUsts{\advance\dimen1 by-1.352em\count23=1} \def\sstrIch{\ifnum\count13=0 % \hbox{\vrule width0em height0.54em depth0.55em}\else \hbox{\vrule width0.04em height0.54em depth0.55em}\kern-0.04em\fi} \def\sswabove{\advance\dimen1 by-1.222222\dimen5\halfbAck\sswpfEil \kern-1.25\dimen6\raise\dimen1\box0\kern-0.81\dimen6 \advance\dimen4 by-2.06\dimen6\advance\dimen0 by-2.06\dimen6 \advance\dimen1 by-1.366666em\count23=1} \def\sswevoba{\advance\dimen1 by-1.222222\dimen5\halfbAck\nnepfEil \kern-1.1\dimen6\raise\dimen1\box0\kern-0.83\dimen6 \advance\dimen4 by-1.93\dimen6\advance\dimen0 by-1.93\dimen6 \advance\dimen1 by-1.366666em\count23=1} \def\sswbelow{\advance\dimen1 by-1.222222\dimen5\halfbAck \sAve{\setbox1=\hbox{.}\lower0.505em\copy1\kern-0.23em\lower0.260em\copy1 \kern-0.23em\lower0.015em\copy1\kern-0.23em\raise0.230em\copy1 \kern-0.23em\raise0.475em\box1}\kern-0.9\dimen6\raise\dimen1\box0 \kern-0.85\dimen6\advance\dimen4 by-1.75\dimen6 \advance\dimen0 by-1.75\dimen6\advance\dimen1 by-1.366666em\count23=1} \def\sswphantom{\halfbAck\sAve{/}\phAntbox\adjUstssw\raise\dimen1\box0 \postadjUstssw} \def\sswsingle{\sswgenerAl{/}} \def\sswdouble{\halfbAck\sAve{/}\adjUstssw\advance\dimen1 by0.031em \kern-0.093em\raise\dimen1\copy0\advance\dimen1 by-0.062em\kern-\wd0 \kern0.186em\raise\dimen1\box0\kern-0.093em\advance\dimen1 by0.031em \postadjUstssw} \def\sswtriple{\halfbAck\sAve{/}\adjUstssw\advance\dimen1 by0.062em \kern-0.186em\raise\dimen1\copy0\advance\dimen1 by-0.062em\kern-\wd0 \kern0.186em\raise\dimen1\copy0\advance\dimen1 by-0.062em\kern-\wd0 \kern0.186em\raise\dimen1\box0\kern-0.186em\advance\dimen1 by0.062em \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\swbelow{\sswgenerAl{\dotslAsh}} \def\swphantom{\fullbAck\nestrIch\phAntbox\advance\dimen1 by-1.054em \fullbAck\raise\dimen1\box0\fullbAck\count23=2} \def\swsingle{\fullbAck\nestrIch\advance\dimen1 by-1.054em\fullbAck \raise\dimen1\box0\fullbAck\count23=2} \def\swdouble{\fullbAck\nestrIch\advance\dimen1 by-1.1247em\fullbAck \kern0.0707em\raise\dimen1\copy0\kern-\wd0\kern-0.1414em \advance\dimen1 by0.1414em\raise\dimen1\box0\kern0.0707em \fullbAck\advance\dimen1 by-0.0707em\count23=2} \def\swtriple{\fullbAck\nestrIch\advance\dimen1 by-1.054em\fullbAck \raise\dimen1\copy0\kern-\wd0\kern-0.1414em\advance\dimen1 by0.1414em \raise\dimen1\copy0\kern-\wd0\kern0.2828em\advance\dimen1 by-0.2828em \raise\dimen1\box0\kern-0.1414em\fullbAck\advance\dimen1 by0.1414em \count23=2} \def\wswabove{\advance\dimen1 by0.19em\fullbAck\wswpfEil\fullbAck \raise\dimen1\box0\advance\dimen1 by-0.59em\fullbAck\count23=2} \def\wswevoba{\advance\dimen1 by0.09em\fullbAck\enepfEil\fullbAck \raise\dimen1\box0\advance\dimen1 by-0.49em\fullbAck\count23=2} \def\wswbelow{\advance\dimen1 by0.12em\fullbAck\sAve{\setbox1=\hbox{.