diff --git a/euvl_phase1_test/.DS_Store b/euvl_phase1_test/.DS_Store deleted file mode 100644 index 5008ddf..0000000 Binary files a/euvl_phase1_test/.DS_Store and /dev/null differ diff --git a/euvl_phase1_test/buckets.sqlite b/euvl_phase1_test/buckets.sqlite index 161da27..aafb538 100644 Binary files a/euvl_phase1_test/buckets.sqlite and b/euvl_phase1_test/buckets.sqlite differ diff --git a/euvl_phase1_test/dummy.tex b/euvl_phase1_test/dummy.tex new file mode 100644 index 0000000..1caeeea --- /dev/null +++ b/euvl_phase1_test/dummy.tex @@ -0,0 +1,7 @@ +\documentclass{article} +\usepackage{graphicx} +\usepackage[margin=1cm]{geometry} +\usepackage{amsmath} +\pagenumbering{gobble} +\begin{document} +\setlength\parindent{0pt} diff --git a/euvl_phase1_test/final_state_report.tex b/euvl_phase1_test/final_state_report.tex index 0ac3e4c..e6623db 100644 --- a/euvl_phase1_test/final_state_report.tex +++ b/euvl_phase1_test/final_state_report.tex @@ -7,7 +7,7 @@ \setlength\parindent{0pt} -amount: 25.301 +amount: 25.192 72 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/72.pdf}} @@ -15,7 +15,7 @@ \vspace{1cm} -amount: 18.044 +amount: 17.99 83 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/83.pdf}} @@ -23,7 +23,7 @@ \vspace{1cm} -amount: 13.554 +amount: 13.592 29 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/29.pdf}} @@ -31,7 +31,7 @@ \vspace{1cm} -amount: 13.07 +amount: 13.083 67 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/67.pdf}} @@ -39,7 +39,7 @@ \vspace{1cm} -amount: 4.953 +amount: 4.955 87 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/87.pdf}} @@ -47,7 +47,7 @@ \vspace{1cm} -amount: 4.895 +amount: 4.885 14 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/14.pdf}} @@ -55,7 +55,7 @@ \vspace{1cm} -amount: 3.148 +amount: 3.127 50 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/50.pdf}} @@ -63,7 +63,7 @@ \vspace{1cm} -amount: 2.036 +amount: 2.054 4 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\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/68.pdf}} @@ -119,7 +119,7 @@ \vspace{1cm} -amount: 1.034 +amount: 0.964 88 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/88.pdf}} @@ -127,7 +127,7 @@ \vspace{1cm} -amount: 0.902 +amount: 0.9 18 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/18.pdf}} @@ -135,7 +135,7 @@ \vspace{1cm} -amount: 0.849 +amount: 0.8 5 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/5.pdf}} @@ -143,15 +143,7 @@ \vspace{1cm} -amount: 0.733 - -30 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/30.pdf}} - -\vspace{1cm} - - -amount: 0.688 +amount: 0.731 65 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/65.pdf}} @@ -159,7 +151,7 @@ \vspace{1cm} -amount: 0.635 +amount: 0.687 56 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/56.pdf}} @@ -167,23 +159,23 @@ \vspace{1cm} -amount: 0.569 +amount: 0.679 -47 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/47.pdf}} +30 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/30.pdf}} \vspace{1cm} -amount: 0.478 +amount: 0.554 -73 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/73.pdf}} +47 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/47.pdf}} \vspace{1cm} -amount: 0.468 +amount: 0.492 22 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/22.pdf}} @@ -191,23 +183,23 @@ \vspace{1cm} -amount: 0.421 +amount: 0.488 -69 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/69.pdf}} +73 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/73.pdf}} \vspace{1cm} -amount: 0.363 +amount: 0.454 -95 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/95.pdf}} +69 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/69.pdf}} \vspace{1cm} -amount: 0.332 +amount: 0.372 16 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files a/euvl_phase1_test/mol_pictures/97.pdf and b/euvl_phase1_test/mol_pictures/97.pdf differ diff --git a/euvl_phase1_test/mol_pictures/98.pdf b/euvl_phase1_test/mol_pictures/98.pdf index 4e02240..d413101 100644 Binary files a/euvl_phase1_test/mol_pictures/98.pdf and b/euvl_phase1_test/mol_pictures/98.pdf differ diff --git a/euvl_phase1_test/mol_pictures/99.pdf b/euvl_phase1_test/mol_pictures/99.pdf index 0476498..99b7d6e 100644 Binary files a/euvl_phase1_test/mol_pictures/99.pdf and b/euvl_phase1_test/mol_pictures/99.pdf differ diff --git a/euvl_phase1_test/reaction_report.tex b/euvl_phase1_test/reaction_report.tex index e2741b0..83e2848 100644 --- a/euvl_phase1_test/reaction_report.tex +++ b/euvl_phase1_test/reaction_report.tex @@ -172,25 +172,25 @@ Terminal.KEEP \end{verbatim} $$ -48 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/48.pdf}} +73 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/73.pdf}} + -82 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/82.pdf}} -\xrightarrow[0.14]{1.41} -50 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/50.pdf}} +88 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/88.pdf}} +\xrightarrow[0.06]{0.57} +54 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/54.pdf}} + -80 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/80.pdf}} +70 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/70.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(1, 0), (1, 11)] +[(0, 3), (0, 10)] \end{verbatim} product bonds broken:\begin{verbatim} -[(1, 0), (1, 11)] +[(1, 9), (1, 10)] \end{verbatim} @@ -207,22 +207,22 @@ 48 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/48.pdf}} + -69 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/69.pdf}} -\xrightarrow[0.12]{1.22} +82 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/82.pdf}} +\xrightarrow[0.14]{1.41} +50 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/50.pdf}} ++ 80 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/80.pdf}} -+ -89 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/89.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(1, 12), (1, 13)] +[(1, 0), (1, 11)] \end{verbatim} product bonds broken:\begin{verbatim} -[(0, 0), (0, 11)] +[(1, 0), (1, 11)] \end{verbatim} @@ -260,6 +260,38 @@ +\vspace{1cm} +\begin{verbatim} +more than one reactant +fragment matching found +free_energy dG is above threshold=0.0 +Terminal.KEEP +\end{verbatim} +$$ +48 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/48.pdf}} ++ +69 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/69.pdf}} +\xrightarrow[0.12]{1.22} +80 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/80.pdf}} ++ +89 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/89.pdf}} +$$ + + +reactant bonds broken:\begin{verbatim} +[(1, 12), (1, 13)] +\end{verbatim} +product bonds broken:\begin{verbatim} +[(0, 0), (0, 11)] +\end{verbatim} + + + + \vspace{1cm} \begin{verbatim} more than one reactant @@ -399,14 +431,14 @@ 81 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/81.pdf}} + -83 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/83.pdf}} -\xrightarrow[0.41]{4.14} +87 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/87.pdf}} +\xrightarrow[0.27]{2.70} 48 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/48.pdf}} + -61 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/61.pdf}} +68 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/68.pdf}} $$ @@ -414,7 +446,7 @@ [(0, 0), (0, 11)] \end{verbatim} product bonds broken:\begin{verbatim} -[(1, 2), (1, 17)] +[(1, 9), (1, 10)] \end{verbatim} @@ -428,17 +460,17 @@ Terminal.KEEP \end{verbatim} $$ -81 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/81.pdf}} +82 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/82.pdf}} + 87 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/87.pdf}} -\xrightarrow[0.27]{2.70} +\xrightarrow[0.11]{1.05} 48 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/48.pdf}} + -68 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/68.pdf}} +69 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/69.pdf}} $$ @@ -446,7 +478,7 @@ [(0, 0), (0, 11)] \end{verbatim} product bonds broken:\begin{verbatim} -[(1, 9), (1, 10)] +[(1, 12), (1, 13)] \end{verbatim} @@ -460,14 +492,14 @@ Terminal.KEEP \end{verbatim} $$ -73 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/73.pdf}} +82 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/82.pdf}} + -88 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/88.pdf}} -\xrightarrow[0.06]{0.57} -54 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/54.pdf}} +87 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/87.pdf}} +\xrightarrow[0.22]{2.22} +48 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/48.pdf}} + 70 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/70.pdf}} @@ -475,7 +507,7 @@ reactant bonds broken:\begin{verbatim} -[(0, 3), (0, 10)] +[(0, 0), (0, 11)] \end{verbatim} product bonds broken:\begin{verbatim} [(1, 9), (1, 10)] @@ -492,25 +524,25 @@ Terminal.KEEP \end{verbatim} $$ -46 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/46.pdf}} +82 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/82.pdf}} + -81 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/81.pdf}} -\xrightarrow[0.25]{2.53} -48 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/48.pdf}} +87 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/87.pdf}} +\xrightarrow[0.33]{3.30} +50 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/50.pdf}} + -75 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/75.pdf}} +65 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/65.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(1, 0), (1, 11)] +[(0, 0), (0, 11)] \end{verbatim} product bonds broken:\begin{verbatim} -[(1, 0), (1, 1)] +[(1, 12), (1, 13)] \end{verbatim} @@ -524,25 +556,25 @@ Terminal.KEEP \end{verbatim} $$ -46 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/46.pdf}} -+ 82 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/82.pdf}} -\xrightarrow[0.33]{3.32} -48 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/48.pdf}} + -76 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/76.pdf}} +87 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/87.pdf}} +\xrightarrow[0.25]{2.45} +50 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/50.pdf}} ++ +66 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/66.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(1, 0), (1, 11)] +[(0, 0), (0, 11)] \end{verbatim} product bonds broken:\begin{verbatim} -[(1, 0), (1, 1)] +[(1, 9), (1, 10)] \end{verbatim} @@ -556,25 +588,25 @@ Terminal.KEEP \end{verbatim} $$ -46 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/46.pdf}} -+ 82 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/82.pdf}} -\xrightarrow[0.39]{3.88} -50 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/50.pdf}} + -74 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/74.pdf}} +88 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/88.pdf}} +\xrightarrow[0.03]{0.29} +49 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/49.pdf}} ++ +69 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/69.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(1, 0), (1, 11)] +[(0, 0), (0, 11)] \end{verbatim} product bonds broken:\begin{verbatim} -[(1, 0), (1, 1)] +[(1, 12), (1, 13)] \end{verbatim} @@ -588,25 +620,25 @@ Terminal.KEEP \end{verbatim} $$ -47 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/47.pdf}} -+ 82 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/82.pdf}} -\xrightarrow[0.11]{1.08} ++ +88 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/88.pdf}} +\xrightarrow[0.15]{1.46} 49 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/49.pdf}} + -76 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/76.pdf}} +70 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/70.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(1, 0), (1, 11)] +[(0, 0), (0, 11)] \end{verbatim} product bonds broken:\begin{verbatim} -[(1, 0), (1, 1)] +[(1, 9), (1, 10)] \end{verbatim} @@ -620,25 +652,25 @@ Terminal.KEEP \end{verbatim} $$ -46 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/46.pdf}} +82 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/82.pdf}} ++ +88 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/88.pdf}} +\xrightarrow[0.02]{0.24} +50 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/50.pdf}} + 67 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/67.pdf}} -\xrightarrow[0.05]{0.52} -75 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/75.pdf}} -+ -87 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/87.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(1, 12), (1, 13)] +[(0, 0), (0, 11)] \end{verbatim} product bonds broken:\begin{verbatim} -[(0, 0), (0, 1)] +[(1, 12), (1, 13)] \end{verbatim} @@ -652,25 +684,25 @@ Terminal.KEEP \end{verbatim} $$ -46 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/46.pdf}} +82 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/82.pdf}} + -69 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/69.pdf}} -\xrightarrow[0.37]{3.69} -74 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/74.pdf}} +88 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/88.pdf}} +\xrightarrow[0.09]{0.92} +50 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/50.pdf}} + -89 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/89.pdf}} +68 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/68.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(1, 12), (1, 13)] +[(0, 0), (0, 11)] \end{verbatim} product bonds broken:\begin{verbatim} -[(0, 0), (0, 1)] +[(1, 9), (1, 10)] \end{verbatim} @@ -684,14 +716,14 @@ Terminal.KEEP \end{verbatim} $$ -75 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/75.pdf}} +81 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/81.pdf}} + 83 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/83.pdf}} -\xrightarrow[0.16]{1.61} -46 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/46.pdf}} +\xrightarrow[0.41]{4.14} +48 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/48.pdf}} + 61 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/61.pdf}} @@ -699,7 +731,7 @@ reactant bonds broken:\begin{verbatim} -[(0, 0), (0, 1)] +[(0, 0), (0, 11)] \end{verbatim} product bonds broken:\begin{verbatim} [(1, 2), (1, 17)] @@ -719,22 +751,22 @@ 46 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/46.pdf}} + -69 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/69.pdf}} -\xrightarrow[0.23]{2.27} -76 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/76.pdf}} +81 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/81.pdf}} +\xrightarrow[0.25]{2.53} +48 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/48.pdf}} + -87 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/87.pdf}} +75 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/75.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(1, 12), (1, 13)] +[(1, 0), (1, 11)] \end{verbatim} product bonds broken:\begin{verbatim} -[(0, 0), (0, 1)] +[(1, 0), (1, 1)] \end{verbatim} @@ -751,22 +783,22 @@ 46 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/46.pdf}} + -70 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/70.pdf}} -\xrightarrow[0.25]{2.52} -74 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/74.pdf}} +82 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/82.pdf}} +\xrightarrow[0.33]{3.32} +48 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/48.pdf}} + -89 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/89.pdf}} +76 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/76.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(1, 9), (1, 10)] +[(1, 0), (1, 11)] \end{verbatim} product bonds broken:\begin{verbatim} -[(0, 0), (0, 1)] +[(1, 0), (1, 1)] \end{verbatim} @@ -780,25 +812,25 @@ Terminal.KEEP \end{verbatim} $$ +46 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/46.pdf}} ++ 82 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/82.pdf}} +\xrightarrow[0.39]{3.88} +50 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/50.pdf}} + -87 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/87.pdf}} -\xrightarrow[0.11]{1.05} -48 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/48.pdf}} -+ -69 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/69.pdf}} +74 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/74.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(0, 0), (0, 11)] +[(1, 0), (1, 11)] \end{verbatim} product bonds broken:\begin{verbatim} -[(1, 12), (1, 13)] +[(1, 0), (1, 1)] \end{verbatim} @@ -812,25 +844,25 @@ Terminal.KEEP \end{verbatim} $$ -46 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/46.pdf}} +47 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/47.pdf}} ++ +82 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/82.pdf}} +\xrightarrow[0.11]{1.08} +49 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/49.pdf}} + -70 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/70.pdf}} -\xrightarrow[0.11]{1.10} 76 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/76.pdf}} -+ -87 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/87.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(1, 9), (1, 10)] +[(1, 0), (1, 11)] \end{verbatim} product bonds broken:\begin{verbatim} -[(0, 0), (0, 1)] +[(1, 0), (1, 1)] \end{verbatim} @@ -844,25 +876,25 @@ Terminal.KEEP \end{verbatim} $$ -82 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/82.pdf}} +46 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/46.pdf}} ++ +67 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/67.pdf}} +\xrightarrow[0.05]{0.52} +75 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/75.pdf}} + 87 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/87.pdf}} -\xrightarrow[0.22]{2.22} -48 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/48.pdf}} -+ -70 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/70.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(0, 0), (0, 11)] +[(1, 12), (1, 13)] \end{verbatim} product bonds broken:\begin{verbatim} -[(1, 9), (1, 10)] +[(0, 0), (0, 1)] \end{verbatim} @@ -876,17 +908,17 @@ Terminal.KEEP \end{verbatim} $$ -47 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/47.pdf}} +46 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/46.pdf}} + 69 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/69.pdf}} -\xrightarrow[0.08]{0.79} -76 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/76.pdf}} +\xrightarrow[0.37]{3.69} +74 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/74.pdf}} + -88 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/88.pdf}} +89 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/89.pdf}} $$ @@ -908,25 +940,25 @@ Terminal.KEEP \end{verbatim} $$ -82 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/82.pdf}} +46 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/46.pdf}} ++ +69 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/69.pdf}} +\xrightarrow[0.23]{2.27} +76 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/76.pdf}} + 87 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/87.pdf}} -\xrightarrow[0.33]{3.30} -50 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/50.pdf}} -+ -65 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/65.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(0, 0), (0, 11)] +[(1, 12), (1, 13)] \end{verbatim} product bonds broken:\begin{verbatim} -[(1, 12), (1, 13)] +[(0, 0), (0, 1)] \end{verbatim} @@ -940,25 +972,25 @@ Terminal.KEEP \end{verbatim} $$ -44 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/44.pdf}} +46 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/46.pdf}} + -87 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/87.pdf}} -\xrightarrow[0.11]{1.07} -67 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/67.pdf}} +70 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/70.pdf}} +\xrightarrow[0.25]{2.52} +74 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/74.pdf}} + -85 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/85.pdf}} +89 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/89.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(0, 0), (0, 1)] +[(1, 9), (1, 10)] \end{verbatim} product bonds broken:\begin{verbatim} -[(0, 12), (0, 13)] +[(0, 0), (0, 1)] \end{verbatim} @@ -972,25 +1004,25 @@ Terminal.KEEP \end{verbatim} $$ -82 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/82.pdf}} +46 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/46.pdf}} ++ +70 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/70.pdf}} +\xrightarrow[0.11]{1.10} +76 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/76.pdf}} + 87 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/87.pdf}} -\xrightarrow[0.25]{2.45} -50 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/50.pdf}} -+ -66 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/66.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(0, 0), (0, 11)] +[(1, 9), (1, 10)] \end{verbatim} product bonds broken:\begin{verbatim} -[(1, 9), (1, 10)] +[(0, 0), (0, 1)] \end{verbatim} @@ -1004,25 +1036,25 @@ Terminal.KEEP \end{verbatim} $$ -44 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/44.pdf}} +47 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/47.pdf}} + -87 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/87.pdf}} -\xrightarrow[0.18]{1.75} -68 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/68.pdf}} +69 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/69.pdf}} +\xrightarrow[0.08]{0.79} +76 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/76.pdf}} + -85 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/85.pdf}} +88 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/88.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(0, 0), (0, 1)] +[(1, 12), (1, 13)] \end{verbatim} product bonds broken:\begin{verbatim} -[(0, 9), (0, 10)] +[(0, 0), (0, 1)] \end{verbatim} @@ -1036,25 +1068,25 @@ Terminal.KEEP \end{verbatim} $$ -82 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/82.pdf}} +75 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/75.pdf}} + -88 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/88.pdf}} -\xrightarrow[0.03]{0.29} -49 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/49.pdf}} +87 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/87.pdf}} +\xrightarrow[0.02]{0.16} +46 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/46.pdf}} + -69 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/69.pdf}} +68 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/68.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(0, 0), (0, 11)] +[(0, 0), (0, 1)] \end{verbatim} product bonds broken:\begin{verbatim} -[(1, 12), (1, 13)] +[(1, 9), (1, 10)] \end{verbatim} @@ -1068,14 +1100,14 @@ Terminal.KEEP \end{verbatim} $$ -82 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/82.pdf}} +76 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/76.pdf}} + 88 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/88.pdf}} -\xrightarrow[0.15]{1.46} -49 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/49.pdf}} +\xrightarrow[0.04]{0.38} +47 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/47.pdf}} + 70 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/70.pdf}} @@ -1083,7 +1115,7 @@ reactant bonds broken:\begin{verbatim} -[(0, 0), (0, 11)] +[(0, 0), (0, 1)] \end{verbatim} product bonds broken:\begin{verbatim} [(1, 9), (1, 10)] @@ -1103,14 +1135,14 @@ 75 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/75.pdf}} + -87 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/87.pdf}} -\xrightarrow[0.02]{0.16} +83 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/83.pdf}} +\xrightarrow[0.16]{1.61} 46 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/46.pdf}} + -68 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/68.pdf}} +61 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/61.pdf}} $$ @@ -1118,7 +1150,7 @@ [(0, 0), (0, 1)] \end{verbatim} product bonds broken:\begin{verbatim} -[(1, 9), (1, 10)] +[(1, 2), (1, 17)] \end{verbatim} @@ -1132,25 +1164,25 @@ Terminal.KEEP \end{verbatim} $$ -82 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/82.pdf}} -+ -88 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/88.pdf}} -\xrightarrow[0.02]{0.24} -50 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/50.pdf}} +44 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/44.pdf}} + +87 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/87.pdf}} +\xrightarrow[0.11]{1.07} 67 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/67.pdf}} ++ +85 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/85.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(0, 0), (0, 11)] +[(0, 0), (0, 1)] \end{verbatim} product bonds broken:\begin{verbatim} -[(1, 12), (1, 13)] +[(0, 12), (0, 13)] \end{verbatim} @@ -1164,25 +1196,25 @@ Terminal.KEEP \end{verbatim} $$ -69 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/69.pdf}} +44 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/44.pdf}} ++ +87 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/87.pdf}} +\xrightarrow[0.18]{1.75} +68 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/68.pdf}} + 85 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/85.pdf}} -\xrightarrow[0.24]{2.43} -43 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/43.pdf}} -+ -89 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/89.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(0, 12), (0, 13)] +[(0, 0), (0, 1)] \end{verbatim} product bonds broken:\begin{verbatim} -[(0, 0), (0, 1)] +[(0, 9), (0, 10)] \end{verbatim} @@ -1196,25 +1228,25 @@ Terminal.KEEP \end{verbatim} $$ -82 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/82.pdf}} +69 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/69.pdf}} + -88 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/88.pdf}} -\xrightarrow[0.09]{0.92} -50 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/50.pdf}} +85 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/85.pdf}} +\xrightarrow[0.24]{2.43} +43 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/43.pdf}} + -68 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/68.pdf}} +89 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/89.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(0, 0), (0, 11)] +[(0, 12), (0, 13)] \end{verbatim} product bonds broken:\begin{verbatim} -[(1, 9), (1, 10)] +[(0, 0), (0, 1)] \end{verbatim} @@ -1260,25 +1292,25 @@ Terminal.KEEP \end{verbatim} $$ -44 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/44.pdf}} +69 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/69.pdf}} + -83 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/83.pdf}} -\xrightarrow[0.32]{3.20} -61 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/61.pdf}} +86 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/86.pdf}} +\xrightarrow[0.21]{2.06} +45 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/45.pdf}} + -85 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/85.pdf}} +88 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/88.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(0, 0), (0, 1)] +[(0, 12), (0, 13)] \end{verbatim} product bonds broken:\begin{verbatim} -[(0, 2), (0, 17)] +[(0, 0), (0, 1)] \end{verbatim} @@ -1292,22 +1324,22 @@ Terminal.KEEP \end{verbatim} $$ -69 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/69.pdf}} +70 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/70.pdf}} + -86 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/86.pdf}} -\xrightarrow[0.21]{2.06} -45 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/45.pdf}} +85 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/85.pdf}} +\xrightarrow[0.13]{1.26} +43 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/43.pdf}} + -88 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/88.pdf}} +89 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/89.