}% \kern0.01em\lower0.125em\copy1\lower0.025em\copy1\raise0.075em\box1}% \fullbAck\raise\dimen1\box0\advance\dimen1 by-0.52em\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 by0.1em \raise\dimen1\copy0\kern-\wd0\advance\dimen1 by-0.2em\raise\dimen1\box0 \advance\dimen1 by0.1em\fullbAck\count23=2} \def\wtriple{\adjUstw\advance\dimen1 by0.2em\raise\dimen1\copy0\kern-\wd0 \advance\dimen1 by-0.2em\raise\dimen1\copy0\kern-\wd0 \advance\dimen1 by-0.2em\raise\dimen1\box0\advance\dimen1 by0.2em \fullbAck\count23=2} \def\adjUstw{\fullbAck\sAve{\hstrIch}\fullbAck \ifdim\dimen0<\dimen3 \dimen3=\dimen0\fi} \def\wnwabove{\advance\dimen1 by0.49em\fullbAck\wnwpfEil\fullbAck \raise\dimen1\box0\advance\dimen1 by-0.09em\fullbAck\count23=2} \def\wnwevoba{\advance\dimen1 by0.59em\fullbAck\esepfEil\fullbAck \raise\dimen1\box0\advance\dimen1 by-0.19em\fullbAck\count23=2} \def\wnwbelow{\advance\dimen1 by0.56em\fullbAck\sAve{\setbox1=\hbox{.}% \kern0.01em\raise0.025em\copy1\lower0.075em\copy1\lower0.175em\box1 \kern0.01em}\fullbAck\raise\dimen1\box0\advance\dimen1 by-0.16em \fullbAck\count23=2} \def\nwbelow{\nnwgenerAl{\dotbackslAsh}} \def\nwphantom{\fullbAck\nwstrIch\phAntbox\fullbAck \advance\dimen1 by0.42em\raise\dimen1\box0\fullbAck \advance\dimen1 by0.635em\count23=2} \def\nwsingle{\fullbAck\nwstrIch\fullbAck\advance\dimen1 by0.42em \raise\dimen1\box0\fullbAck\advance\dimen1 by0.635em\count23=2} \def\nwdouble{\fullbAck\nwstrIch\fullbAck\kern-0.0707em \advance\dimen1 by0.3493em\raise\dimen1\copy0\kern-\wd0\kern0.1414em \advance\dimen1 by0.1414em\raise\dimen1\box0\kern-0.0707em \advance\dimen1 by0.5643em\fullbAck\count23=2} \def\nwtriple{\fullbAck\nwstrIch\fullbAck\advance\dimen1 by0.42em \raise\dimen1\copy0\kern-\wd0\kern-0.1414em\advance\dimen1 by-0.1414em \raise\dimen1\copy0\kern-\wd0\kern0.2828em\advance\dimen1 by0.2828em \raise\dimen1\box0\kern-0.1414em\fullbAck\advance\dimen1 by0.4936em \count23=2} \def\nnwabove{\advance\dimen1 by2.05\dimen5\halfbAck\nnwpfEil \kern-1.14\dimen6\raise\dimen1\box0\advance\dimen1 by0.803em \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 by0.803em \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{.}\raise0.435em\copy1\kern-0.23em\raise0.190em\copy1 \kern-0.23em\lower0.075em\copy1\kern-0.23em\lower0.3em\copy1 \kern-0.23em\lower0.545em\box1}\kern-0.9\dimen6\raise\dimen1\box0 \kern-1.05\dimen6\advance\dimen4 by-1.95\dimen6 \advance\dimen0 by-1.95\dimen6\advance\dimen1 by0.803em\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 by0.031em\kern0.093em\raise\dimen1\copy0 \advance\dimen1 by-0.062em\kern-\wd0\kern-0.186em\raise\dimen1\box0 \kern0.093em\advance\dimen1 by0.031em\postadjUstnnw} \def\nnwtriple{\halfbAck\sAve{$\backslash$}\adjUstnnw \advance\dimen1 by0.062em\kern0.186em\raise\dimen1\copy0 \advance\dimen1 by-0.062em\kern-\wd0\kern-0.186em\raise\dimen1\copy0 \advance\dimen1 by-0.062em\kern-\wd0\kern-0.186em\raise\dimen1\box0 \kern0.186em\advance\dimen1 by0.062em\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-0.4em \aromAtincr} \def\smostaromatatom#1{\atom{#1}\dimen10=\dimen1 \advance\dimen10 by\dimen5\advance\dimen10 by0.3em\advance\count20 by1 \aromAtincr} \def\wmostaromatatom#1{\atom{#1}\dimen7=\dimen0\advance\count20 by2 \advance\dimen7 by0.36em\aromAtincr} \def\emostaromatatom#1{\atom{#1}\dimen9=\dimen0\advance\dimen9 