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(0, 12), (0, 13)] +[(0, 9), (0, 10)] \end{verbatim} product bonds broken:\begin{verbatim} [(0, 0), (0, 1)] @@ -1324,25 +1356,25 @@ Terminal.KEEP \end{verbatim} $$ -76 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/76.pdf}} -+ -88 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/88.pdf}} -\xrightarrow[0.04]{0.38} -47 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/47.pdf}} -+ 70 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/70.pdf}} ++ +85 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/85.pdf}} +\xrightarrow[0.14]{1.36} +45 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/45.pdf}} ++ +87 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/87.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(0, 0), (0, 1)] +[(0, 9), (0, 10)] \end{verbatim} product bonds broken:\begin{verbatim} -[(1, 9), (1, 10)] +[(0, 0), (0, 1)] \end{verbatim} @@ -1359,14 +1391,14 @@ 70 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/70.pdf}} + -85 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/85.pdf}} -\xrightarrow[0.13]{1.26} -43 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/43.pdf}} +86 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/86.pdf}} +\xrightarrow[0.09]{0.89} +45 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/45.pdf}} + -89 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/89.pdf}} +88 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/88.pdf}} $$ @@ -1388,25 +1420,25 @@ Terminal.KEEP \end{verbatim} $$ -81 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/81.pdf}} -+ -85 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/85.pdf}} -\xrightarrow[0.09]{0.94} 44 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/44.pdf}} + -48 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/48.pdf}} +83 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/83.pdf}} +\xrightarrow[0.32]{3.20} +61 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/61.pdf}} ++ +85 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/85.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(0, 0), (0, 11)] +[(0, 0), (0, 1)] \end{verbatim} product bonds broken:\begin{verbatim} -[(0, 0), (0, 1)] +[(0, 2), (0, 17)] \end{verbatim} @@ -1420,22 +1452,22 @@ Terminal.KEEP \end{verbatim} $$ -70 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/70.pdf}} +81 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/81.pdf}} + 85 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/85.pdf}} -\xrightarrow[0.14]{1.36} -45 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/45.pdf}} +\xrightarrow[0.09]{0.94} +44 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/44.pdf}} + -87 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/87.pdf}} +48 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/48.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(0, 9), (0, 10)] +[(0, 0), (0, 11)] \end{verbatim} product bonds broken:\begin{verbatim} [(0, 0), (0, 1)] @@ -1580,22 +1612,22 @@ Terminal.KEEP \end{verbatim} $$ -70 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/70.pdf}} +76 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/76.pdf}} + -86 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/86.pdf}} -\xrightarrow[0.09]{0.89} +85 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/85.pdf}} +\xrightarrow[0.03]{0.26} 45 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/45.pdf}} + -88 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/88.pdf}} +46 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/46.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(0, 9), (0, 10)] +[(0, 0), (0, 1)] \end{verbatim} product bonds broken:\begin{verbatim} [(0, 0), (0, 1)] @@ -1615,14 +1647,14 @@ 76 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/76.pdf}} + -85 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/85.pdf}} -\xrightarrow[0.03]{0.26} +86 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/86.pdf}} +\xrightarrow[0.13]{1.27} 45 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/45.pdf}} + -46 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/46.pdf}} +47 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/47.pdf}} $$ @@ -1644,25 +1676,25 @@ Terminal.KEEP \end{verbatim} $$ -76 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/76.pdf}} +41 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/41.pdf}} + -86 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/86.pdf}} -\xrightarrow[0.13]{1.27} -45 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/45.pdf}} +87 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/87.pdf}} +\xrightarrow[0.05]{0.50} +65 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/65.pdf}} + -47 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/47.pdf}} +67 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/67.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(0, 0), (0, 1)] +[(0, 9), (0, 25)] \end{verbatim} product bonds broken:\begin{verbatim} -[(0, 0), (0, 1)] +[(1, 12), (1, 13)] \end{verbatim} @@ -1679,11 +1711,11 @@ 41 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/41.pdf}} + -85 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/85.pdf}} -\xrightarrow[0.05]{0.50} -43 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/43.pdf}} +87 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/87.pdf}} +\xrightarrow[0.12]{1.18} +65 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/65.pdf}} + 68 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/68.pdf}} @@ -1691,10 +1723,10 @@ reactant bonds broken:\begin{verbatim} -[(0, 12), (0, 13)] +[(0, 9), (0, 25)] \end{verbatim} product bonds broken:\begin{verbatim} -[(0, 0), (0, 1)] +[(1, 9), (1, 10)] \end{verbatim} @@ -1713,20 +1745,20 @@ + 87 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/87.pdf}} -\xrightarrow[0.05]{0.50} -65 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/65.pdf}} +\xrightarrow[0.03]{0.33} +66 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/66.pdf}} + -67 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/67.pdf}} +68 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/68.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(0, 9), (0, 25)] +[(0, 12), (0, 13)] \end{verbatim} product bonds broken:\begin{verbatim} -[(1, 12), (1, 13)] +[(1, 9), (1, 10)] \end{verbatim} @@ -1743,14 +1775,14 @@ 42 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/42.pdf}} + -86 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/86.pdf}} -\xrightarrow[0.14]{1.36} -45 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/45.pdf}} -+ +88 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/88.pdf}} +\xrightarrow[0.05]{0.47} 67 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/67.pdf}} ++ +70 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/70.pdf}} $$ @@ -1758,7 +1790,7 @@ [(0, 9), (0, 25)] \end{verbatim} product bonds broken:\begin{verbatim} -[(0, 0), (0, 1)] +[(1, 9), (1, 10)] \end{verbatim} @@ -1772,25 +1804,25 @@ Terminal.KEEP \end{verbatim} $$ -41 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/41.pdf}} -+ -66 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/66.pdf}} -\xrightarrow[0.02]{0.19} -40 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/40.pdf}} +42 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/42.pdf}} + +88 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/88.pdf}} +\xrightarrow[0.12]{1.15} 68 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/68.pdf}} ++ +70 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/70.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(1, 0), (1, 3)] +[(0, 12), (0, 13)] \end{verbatim} product bonds broken:\begin{verbatim} -[(1, 0), (1, 1)] +[(1, 9), (1, 10)] \end{verbatim} @@ -1804,25 +1836,25 @@ Terminal.KEEP \end{verbatim} $$ -42 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/42.pdf}} +65 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/65.pdf}} + -86 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/86.pdf}} -\xrightarrow[0.20]{2.05} -45 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/45.pdf}} +69 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/69.pdf}} +\xrightarrow[0.13]{1.27} +40 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/40.pdf}} + -68 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/68.pdf}} +89 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/89.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(0, 12), (0, 13)] +[(1, 12), (1, 13)] \end{verbatim} product bonds broken:\begin{verbatim} -[(0, 0), (0, 1)] +[(0, 9), (0, 25)] \end{verbatim} @@ -1836,25 +1868,25 @@ Terminal.KEEP \end{verbatim} $$ -42 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/42.pdf}} -+ 65 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/65.pdf}} -\xrightarrow[0.05]{0.53} ++ +70 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/70.pdf}} +\xrightarrow[0.01]{0.10} 40 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/40.pdf}} + -69 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/69.pdf}} +89 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/89.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(1, 0), (1, 3)] +[(1, 9), (1, 10)] \end{verbatim} product bonds broken:\begin{verbatim} -[(1, 0), (1, 3)] +[(0, 9), (0, 25)] \end{verbatim} @@ -1868,25 +1900,25 @@ Terminal.KEEP \end{verbatim} $$ +66 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/66.pdf}} ++ +67 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/67.pdf}} +\xrightarrow[0.04]{0.35} 41 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/41.pdf}} + 87 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/87.pdf}} -\xrightarrow[0.12]{1.18} -65 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/65.pdf}} -+ -68 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/68.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(0, 9), (0, 25)] +[(1, 12), (1, 13)] \end{verbatim} product bonds broken:\begin{verbatim} -[(1, 9), (1, 10)] +[(0, 12), (0, 13)] \end{verbatim} @@ -1900,17 +1932,17 @@ Terminal.KEEP \end{verbatim} $$ -42 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/42.pdf}} +66 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/66.pdf}} + -65 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/65.pdf}} -\xrightarrow[0.17]{1.69} +69 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/69.pdf}} +\xrightarrow[0.21]{2.12} 40 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/40.pdf}} + -70 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/70.pdf}} +89 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/89.pdf}} $$ @@ -1918,7 +1950,7 @@ [(1, 12), (1, 13)] \end{verbatim} product bonds broken:\begin{verbatim} -[(1, 9), (1, 10)] +[(0, 12), (0, 13)] \end{verbatim} @@ -1932,25 +1964,25 @@ Terminal.KEEP \end{verbatim} $$ -43 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/43.pdf}} +66 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/66.pdf}} + -67 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/67.pdf}} -\xrightarrow[0.02]{0.18} -41 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/41.pdf}} +70 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/70.pdf}} +\xrightarrow[0.10]{0.95} +40 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/40.pdf}} + -85 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/85.pdf}} +89 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/89.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(0, 0), (0, 1)] +[(1, 9), (1, 10)] \end{verbatim} product bonds broken:\begin{verbatim} -[(0, 9), (0, 25)] +[(0, 12), (0, 13)] \end{verbatim} @@ -1964,25 +1996,25 @@ Terminal.KEEP \end{verbatim} $$ -42 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/42.pdf}} -+ -66 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/66.pdf}} -\xrightarrow[0.14]{1.38} -40 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/40.pdf}} +67 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/67.pdf}} + 69 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/69.pdf}} +\xrightarrow[0.26]{2.61} +41 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/41.pdf}} ++ +89 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/89.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(1, 9), (1, 10)] +[(1, 12), (1, 13)] \end{verbatim} product bonds broken:\begin{verbatim} -[(1, 12), (1, 13)] +[(0, 9), (0, 25)] \end{verbatim} @@ -1996,25 +2028,25 @@ Terminal.KEEP \end{verbatim} $$ +67 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/67.pdf}} ++ +69 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/69.pdf}} +\xrightarrow[0.07]{0.70} 42 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/42.pdf}} + -66 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/66.pdf}} -\xrightarrow[0.25]{2.54} -40 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/40.pdf}} -+ -70 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/70.pdf}} +88 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/88.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(1, 0), (1, 3)] +[(1, 12), (1, 13)] \end{verbatim} product bonds broken:\begin{verbatim} -[(1, 0), (1, 3)] +[(0, 9), (0, 25)] \end{verbatim} @@ -2028,25 +2060,25 @@ Terminal.KEEP \end{verbatim} $$ -41 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/41.pdf}} +67 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/67.pdf}} + -87 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/87.pdf}} -\xrightarrow[0.03]{0.33} -66 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/66.pdf}} +69 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/69.pdf}} +\xrightarrow[0.11]{1.14} +88 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/88.pdf}} + -68 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/68.pdf}} +93 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/93.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(0, 12), (0, 13)] +[(1, 12), (1, 13)] \end{verbatim} product bonds broken:\begin{verbatim} -[(1, 9), (1, 10)] +[(1, 12), (1, 25)] \end{verbatim} @@ -2060,22 +2092,22 @@ Terminal.KEEP \end{verbatim} $$ -44 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/44.pdf}} +67 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/67.pdf}} + -65 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/65.pdf}} -\xrightarrow[0.06]{0.57} +70 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/70.pdf}} +\xrightarrow[0.14]{1.45} 41 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/41.pdf}} + -85 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/85.pdf}} +89 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/89.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(0, 0), (0, 1)] +[(1, 9), (1, 10)] \end{verbatim} product bonds broken:\begin{verbatim} [(0, 9), (0, 25)] @@ -2092,25 +2124,25 @@ Terminal.KEEP \end{verbatim} $$ -42 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/42.pdf}} -+ -67 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/67.pdf}} -\xrightarrow[0.11]{1.13} 68 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/68.pdf}} + -93 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/93.pdf}} +69 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/69.pdf}} +\xrightarrow[0.19]{1.93} +41 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/41.pdf}} ++ +89 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/89.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(0, 12), (0, 13)] +[(1, 12), (1, 13)] \end{verbatim} product bonds broken:\begin{verbatim} -[(1, 12), (1, 25)] +[(0, 12), (0, 13)] \end{verbatim} @@ -2124,25 +2156,25 @@ Terminal.KEEP \end{verbatim} $$ +68 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/68.pdf}} ++ +69 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/69.pdf}} +\xrightarrow[0.00]{0.01} 42 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/42.pdf}} + 88 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/88.pdf}} -\xrightarrow[0.05]{0.47} -67 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/67.pdf}} -+ -70 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/70.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(0, 9), (0, 25)] +[(1, 12), (1, 13)] \end{verbatim} product bonds broken:\begin{verbatim} -[(1, 9), (1, 10)] +[(0, 12), (0, 13)] \end{verbatim} @@ -2156,22 +2188,22 @@ Terminal.KEEP \end{verbatim} $$ -44 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/44.pdf}} +68 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/68.pdf}} + -66 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/66.pdf}} -\xrightarrow[0.14]{1.42} +70 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/70.pdf}} +\xrightarrow[0.08]{0.76} 41 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/41.pdf}} + -85 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/85.pdf}} +89 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/89.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(0, 0), (0, 1)] +[(1, 9), (1, 10)] \end{verbatim} product bonds broken:\begin{verbatim} [(0, 12), (0, 13)] @@ -2188,17 +2220,17 @@ Terminal.KEEP \end{verbatim} $$ -66 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/66.pdf}} +88 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/88.pdf}} + 93 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/93.pdf}} -\xrightarrow[0.04]{0.40} -42 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/42.pdf}} +\xrightarrow[0.00]{0.02} +67 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/67.pdf}} + -65 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/65.pdf}} +70 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/70.pdf}} $$ @@ -2206,7 +2238,7 @@ [(1, 12), (1, 25)] \end{verbatim} product bonds broken:\begin{verbatim} -[(0, 12), (0, 13)] +[(1, 9), (1, 10)] \end{verbatim} @@ -2220,17 +2252,17 @@ Terminal.KEEP \end{verbatim} $$ -42 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/42.pdf}} +41 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/41.pdf}} ++ +85 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/85.pdf}} +\xrightarrow[0.05]{0.50} +43 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/43.pdf}} + -88 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/88.pdf}} -\xrightarrow[0.12]{1.15} 68 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/68.pdf}} -+ -70 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/70.pdf}} $$ @@ -2238,7 +2270,7 @@ [(0, 12), (0, 13)] \end{verbatim} product bonds broken:\begin{verbatim} -[(1, 9), (1, 10)] +[(0, 0), (0, 1)] \end{verbatim} @@ -2252,12 +2284,12 @@ Terminal.KEEP \end{verbatim} $$ +42 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/42.pdf}} ++ 86 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/86.pdf}} -+ -93 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/93.pdf}} -\xrightarrow[0.09]{0.92} +\xrightarrow[0.14]{1.36} 45 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/45.pdf}} + @@ -2267,7 +2299,7 @@ reactant bonds broken:\begin{verbatim} -[(1, 12), (1, 25)] +[(0, 9), (0, 25)] \end{verbatim} product bonds broken:\begin{verbatim} [(0, 0), (0, 1)] @@ -2284,25 +2316,25 @@ Terminal.KEEP \end{verbatim} $$ -65 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/65.pdf}} +42 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/42.pdf}} + -81 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/81.pdf}} -\xrightarrow[0.15]{1.51} -41 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/41.pdf}} +86 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/86.pdf}} +\xrightarrow[0.20]{2.05} +45 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/45.pdf}} + -48 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/48.pdf}} +68 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/68.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(1, 0), (1, 11)] +[(0, 12), (0, 13)] \end{verbatim} product bonds broken:\begin{verbatim} -[(0, 9), (0, 25)] +[(0, 0), (0, 1)] \end{verbatim} @@ -2316,22 +2348,22 @@ Terminal.KEEP \end{verbatim} $$ -65 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/65.pdf}} +43 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/43.pdf}} + -82 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/82.pdf}} -\xrightarrow[0.15]{1.46} -40 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/40.pdf}} +67 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/67.pdf}} +\xrightarrow[0.02]{0.18} +41 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/41.pdf}} + -50 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/50.pdf}} +85 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/85.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(1, 0), (1, 11)] +[(0, 0), (0, 1)] \end{verbatim} product bonds broken:\begin{verbatim} [(0, 9), (0, 25)] @@ -2348,22 +2380,22 @@ Terminal.KEEP \end{verbatim} $$ +44 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/44.pdf}} ++ 65 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/65.pdf}} +\xrightarrow[0.06]{0.57} +41 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/41.pdf}} + -69 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/69.pdf}} -\xrightarrow[0.13]{1.27} -40 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/40.pdf}} -+ -89 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/89.pdf}} +85 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/85.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(1, 12), (1, 13)] +[(0, 0), (0, 1)] \end{verbatim} product bonds broken:\begin{verbatim} [(0, 9), (0, 25)] @@ -2380,22 +2412,22 @@ Terminal.KEEP \end{verbatim} $$ +44 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/44.pdf}} ++ 66 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/66.pdf}} -+ -81 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/81.pdf}} -\xrightarrow[0.24]{2.36} +\xrightarrow[0.14]{1.42} 41 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/41.pdf}} + -48 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/48.pdf}} +85 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/85.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(1, 0), (1, 11)] +[(0, 0), (0, 1)] \end{verbatim} product bonds broken:\begin{verbatim} [(0, 12), (0, 13)] @@ -2412,25 +2444,25 @@ Terminal.KEEP \end{verbatim} $$ -41 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/41.pdf}} +86 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/86.pdf}} + -46 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/46.pdf}} -\xrightarrow[0.10]{1.02} -65 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/65.pdf}} +93 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/93.pdf}} +\xrightarrow[0.09]{0.92} +45 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/45.pdf}} + -75 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/75.pdf}} +67 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/67.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(0, 9), (0, 25)] +[(1, 12), (1, 25)] \end{verbatim} product bonds broken:\begin{verbatim} -[(1, 0), (1, 1)] +[(0, 0), (0, 1)] \end{verbatim} @@ -2444,25 +2476,25 @@ Terminal.KEEP \end{verbatim} $$ +41 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/41.pdf}} ++ 66 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/66.pdf}} -+ -82 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/82.pdf}} -\xrightarrow[0.23]{2.31} +\xrightarrow[0.02]{0.19} 40 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/40.pdf}} + -50 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/50.pdf}} +68 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/68.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(1, 0), (1, 11)] +[(1, 0), (1, 3)] \end{verbatim} product bonds broken:\begin{verbatim} -[(0, 12), (0, 13)] +[(1, 0), (1, 1)] \end{verbatim} @@ -2476,25 +2508,25 @@ Terminal.KEEP \end{verbatim} $$ +42 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/42.pdf}} ++ 65 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/65.pdf}} -+ -70 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/70.pdf}} -\xrightarrow[0.01]{0.10} +\xrightarrow[0.05]{0.53} 40 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/40.pdf}} + -89 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/89.pdf}} +69 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/69.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(1, 9), (1, 10)] +[(1, 0), (1, 3)] \end{verbatim} product bonds broken:\begin{verbatim} -[(0, 9), (0, 25)] +[(1, 0), (1, 3)] \end{verbatim} @@ -2508,25 +2540,25 @@ Terminal.KEEP \end{verbatim} $$ -67 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/67.pdf}} +42 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/42.pdf}} + -80 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/80.pdf}} -\xrightarrow[0.14]{1.39} -41 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/41.pdf}} +65 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/65.pdf}} +\xrightarrow[0.17]{1.69} +40 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/40.pdf}} + -48 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/48.pdf}} +70 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/70.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(1, 0), (1, 11)] +[(1, 12), (1, 13)] \end{verbatim} product bonds broken:\begin{verbatim} -[(0, 9), (0, 25)] +[(1, 9), (1, 10)] \end{verbatim} @@ -2540,25 +2572,25 @@ Terminal.KEEP \end{verbatim} $$ -67 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/67.pdf}} +42 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/42.pdf}} + -82 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/82.pdf}} -\xrightarrow[0.28]{2.80} -41 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/41.pdf}} +66 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/66.pdf}} +\xrightarrow[0.14]{1.38} +40 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/40.pdf}} + -50 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/50.pdf}} +69 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/69.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(1, 0), (1, 11)] +[(1, 9), (1, 10)] \end{verbatim} product bonds broken:\begin{verbatim} -[(0, 9), (0, 25)] +[(1, 12), (1, 13)] \end{verbatim} @@ -2572,25 +2604,25 @@ Terminal.KEEP \end{verbatim} $$ -67 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/67.pdf}} -+ -82 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/82.pdf}} -\xrightarrow[0.10]{0.99} 42 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/42.pdf}} + -49 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/49.pdf}} +66 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/66.pdf}} +\xrightarrow[0.25]{2.54} +40 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/40.pdf}} ++ +70 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/70.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(1, 0), (1, 11)] +[(1, 0), (1, 3)] \end{verbatim} product bonds broken:\begin{verbatim} -[(0, 9), (0, 25)] +[(1, 0), (1, 3)] \end{verbatim} @@ -2604,14 +2636,14 @@ Terminal.KEEP \end{verbatim} $$ +42 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/42.pdf}} ++ 67 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/67.pdf}} -+ -82 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/82.pdf}} -\xrightarrow[0.14]{1.43} -49 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/49.pdf}} +\xrightarrow[0.11]{1.13} +68 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/68.pdf}} + 93 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/93.pdf}} @@ -2619,7 +2651,7 @@ reactant bonds broken:\begin{verbatim} -[(1, 0), (1, 11)] +[(0, 12), (0, 13)] \end{verbatim} product bonds broken:\begin{verbatim} [(1, 12), (1, 25)] @@ -2636,22 +2668,22 @@ Terminal.KEEP \end{verbatim} $$ -68 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/68.pdf}} +66 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/66.pdf}} + -80 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/80.pdf}} -\xrightarrow[0.07]{0.71} -41 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/41.pdf}} +93 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/93.pdf}} +\xrightarrow[0.04]{0.40} +42 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/42.pdf}} + -48 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/48.pdf}} +65 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/65.