by-\dimen6 \advance\count20 by3 \advance\dimen9 by-0.24em\aromAtincr} \def\aromAtincr{\advance\count20 by1\count42=\count20\ifnum\count20=10 % \aromAtsymbol\fi} \def\wUrzel{% Here \count42=sqrt(\count52) is calculated by a recursion % formula. Since \wUrzel is called from inside a loop, and TeX cannot % handle loops within loops, this has to be done the hard way. \count42=\count52\divide\count42 by4\count62=\count52 \divide\count62 by\count42\advance\count62 by\count42 \count72=\count62\divide\count72 by2\advance\count72 by5 \ifnum\count42>\count72 \count42=\count62\divide\count42 by2 \count62=\count52\divide\count62 by\count42\advance\count62 by\count42 \count72=\count62\divide\count72 by2\advance\count72 by5 \ifnum\count42>\count72 \count42=\count62\divide\count42 by2 \count62=\count52\divide\count62 by\count42\advance\count62 by\count42 \count72=\count62\divide\count72 by2\advance\count72 by5 \ifnum\count42>\count72 \count42=\count62\divide\count42 by2 \count62=\count52\divide\count62 by\count42\advance\count62 by\count42 \count72=\count62\divide\count72 by2\advance\count72 by5 \ifnum\count42>\count72 \count42=\count62\divide\count42 by2 \count62=\count52\divide\count62 by\count42\advance\count62 by\count42 \count72=\count62\divide\count72 by2\advance\count72 by5 \ifnum\count42>\count72 \count42=\count62\divide\count42 by2 \count62=\count52\divide\count62 by\count42\advance\count62 by\count42 \count72=\count62\divide\count72 by2\advance\count72 by5 \ifnum\count42>\count72 \count42=\count62\divide\count42 by2 \count62=\count52\divide\count62 by\count42\advance\count62 by\count42 \count72=\count62\divide\count72 by2\advance\count72 by5 \ifnum\count42>\count72 \count42=\count62\divide\count42 by2 \count62=\count52\divide\count62 by\count42\advance\count62 by\count42 \count72=\count62\divide\count72 by2\advance\count72 by5 \ifnum\count42>\count72 \count42=\count62\divide\count42 by2 \count62=\count52\divide\count62 by\count42\advance\count62 by\count42 \count72=\count62\divide\count72 by2\advance\count72 by5 \ifnum\count42>\count72 \count42=\count62\divide\count42 by2 \count62=\count52\divide\count62 by\count42\advance\count62 by\count42 \count72=\count62\divide\count72 by2\advance\count72 by5 \ifnum\count42>\count72 \count42=\count62\divide\count42 by2 \count62=\count52\divide\count62 by\count42\advance\count62 by\count42 \count72=\count62\divide\count72 by2\advance\count72 by5 \ifnum\count42>\count72 \count42=\count62\divide\count42 by2 \count62=\count52\divide\count62 by\count42\advance\count62 by\count42 \count72=\count62\divide\count72 by2\advance\count72 by5 \ifnum\count42>\count72 \count42=\count62\divide\count42 by2 \count62=\count52\divide\count62 by\count42\advance\count62 by\count42 \count72=\count62\divide\count72 by2\advance\count72 by5 \ifnum\count42>\count72 \count42=\count62\divide\count42 by2 \count62=\count52\divide\count62 by\count42\advance\count62 by\count42 \count72=\count62\divide\count72 by2\advance\count72 by5 \ifnum\count42>\count72 \count42=\count62\divide\count42 