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(1, 0), (1, 11)] +[(1, 12), (1, 25)] \end{verbatim} product bonds broken:\begin{verbatim} [(0, 12), (0, 13)] @@ -2668,17 +2700,17 @@ Terminal.KEEP \end{verbatim} $$ -68 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/68.pdf}} +65 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/65.pdf}} + -82 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/82.pdf}} -\xrightarrow[0.21]{2.12} +81 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/81.pdf}} +\xrightarrow[0.15]{1.51} 41 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/41.pdf}} + -50 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/50.pdf}} +48 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/48.pdf}} $$ @@ -2686,7 +2718,7 @@ [(1, 0), (1, 11)] \end{verbatim} product bonds broken:\begin{verbatim} -[(0, 12), (0, 13)] +[(0, 9), (0, 25)] \end{verbatim} @@ -2700,17 +2732,17 @@ Terminal.KEEP \end{verbatim} $$ -68 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/68.pdf}} +65 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/65.pdf}} + 82 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/82.pdf}} -\xrightarrow[0.03]{0.30} -42 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/42.pdf}} +\xrightarrow[0.15]{1.46} +40 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/40.pdf}} + -49 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/49.pdf}} +50 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/50.pdf}} $$ @@ -2718,7 +2750,7 @@ [(1, 0), (1, 11)] \end{verbatim} product bonds broken:\begin{verbatim} -[(0, 12), (0, 13)] +[(0, 9), (0, 25)] \end{verbatim} @@ -2732,25 +2764,25 @@ Terminal.KEEP \end{verbatim} $$ -41 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/41.pdf}} -+ -46 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/46.pdf}} -\xrightarrow[0.02]{0.17} 66 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/66.pdf}} + -75 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/75.pdf}} +81 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/81.pdf}} +\xrightarrow[0.24]{2.36} +41 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/41.pdf}} ++ +48 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/48.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(0, 12), (0, 13)] +[(1, 0), (1, 11)] \end{verbatim} product bonds broken:\begin{verbatim} -[(1, 0), (1, 1)] +[(0, 12), (0, 13)] \end{verbatim} @@ -2764,12 +2796,12 @@ Terminal.KEEP \end{verbatim} $$ -69 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/69.pdf}} +66 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/66.pdf}} + -80 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/80.pdf}} -\xrightarrow[0.23]{2.30} +82 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/82.pdf}} +\xrightarrow[0.23]{2.31} 40 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/40.pdf}} + @@ -2782,7 +2814,7 @@ [(1, 0), (1, 11)] \end{verbatim} product bonds broken:\begin{verbatim} -[(0, 9), (0, 25)] +[(0, 12), (0, 13)] \end{verbatim} @@ -2796,25 +2828,25 @@ Terminal.KEEP \end{verbatim} $$ -66 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/66.pdf}} -+ 67 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/67.pdf}} -\xrightarrow[0.04]{0.35} ++ +80 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/80.pdf}} +\xrightarrow[0.14]{1.39} 41 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/41.pdf}} + -87 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/87.pdf}} +48 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/48.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(1, 12), (1, 13)] +[(1, 0), (1, 11)] \end{verbatim} product bonds broken:\begin{verbatim} -[(0, 12), (0, 13)] +[(0, 9), (0, 25)] \end{verbatim} @@ -2828,14 +2860,14 @@ Terminal.KEEP \end{verbatim} $$ -70 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/70.pdf}} +67 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/67.pdf}} + -80 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/80.pdf}} -\xrightarrow[0.11]{1.13} -40 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/40.pdf}} +82 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/82.pdf}} +\xrightarrow[0.28]{2.80} +41 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/41.pdf}} + 50 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/50.pdf}} @@ -2846,7 +2878,7 @@ [(1, 0), (1, 11)] \end{verbatim} product bonds broken:\begin{verbatim} -[(0, 12), (0, 13)] +[(0, 9), (0, 25)] \end{verbatim} @@ -2860,25 +2892,25 @@ Terminal.KEEP \end{verbatim} $$ -41 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/41.pdf}} -+ -46 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/46.pdf}} -\xrightarrow[0.11]{1.07} 67 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/67.pdf}} + -74 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/74.pdf}} +82 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/82.pdf}} +\xrightarrow[0.10]{0.99} +42 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/42.pdf}} ++ +49 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/49.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(0, 9), (0, 25)] +[(1, 0), (1, 11)] \end{verbatim} product bonds broken:\begin{verbatim} -[(1, 0), (1, 1)] +[(0, 9), (0, 25)] \end{verbatim} @@ -2892,25 +2924,25 @@ Terminal.KEEP \end{verbatim} $$ -66 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/66.pdf}} +67 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/67.pdf}} + -69 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/69.pdf}} -\xrightarrow[0.21]{2.12} -40 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/40.pdf}} +82 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/82.pdf}} +\xrightarrow[0.14]{1.43} +49 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/49.pdf}} + -89 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/89.pdf}} +93 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/93.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(1, 12), (1, 13)] +[(1, 0), (1, 11)] \end{verbatim} product bonds broken:\begin{verbatim} -[(0, 12), (0, 13)] +[(1, 12), (1, 25)] \end{verbatim} @@ -2924,22 +2956,22 @@ Terminal.KEEP \end{verbatim} $$ -66 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/66.pdf}} +68 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/68.pdf}} + -70 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/70.pdf}} -\xrightarrow[0.10]{0.95} -40 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/40.pdf}} +80 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/80.pdf}} +\xrightarrow[0.07]{0.71} +41 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/41.pdf}} + -89 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/89.pdf}} +48 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/48.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(1, 9), (1, 10)] +[(1, 0), (1, 11)] \end{verbatim} product bonds broken:\begin{verbatim} [(0, 12), (0, 13)] @@ -2956,25 +2988,25 @@ Terminal.KEEP \end{verbatim} $$ -41 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/41.pdf}} -+ -46 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/46.pdf}} -\xrightarrow[0.18]{1.76} 68 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/68.pdf}} + -74 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/74.pdf}} +82 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/82.pdf}} +\xrightarrow[0.21]{2.12} +41 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/41.pdf}} ++ +50 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/50.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(0, 12), (0, 13)] +[(1, 0), (1, 11)] \end{verbatim} product bonds broken:\begin{verbatim} -[(1, 0), (1, 1)] +[(0, 12), (0, 13)] \end{verbatim} @@ -2988,25 +3020,25 @@ Terminal.KEEP \end{verbatim} $$ -67 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/67.pdf}} +68 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/68.pdf}} + -69 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/69.pdf}} -\xrightarrow[0.26]{2.61} -41 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/41.pdf}} +82 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/82.pdf}} +\xrightarrow[0.03]{0.30} +42 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/42.pdf}} + -89 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/89.pdf}} +49 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/49.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(1, 12), (1, 13)] +[(1, 0), (1, 11)] \end{verbatim} product bonds broken:\begin{verbatim} -[(0, 9), (0, 25)] +[(0, 12), (0, 13)] \end{verbatim} @@ -3020,22 +3052,22 @@ Terminal.KEEP \end{verbatim} $$ -67 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/67.pdf}} -+ 69 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/69.pdf}} -\xrightarrow[0.07]{0.70} -42 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/42.pdf}} + -88 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/88.pdf}} +80 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/80.pdf}} +\xrightarrow[0.23]{2.30} +40 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/40.pdf}} ++ +50 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/50.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(1, 12), (1, 13)] +[(1, 0), (1, 11)] \end{verbatim} product bonds broken:\begin{verbatim} [(0, 9), (0, 25)] @@ -3052,25 +3084,25 @@ Terminal.KEEP \end{verbatim} $$ -42 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/42.pdf}} +70 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/70.pdf}} + -47 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/47.pdf}} -\xrightarrow[0.01]{0.09} -67 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/67.pdf}} +80 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/80.pdf}} +\xrightarrow[0.11]{1.13} +40 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/40.pdf}} + -76 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/76.pdf}} +50 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/50.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(0, 9), (0, 25)] +[(1, 0), (1, 11)] \end{verbatim} product bonds broken:\begin{verbatim} -[(1, 0), (1, 1)] +[(0, 12), (0, 13)] \end{verbatim} @@ -3084,25 +3116,25 @@ Terminal.KEEP \end{verbatim} $$ -67 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/67.pdf}} +41 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/41.pdf}} + -69 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/69.pdf}} -\xrightarrow[0.11]{1.14} -88 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/88.pdf}} +46 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/46.pdf}} +\xrightarrow[0.10]{1.02} +65 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/65.pdf}} + -93 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/93.pdf}} +75 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/75.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(1, 12), (1, 13)] +[(0, 9), (0, 25)] \end{verbatim} product bonds broken:\begin{verbatim} -[(1, 12), (1, 25)] +[(1, 0), (1, 1)] \end{verbatim} @@ -3116,25 +3148,25 @@ Terminal.KEEP \end{verbatim} $$ -67 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/67.pdf}} -+ -70 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/70.pdf}} -\xrightarrow[0.14]{1.45} 41 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/41.pdf}} + -89 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/89.pdf}} -$$ - - -reactant bonds broken:\begin{verbatim} -[(1, 9), (1, 10)] -\end{verbatim} +46 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/46.pdf}} +\xrightarrow[0.02]{0.17} +66 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/66.pdf}} ++ +75 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/75.pdf}} +$$ + + +reactant bonds broken:\begin{verbatim} +[(0, 12), (0, 13)] +\end{verbatim} product bonds broken:\begin{verbatim} -[(0, 9), (0, 25)] +[(1, 0), (1, 1)] \end{verbatim} @@ -3148,25 +3180,25 @@ Terminal.KEEP \end{verbatim} $$ -68 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/68.pdf}} -+ -69 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/69.pdf}} -\xrightarrow[0.19]{1.93} 41 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/41.pdf}} + -89 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/89.pdf}} +46 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/46.pdf}} +\xrightarrow[0.11]{1.07} +67 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/67.pdf}} ++ +74 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/74.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(1, 12), (1, 13)] +[(0, 9), (0, 25)] \end{verbatim} product bonds broken:\begin{verbatim} -[(0, 12), (0, 13)] +[(1, 0), (1, 1)] \end{verbatim} @@ -3180,17 +3212,17 @@ Terminal.KEEP \end{verbatim} $$ -42 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/42.pdf}} +41 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/41.pdf}} + -47 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/47.pdf}} -\xrightarrow[0.08]{0.78} +46 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/46.pdf}} +\xrightarrow[0.18]{1.76} 68 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/68.pdf}} + -76 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/76.pdf}} +74 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/74.pdf}} $$ @@ -3212,25 +3244,25 @@ Terminal.KEEP \end{verbatim} $$ -68 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/68.pdf}} -+ -69 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/69.pdf}} -\xrightarrow[0.00]{0.01} 42 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/42.pdf}} + -88 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/88.pdf}} +47 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/47.pdf}} +\xrightarrow[0.01]{0.09} +67 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/67.pdf}} ++ +76 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/76.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(1, 12), (1, 13)] +[(0, 9), (0, 25)] \end{verbatim} product bonds broken:\begin{verbatim} -[(0, 12), (0, 13)] +[(1, 0), (1, 1)] \end{verbatim} @@ -3244,25 +3276,25 @@ Terminal.KEEP \end{verbatim} $$ +42 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/42.pdf}} ++ +47 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/47.pdf}} +\xrightarrow[0.08]{0.78} 68 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/68.pdf}} + -70 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/70.pdf}} -\xrightarrow[0.08]{0.76} -41 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/41.pdf}} -+ -89 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/89.pdf}} +76 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/76.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(1, 9), (1, 10)] +[(0, 12), (0, 13)] \end{verbatim} product bonds broken:\begin{verbatim} -[(0, 12), (0, 13)] +[(1, 0), (1, 1)] \end{verbatim} @@ -3300,38 +3332,6 @@ -\vspace{1cm} -\begin{verbatim} -more than one reactant -fragment matching found -free_energy dG is above threshold=0.0 -Terminal.KEEP -\end{verbatim} -$$ -88 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/88.pdf}} -+ -93 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/93.pdf}} -\xrightarrow[0.00]{0.02} -67 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/67.pdf}} -+ -70 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/70.pdf}} -$$ - - -reactant bonds broken:\begin{verbatim} -[(1, 12), (1, 25)] -\end{verbatim} -product bonds broken:\begin{verbatim} -[(1, 9), (1, 10)] -\end{verbatim} - - - - \vspace{1cm} \begin{verbatim} more than one reactant @@ -3404,25 +3404,25 @@ Terminal.KEEP \end{verbatim} $$ -80 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/80.pdf}} +34 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/34.pdf}} ++ +54 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/54.pdf}} +\xrightarrow[0.02]{0.20} +73 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/73.pdf}} + 95 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/95.pdf}} -\xrightarrow[0.08]{0.82} -33 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/33.pdf}} -+ -48 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/48.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(0, 0), (0, 11)] +[(0, 1), (0, 6)] \end{verbatim} product bonds broken:\begin{verbatim} -[(0, 1), (0, 6)] +[(0, 3), (0, 10)] \end{verbatim} @@ -3439,14 +3439,14 @@ 80 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/80.pdf}} + -96 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/96.pdf}} -\xrightarrow[0.14]{1.44} -32 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/32.pdf}} +95 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/95.pdf}} +\xrightarrow[0.08]{0.82} +33 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/33.pdf}} + -50 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/50.pdf}} +48 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/48.pdf}} $$ @@ -3468,25 +3468,25 @@ Terminal.KEEP \end{verbatim} $$ -34 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/34.pdf}} +80 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/80.pdf}} + -54 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/54.pdf}} -\xrightarrow[0.02]{0.20} -73 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/73.pdf}} +96 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/96.pdf}} +\xrightarrow[0.14]{1.44} +32 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/32.pdf}} + -95 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/95.pdf}} +50 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/50.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(0, 1), (0, 6)] +[(0, 0), (0, 11)] \end{verbatim} product bonds broken:\begin{verbatim} -[(0, 3), (0, 10)] +[(0, 1), (0, 6)] \end{verbatim} @@ -3724,17 +3724,17 @@ Terminal.KEEP \end{verbatim} $$ -46 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/46.pdf}} +49 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/49.pdf}} + 79 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/79.pdf}} -\xrightarrow[0.12]{1.18} -29 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/29.pdf}} +\xrightarrow[0.10]{0.95} +28 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/28.pdf}} + -74 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/74.pdf}} +82 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/82.pdf}} $$ @@ -3742,7 +3742,7 @@ [(1, 10), (1, 34)] \end{verbatim} product bonds broken:\begin{verbatim} -[(1, 0), (1, 1)] +[(1, 0), (1, 11)] \end{verbatim} @@ -3756,17 +3756,17 @@ Terminal.KEEP \end{verbatim} $$ -49 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/49.pdf}} +46 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/46.pdf}} + 79 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/79.pdf}} -\xrightarrow[0.10]{0.95} -28 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/28.pdf}} +\xrightarrow[0.12]{1.18} +29 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/29.pdf}} + -82 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/82.pdf}} +74 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/74.pdf}} $$ @@ -3774,7 +3774,7 @@ [(1, 10), (1, 34)] \end{verbatim} product bonds broken:\begin{verbatim} -[(1, 0), (1, 11)] +[(1, 0), (1, 1)] \end{verbatim} @@ -3884,25 +3884,25 @@ Terminal.KEEP \end{verbatim} $$ -25 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/25.pdf}} +29 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/29.pdf}} + -95 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/95.pdf}} -\xrightarrow[0.06]{0.57} -32 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/32.pdf}} +41 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/41.pdf}} +\xrightarrow[0.06]{0.58} +68 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/68.pdf}} + -33 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/33.pdf}} +79 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/79.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(0, 0), (0, 13)] +[(1, 12), (1, 13)] \end{verbatim} product bonds broken:\begin{verbatim} -[(1, 1), (1, 6)] +[(1, 10), (1, 34)] \end{verbatim} @@ -3916,25 +3916,25 @@ Terminal.KEEP \end{verbatim} $$ -26 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/26.pdf}} +67 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/67.pdf}} + -94 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/94.pdf}} -\xrightarrow[0.10]{0.96} -32 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/32.pdf}} +79 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/79.pdf}} +\xrightarrow[0.19]{1.94} +28 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/28.pdf}} + -33 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/33.pdf}} +42 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/42.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(0, 0), (0, 13)] +[(1, 10), (1, 34)] \end{verbatim} product bonds broken:\begin{verbatim} -[(1, 1), (1, 6)] +[(1, 9), (1, 25)] \end{verbatim} @@ -3948,25 +3948,25 @@ Terminal.KEEP \end{verbatim} $$ -33 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/33.pdf}} +67 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/67.pdf}} + -34 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/34.pdf}} -\xrightarrow[0.12]{1.17} -27 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/27.pdf}} +79 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/79.pdf}} +\xrightarrow[0.24]{2.39} +28 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/28.pdf}} + -95 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/95.pdf}} +93 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/93.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(1, 1), (1, 6)] +[(1, 10), (1, 34)] \end{verbatim} product bonds broken:\begin{verbatim} -[(0, 0), (0, 13)] +[(1, 12), (1, 25)] \end{verbatim} @@ -3980,25 +3980,25 @@ Terminal.KEEP \end{verbatim} $$ -26 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/26.pdf}} +67 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/67.pdf}} + -85 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/85.pdf}} -\xrightarrow[0.15]{1.51} -32 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/32.pdf}} +79 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/79.pdf}} +\xrightarrow[0.01]{0.10} +29 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/29.pdf}} + -44 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/44.pdf}} +41 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/41.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(0, 0), (0, 13)] +[(1, 10), (1, 34)] \end{verbatim} product bonds broken:\begin{verbatim} -[(1, 0), (1, 1)] +[(1, 9), (1, 25)] \end{verbatim} @@ -4012,26 +4012,58 @@ Terminal.KEEP \end{verbatim} $$ -29 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/29.pdf}} -+ -41 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/41.pdf}} -\xrightarrow[0.06]{0.58} 68 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/68.pdf}} + 79 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/79.pdf}} +\xrightarrow[0.13]{1.26} +28 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/28.pdf}} ++ +42 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/42.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(1, 12), (1, 13)] +[(1, 10), (1, 34)] \end{verbatim} product bonds broken:\begin{verbatim} +[(1, 12), (1, 13)] +\end{verbatim} + + + + +\vspace{1cm} +\begin{verbatim} +more than one reactant +fragment matching found +free_energy dG is above threshold=0.0 +Terminal.KEEP +\end{verbatim} +$$ +69 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/69.pdf}} ++ +78 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/78.pdf}} +\xrightarrow[0.54]{5.39} +30 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/30.pdf}} ++ +40 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/40.pdf}} +$$ + + +reactant bonds broken:\begin{verbatim} [(1, 10), (1, 34)] \end{verbatim} +product bonds broken:\begin{verbatim} +[(1, 9), (1, 25)] +\end{verbatim} @@ -4044,22 +4076,22 @@ Terminal.KEEP \end{verbatim} $$ -26 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/26.pdf}} +70 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/70.pdf}} + -87 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/87.pdf}} -\xrightarrow[0.26]{2.58} -32 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/32.pdf}} +78 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/78.pdf}} +\xrightarrow[0.42]{4.22} +30 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/30.pdf}} + -67 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/67.pdf}} +40 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/40.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(0, 0), (0, 13)] +[(1, 10), (1, 34)] \end{verbatim} product bonds broken:\begin{verbatim} [(1, 12), (1, 13)] @@ -4076,17 +4108,17 @@ Terminal.KEEP \end{verbatim} $$ -27 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/27.pdf}} +25 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/25.pdf}} + -85 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/85.pdf}} -\xrightarrow[0.31]{3.10} +95 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/95.pdf}} +\xrightarrow[0.06]{0.57} 32 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/32.pdf}} + -45 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/45.pdf}} +33 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/33.pdf}} $$ @@ -4094,7 +4126,7 @@ [(0, 0), (0, 13)] \end{verbatim} product bonds broken:\begin{verbatim} -[(1, 0), (1, 1)] +[(1, 1), (1, 6)] \end{verbatim} @@ -4108,17 +4140,17 @@ Terminal.KEEP \end{verbatim} $$ -27 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/27.pdf}} +26 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/26.pdf}} ++ +94 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/94.pdf}} +\xrightarrow[0.10]{0.96} +32 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/32.pdf}} + -86 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/86.pdf}} -\xrightarrow[0.05]{0.49} 33 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/33.pdf}} -+ -45 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/45.pdf}} $$ @@ -4126,7 +4158,7 @@ [(0, 0), (0, 13)] \end{verbatim} product bonds broken:\begin{verbatim} -[(1, 0), (1, 1)] +[(1, 1), (1, 6)] \end{verbatim} @@ -4140,22 +4172,22 @@ Terminal.KEEP \end{verbatim} $$ +33 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/33.pdf}} ++ 34 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/34.pdf}} -+ -43 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/43.pdf}} -\xrightarrow[0.08]{0.79} +\xrightarrow[0.12]{1.17} 27 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/27.pdf}} + -85 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/85.pdf}} +95 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/95.