by2 \count62=\count52\divide\count62 by\count42\advance\count62 by\count42 \count72=\count62\divide\count72 by2\advance\count72 by5 \ifnum\count42>\count72 \count42=\count62\divide\count42 by2 \count62=\count52\divide\count62 by\count42\advance\count62 by\count42 \count72=\count62\divide\count72 by2\advance\count72 by5 \ifnum\count42>\count72 \count42=\count62\divide\count42 by2 \count62=\count52\divide\count62 by\count42\advance\count62 by\count42 \count72=\count62\divide\count72 by2\advance\count72 by5 \ifnum\count42>\count72 \count42=\count62\divide\count42 by2 \count62=\count52\divide\count62 by\count42\advance\count62 by\count42 \count72=\count62\divide\count72 by2\advance\count72 by5 \ifnum\count42>\count72 \count42=\count62\divide\count42 by2 \fi\fi\fi\fi\fi\fi\fi\fi\fi\fi\fi\fi\fi\fi\fi\fi\fi\fi} \def\aromAtsymbol{\count20=0\ifnum\count13>0 \advance\dimen8 by-\dimen10 \dimen8=0.5\dimen8\advance\dimen7 by-\dimen9\dimen7=-0.5\dimen7 \setbox1=\hbox{\vrule width0.04em height0.04em}\dimen22=0.4\wd1 \count32=7100\count22=\dimen22\divide\count22 by60\dimen22=0.0001\dimen7 \dimen23=0.0001\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{Bicyclo definition ignored!}\else\dimen7=\dimen0 \advance\dimen7 by-0.5\dimen6\count20=100\dimen8=\dimen1 \advance\dimen8 by0.4\dimen5\dimen9=\dimen6\fi\fi} \def\secondbicycloatom#1{\atom{#1}\ifnum\count13>0 \ifnum\count20=100 % \dimen12=\dimen0\advance\dimen12 by-0.5\dimen6 \dimen13=\dimen1\advance\dimen13 by0.4\dimen5 \ifdim\dimen9<\dimen6 \dimen9=\dimen6\fi\ifdim\dimen9<\dimen5 % \dimen9=\dimen5\fi\setbox1=\hbox{\vrule width0.04em height0.04em}% \kern-0.5\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%\multiply\count72 by4\divide\count72 by10 \divide\count72 by2 \divide\count72 by\count42\loop\dimen32=0em \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 \ifnum\count32<\count52 \repeat\kern0.5\dimen6\else \message{Bicyclo definition ignored!}\fi\fi\count20=0} \def\nopositioncheck{\count13=1} \def\structure#1{\hbox{\begingroup\rm\catcode`\ =9\catcode`\^^M=9 \dimen252=\fontdimen2\tenrm\fontdimen2\tenrm=0pt \dimen253=\fontdimen3\tenrm\fontdimen3\tenrm=0pt \dimen254=\fontdimen4\tenrm\fontdimen4\tenrm=0pt \dimen255=\fontdimen7\tenrm\fontdimen7\tenrm=0pt \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-0.7em \advance\baselineskip by-0.3em \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=0em% actual horizontal position \dimen1=0em% actual vertical position \dimen2=0em% maximum horizontal position \dimen3=0em% minimum horizontal position \dimen4=0em% horizontal side chain correction \dimen5=0em% last height + depth \dimen6=0em% last width \dimen7=0em% \dimen8=0em% \dimen9=0em% \dimen10=0em% #1\ifnum\count13=0 \kern-\dimen0\kern-\dimen3\dimen0=0em\dimen1=0em \dimen2=0em\count13=1 #1\fi\kern-\dimen0\kern\dimen2\ifnum\count20>0 % \message{Incomplete aromatic system ignored!}\fi \advance\baselineskip by0.3em\fontdimen2\tenrm=\dimen252 % \fontdimen3\tenrm=\dimen253 \fontdimen4\tenrm=\dimen254 % \fontdimen7\tenrm=\dimen255 \endgroup}} \endinput