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(1, 0), (1, 1)] +[(1, 1), (1, 6)] \end{verbatim} product bonds broken:\begin{verbatim} [(0, 0), (0, 13)] @@ -4177,12 +4209,12 @@ + 87 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/87.pdf}} -\xrightarrow[0.33]{3.27} +\xrightarrow[0.26]{2.58} 32 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/32.pdf}} + -68 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/68.pdf}} +67 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/67.pdf}} $$ @@ -4190,7 +4222,7 @@ [(0, 0), (0, 13)] \end{verbatim} product bonds broken:\begin{verbatim} -[(1, 9), (1, 10)] +[(1, 12), (1, 13)] \end{verbatim} @@ -4207,14 +4239,14 @@ 26 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/26.pdf}} + -83 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/83.pdf}} -\xrightarrow[0.47]{4.71} +87 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/87.pdf}} +\xrightarrow[0.33]{3.27} 32 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/32.pdf}} + -61 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/61.pdf}} +68 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/68.pdf}} $$ @@ -4222,7 +4254,7 @@ [(0, 0), (0, 13)] \end{verbatim} product bonds broken:\begin{verbatim} -[(1, 2), (1, 17)] +[(1, 9), (1, 10)] \end{verbatim} @@ -4300,25 +4332,25 @@ Terminal.KEEP \end{verbatim} $$ -67 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/67.pdf}} +32 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/32.pdf}} + -79 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/79.pdf}} -\xrightarrow[0.19]{1.94} -28 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/28.pdf}} +69 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/69.pdf}} +\xrightarrow[0.15]{1.47} +25 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/25.pdf}} + -42 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/42.pdf}} +89 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/89.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(1, 10), (1, 34)] +[(1, 12), (1, 13)] \end{verbatim} product bonds broken:\begin{verbatim} -[(1, 9), (1, 25)] +[(0, 0), (0, 13)] \end{verbatim} @@ -4332,25 +4364,25 @@ Terminal.KEEP \end{verbatim} $$ -67 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/67.pdf}} +32 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/32.pdf}} + -79 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/79.pdf}} -\xrightarrow[0.24]{2.39} -28 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/28.pdf}} +69 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/69.pdf}} +\xrightarrow[0.09]{0.86} +40 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/40.pdf}} + -93 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/93.pdf}} +96 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/96.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(1, 10), (1, 34)] +[(0, 1), (0, 6)] \end{verbatim} product bonds broken:\begin{verbatim} -[(1, 12), (1, 25)] +[(0, 9), (0, 25)] \end{verbatim} @@ -4364,25 +4396,25 @@ Terminal.KEEP \end{verbatim} $$ -67 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/67.pdf}} +32 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/32.pdf}} + -79 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/79.pdf}} -\xrightarrow[0.01]{0.10} -29 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/29.pdf}} +70 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/70.pdf}} +\xrightarrow[0.03]{0.31} +25 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/25.pdf}} + -41 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/41.pdf}} +89 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/89.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(1, 10), (1, 34)] +[(1, 9), (1, 10)] \end{verbatim} product bonds broken:\begin{verbatim} -[(1, 9), (1, 25)] +[(0, 0), (0, 13)] \end{verbatim} @@ -4396,25 +4428,25 @@ Terminal.KEEP \end{verbatim} $$ -25 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/25.pdf}} -+ -67 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/67.pdf}} -\xrightarrow[0.11]{1.14} -32 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/32.pdf}} +33 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/33.pdf}} + +65 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/65.pdf}} +\xrightarrow[0.11]{1.12} 41 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/41.pdf}} -$$ ++ +94 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/94.pdf}} +$$ reactant bonds broken:\begin{verbatim} -[(0, 0), (0, 13)] +[(0, 1), (0, 6)] \end{verbatim} product bonds broken:\begin{verbatim} -[(1, 9), (1, 25)] +[(0, 9), (0, 25)] \end{verbatim} @@ -4428,25 +4460,25 @@ Terminal.KEEP \end{verbatim} $$ -32 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/32.pdf}} +33 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/33.pdf}} + -69 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/69.pdf}} -\xrightarrow[0.15]{1.47} -25 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/25.pdf}} +66 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/66.pdf}} +\xrightarrow[0.01]{0.08} +40 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/40.pdf}} + -89 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/89.pdf}} +95 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/95.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(1, 12), (1, 13)] +[(0, 1), (0, 6)] \end{verbatim} product bonds broken:\begin{verbatim} -[(0, 0), (0, 13)] +[(0, 12), (0, 13)] \end{verbatim} @@ -4460,17 +4492,17 @@ Terminal.KEEP \end{verbatim} $$ -32 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/32.pdf}} +33 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/33.pdf}} + -69 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/69.pdf}} -\xrightarrow[0.09]{0.86} -40 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/40.pdf}} +66 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/66.pdf}} +\xrightarrow[0.20]{1.97} +41 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/41.pdf}} + -96 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/96.pdf}} +94 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/94.pdf}} $$ @@ -4478,7 +4510,7 @@ [(0, 1), (0, 6)] \end{verbatim} product bonds broken:\begin{verbatim} -[(0, 9), (0, 25)] +[(0, 12), (0, 13)] \end{verbatim} @@ -4492,25 +4524,25 @@ Terminal.KEEP \end{verbatim} $$ -68 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/68.pdf}} +33 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/33.pdf}} + -79 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/79.pdf}} -\xrightarrow[0.13]{1.26} -28 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/28.pdf}} +67 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/67.pdf}} +\xrightarrow[0.06]{0.57} +41 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/41.pdf}} + -42 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/42.pdf}} +95 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/95.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(1, 10), (1, 34)] +[(0, 1), (0, 6)] \end{verbatim} product bonds broken:\begin{verbatim} -[(1, 12), (1, 13)] +[(0, 9), (0, 25)] \end{verbatim} @@ -4524,25 +4556,25 @@ Terminal.KEEP \end{verbatim} $$ -25 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/25.pdf}} +33 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/33.pdf}} + -68 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/68.pdf}} -\xrightarrow[0.05]{0.45} -32 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/32.pdf}} +69 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/69.pdf}} +\xrightarrow[0.16]{1.57} +27 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/27.pdf}} + -41 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/41.pdf}} +88 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/88.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(0, 0), (0, 13)] +[(1, 12), (1, 13)] \end{verbatim} product bonds broken:\begin{verbatim} -[(1, 12), (1, 13)] +[(0, 0), (0, 13)] \end{verbatim} @@ -4556,25 +4588,25 @@ Terminal.KEEP \end{verbatim} $$ -69 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/69.pdf}} +33 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/33.pdf}} + -78 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/78.pdf}} -\xrightarrow[0.54]{5.39} -30 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/30.pdf}} +70 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/70.pdf}} +\xrightarrow[0.04]{0.41} +27 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/27.pdf}} + -40 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/40.pdf}} +88 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/88.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(1, 10), (1, 34)] +[(1, 9), (1, 10)] \end{verbatim} product bonds broken:\begin{verbatim} -[(1, 9), (1, 25)] +[(0, 0), (0, 13)] \end{verbatim} @@ -4588,12 +4620,12 @@ Terminal.KEEP \end{verbatim} $$ -32 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/32.pdf}} +34 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/34.pdf}} + -70 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/70.pdf}} -\xrightarrow[0.03]{0.31} +65 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/65.pdf}} +\xrightarrow[0.21]{2.15} 25 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/25.pdf}} + @@ -4603,7 +4635,7 @@ reactant bonds broken:\begin{verbatim} -[(1, 9), (1, 10)] +[(1, 12), (1, 13)] \end{verbatim} product bonds broken:\begin{verbatim} [(0, 0), (0, 13)] @@ -4620,25 +4652,25 @@ Terminal.KEEP \end{verbatim} $$ -26 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/26.pdf}} +34 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/34.pdf}} + 65 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/65.pdf}} -\xrightarrow[0.21]{2.08} -32 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/32.pdf}} +\xrightarrow[0.01]{0.11} +27 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/27.pdf}} + -41 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/41.pdf}} +87 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/87.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(0, 0), (0, 13)] +[(1, 12), (1, 13)] \end{verbatim} product bonds broken:\begin{verbatim} -[(1, 9), (1, 25)] +[(0, 0), (0, 13)] \end{verbatim} @@ -4652,25 +4684,25 @@ Terminal.KEEP \end{verbatim} $$ -70 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/70.pdf}} +34 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/34.pdf}} + -78 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/78.pdf}} -\xrightarrow[0.42]{4.22} -30 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/30.pdf}} +65 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/65.pdf}} +\xrightarrow[0.08]{0.85} +42 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/42.pdf}} + -40 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/40.pdf}} +94 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/94.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(1, 10), (1, 34)] +[(0, 1), (0, 6)] \end{verbatim} product bonds broken:\begin{verbatim} -[(1, 12), (1, 13)] +[(0, 9), (0, 25)] \end{verbatim} @@ -4684,14 +4716,14 @@ Terminal.KEEP \end{verbatim} $$ -33 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/33.pdf}} +34 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/34.pdf}} + 65 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/65.pdf}} -\xrightarrow[0.11]{1.12} -41 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/41.pdf}} +\xrightarrow[0.13]{1.30} +93 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/93.pdf}} + 94 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/94.pdf}} @@ -4702,7 +4734,7 @@ [(0, 1), (0, 6)] \end{verbatim} product bonds broken:\begin{verbatim} -[(0, 9), (0, 25)] +[(0, 12), (0, 25)] \end{verbatim} @@ -4716,25 +4748,25 @@ Terminal.KEEP \end{verbatim} $$ -26 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/26.pdf}} +34 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/34.pdf}} + 66 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/66.pdf}} -\xrightarrow[0.29]{2.93} -32 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/32.pdf}} +\xrightarrow[0.30]{3.00} +25 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/25.pdf}} + -41 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/41.pdf}} +89 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/89.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(0, 0), (0, 13)] +[(1, 9), (1, 10)] \end{verbatim} product bonds broken:\begin{verbatim} -[(1, 12), (1, 13)] +[(0, 0), (0, 13)] \end{verbatim} @@ -4748,25 +4780,25 @@ Terminal.KEEP \end{verbatim} $$ -26 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/26.pdf}} +34 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/34.pdf}} + -48 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/48.pdf}} -\xrightarrow[0.06]{0.57} -32 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/32.pdf}} +66 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/66.pdf}} +\xrightarrow[0.10]{0.96} +27 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/27.pdf}} + -81 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/81.pdf}} +87 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/87.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(0, 0), (0, 13)] +[(1, 9), (1, 10)] \end{verbatim} product bonds broken:\begin{verbatim} -[(1, 0), (1, 11)] +[(0, 0), (0, 13)] \end{verbatim} @@ -4780,25 +4812,25 @@ Terminal.KEEP \end{verbatim} $$ -32 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/32.pdf}} +34 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/34.pdf}} + -82 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/82.pdf}} -\xrightarrow[0.17]{1.67} -25 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/25.pdf}} +66 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/66.pdf}} +\xrightarrow[0.17]{1.70} +42 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/42.pdf}} + -50 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/50.pdf}} +94 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/94.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(1, 0), (1, 11)] +[(0, 1), (0, 6)] \end{verbatim} product bonds broken:\begin{verbatim} -[(0, 0), (0, 13)] +[(0, 12), (0, 13)] \end{verbatim} @@ -4812,25 +4844,25 @@ Terminal.KEEP \end{verbatim} $$ -32 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/32.pdf}} +34 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/34.pdf}} + -82 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/82.pdf}} -\xrightarrow[0.05]{0.48} -27 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/27.pdf}} +67 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/67.pdf}} +\xrightarrow[0.03]{0.30} +42 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/42.pdf}} + -48 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/48.pdf}} +95 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/95.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(1, 0), (1, 11)] +[(0, 1), (0, 6)] \end{verbatim} product bonds broken:\begin{verbatim} -[(0, 0), (0, 13)] +[(0, 9), (0, 25)] \end{verbatim} @@ -4844,25 +4876,25 @@ Terminal.KEEP \end{verbatim} $$ -33 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/33.pdf}} +34 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/34.pdf}} + -82 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/82.pdf}} -\xrightarrow[0.19]{1.86} -27 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/27.pdf}} +67 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/67.pdf}} +\xrightarrow[0.07]{0.75} +93 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/93.pdf}} + -49 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/49.pdf}} +95 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/95.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(1, 0), (1, 11)] +[(0, 1), (0, 6)] \end{verbatim} product bonds broken:\begin{verbatim} -[(0, 0), (0, 13)] +[(0, 12), (0, 25)] \end{verbatim} @@ -4876,25 +4908,25 @@ Terminal.KEEP \end{verbatim} $$ -34 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/34.pdf}} +40 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/40.pdf}} + -80 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/80.pdf}} -\xrightarrow[0.32]{3.18} -25 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/25.pdf}} +96 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/96.pdf}} +\xrightarrow[0.03]{0.31} +32 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/32.pdf}} + -50 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/50.pdf}} +70 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/70.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(1, 0), (1, 11)] +[(0, 12), (0, 13)] \end{verbatim} product bonds broken:\begin{verbatim} -[(0, 0), (0, 13)] +[(0, 1), (0, 6)] \end{verbatim} @@ -4908,25 +4940,25 @@ Terminal.KEEP \end{verbatim} $$ -34 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/34.pdf}} +41 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/41.pdf}} + -80 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/80.pdf}} -\xrightarrow[0.20]{2.00} -27 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/27.pdf}} +95 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/95.pdf}} +\xrightarrow[0.01]{0.11} +33 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/33.pdf}} + -48 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/48.pdf}} +68 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/68.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(1, 0), (1, 11)] +[(0, 12), (0, 13)] \end{verbatim} product bonds broken:\begin{verbatim} -[(0, 0), (0, 13)] +[(0, 1), (0, 6)] \end{verbatim} @@ -4940,25 +4972,25 @@ Terminal.KEEP \end{verbatim} $$ -33 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/33.pdf}} -+ -66 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/66.pdf}} -\xrightarrow[0.01]{0.08} -40 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/40.pdf}} +42 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/42.pdf}} + 95 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/95.pdf}} +\xrightarrow[0.04]{0.38} +34 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/34.pdf}} ++ +68 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/68.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(0, 1), (0, 6)] +[(0, 12), (0, 13)] \end{verbatim} product bonds broken:\begin{verbatim} -[(0, 12), (0, 13)] +[(0, 1), (0, 6)] \end{verbatim} @@ -4972,25 +5004,25 @@ Terminal.KEEP \end{verbatim} $$ -33 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/33.pdf}} +26 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/26.pdf}} + -66 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/66.pdf}} -\xrightarrow[0.20]{1.97} -41 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/41.pdf}} +85 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/85.pdf}} +\xrightarrow[0.15]{1.51} +32 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/32.pdf}} + -94 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/94.pdf}} +44 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/44.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(0, 1), (0, 6)] +[(0, 0), (0, 13)] \end{verbatim} product bonds broken:\begin{verbatim} -[(0, 12), (0, 13)] +[(1, 0), (1, 1)] \end{verbatim} @@ -5004,25 +5036,25 @@ Terminal.KEEP \end{verbatim} $$ -33 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/33.pdf}} +27 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/27.pdf}} + -67 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/67.pdf}} -\xrightarrow[0.06]{0.57} -41 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/41.pdf}} +85 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/85.pdf}} +\xrightarrow[0.31]{3.10} +32 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/32.pdf}} + -95 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/95.pdf}} +45 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/45.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(0, 1), (0, 6)] +[(0, 0), (0, 13)] \end{verbatim} product bonds broken:\begin{verbatim} -[(0, 9), (0, 25)] +[(1, 0), (1, 1)] \end{verbatim} @@ -5036,25 +5068,25 @@ Terminal.KEEP \end{verbatim} $$ -33 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/33.pdf}} -+ -69 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/69.pdf}} -\xrightarrow[0.16]{1.57} 27 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/27.pdf}} + -88 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/88.pdf}} +86 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/86.pdf}} +\xrightarrow[0.05]{0.49} +33 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/33.pdf}} ++ +45 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/45.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(1, 12), (1, 13)] +[(0, 0), (0, 13)] \end{verbatim} product bonds broken:\begin{verbatim} -[(0, 0), (0, 13)] +[(1, 0), (1, 1)] \end{verbatim} @@ -5068,22 +5100,22 @@ Terminal.KEEP \end{verbatim} $$ -33 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/33.pdf}} +34 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/34.pdf}} + -70 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/70.pdf}} -\xrightarrow[0.04]{0.41} +43 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/43.pdf}} +\xrightarrow[0.08]{0.79} 27 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/27.pdf}} + -88 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/88.pdf}} +85 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/85.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(1, 9), (1, 10)] +[(1, 0), (1, 1)] \end{verbatim} product bonds broken:\begin{verbatim} [(0, 0), (0, 13)] @@ -5100,25 +5132,25 @@ Terminal.KEEP \end{verbatim} $$ -33 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/33.pdf}} +26 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/26.pdf}} + -42 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/42.pdf}} -\xrightarrow[0.09]{0.88} -27 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/27.pdf}} +83 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/83.pdf}} +\xrightarrow[0.47]{4.71} +32 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/32.pdf}} + -67 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/67.pdf}} +61 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/61.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(1, 9), (1, 25)] +[(0, 0), (0, 13)] \end{verbatim} product bonds broken:\begin{verbatim} -[(0, 0), (0, 13)] +[(1, 2), (1, 17)] \end{verbatim} @@ -5132,25 +5164,25 @@ Terminal.KEEP \end{verbatim} $$ -33 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/33.pdf}} +25 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/25.pdf}} + -42 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/42.pdf}} -\xrightarrow[0.16]{1.56} -27 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/27.pdf}} +67 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/67.pdf}} +\xrightarrow[0.11]{1.14} +32 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/32.pdf}} + -68 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/68.pdf}} +41 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/41.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(1, 12), (1, 13)] +[(0, 0), (0, 13)] \end{verbatim} product bonds broken:\begin{verbatim} -[(0, 0), (0, 13)] +[(1, 9), (1, 25)] \end{verbatim} @@ -5164,25 +5196,25 @@ Terminal.KEEP \end{verbatim} $$ -34 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/34.pdf}} -+ -65 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/65.pdf}} -\xrightarrow[0.21]{2.15} 25 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/25.pdf}} + -89 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/89.pdf}} +68 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/68.pdf}} +\xrightarrow[0.05]{0.45} +32 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/32.pdf}} ++ +41 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/41.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(1, 12), (1, 13)] +[(0, 0), (0, 13)] \end{verbatim} product bonds broken:\begin{verbatim} -[(0, 0), (0, 13)] +[(1, 12), (1, 13)] \end{verbatim} @@ -5196,25 +5228,25 @@ Terminal.KEEP \end{verbatim} $$ -33 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/33.pdf}} +26 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/26.pdf}} + -93 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/93.pdf}} -\xrightarrow[0.04]{0.43} -27 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/27.pdf}} +65 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/65.pdf}} +\xrightarrow[0.21]{2.08} +32 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/32.pdf}} + -67 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/67.pdf}} +41 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/41.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(1, 12), (1, 25)] +[(0, 0), (0, 13)] \end{verbatim} product bonds broken:\begin{verbatim} -[(0, 0), (0, 13)] +[(1, 9), (1, 25)] \end{verbatim} @@ -5228,25 +5260,25 @@ Terminal.KEEP \end{verbatim} $$ -34 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/34.pdf}} +26 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/26.pdf}} + -65 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/65.pdf}} -\xrightarrow[0.01]{0.11} -27 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/27.pdf}} +66 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/66.pdf}} +\xrightarrow[0.29]{2.93} +32 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/32.pdf}} + -87 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/87.pdf}} +41 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/41.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(1, 12), (1, 13)] +[(0, 0), (0, 13)] \end{verbatim} product bonds broken:\begin{verbatim} -[(0, 0), (0, 13)] +[(1, 12), (1, 13)] \end{verbatim} @@ -5260,12 +5292,12 @@ Terminal.KEEP \end{verbatim} $$ -34 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/34.pdf}} +33 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/33.pdf}} + -41 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/41.pdf}} -\xrightarrow[0.06]{0.61} +42 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/42.pdf}} +\xrightarrow[0.09]{0.88} 27 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/27.pdf}} + @@ -5292,25 +5324,25 @@ Terminal.KEEP \end{verbatim} $$ -25 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/25.pdf}} +33 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/33.pdf}} + -29 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/29.pdf}} -\xrightarrow[0.10]{1.03} -32 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/32.pdf}} +42 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/42.pdf}} +\xrightarrow[0.16]{1.56} +27 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/27.pdf}} + -79 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/79.pdf}} +68 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/68.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(0, 0), (0, 13)] +[(1, 12), (1, 13)] \end{verbatim} product bonds broken:\begin{verbatim} -[(1, 10), (1, 34)] +[(0, 0), (0, 13)] \end{verbatim} @@ -5324,22 +5356,22 @@ Terminal.KEEP \end{verbatim} $$ -34 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/34.pdf}} +33 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/33.pdf}} + -41 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/41.pdf}} -\xrightarrow[0.13]{1.29} +93 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/93.pdf}} +\xrightarrow[0.04]{0.43} 27 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/27.pdf}} + -68 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/68.pdf}} +67 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/67.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(1, 12), (1, 13)] +[(1, 12), (1, 25)] \end{verbatim} product bonds broken:\begin{verbatim} [(0, 0), (0, 13)] @@ -5356,25 +5388,25 @@ Terminal.KEEP \end{verbatim} $$ -25 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/25.pdf}} -+ -29 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/29.pdf}} -\xrightarrow[0.18]{1.77} 34 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/34.pdf}} + -77 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/77.pdf}} +41 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/41.pdf}} +\xrightarrow[0.06]{0.61} +27 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/27.pdf}} ++ +67 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/67.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(0, 0), (0, 13)] +[(1, 9), (1, 25)] \end{verbatim} product bonds broken:\begin{verbatim} -[(1, 10), (1, 34)] +[(0, 0), (0, 13)] \end{verbatim} @@ -5391,22 +5423,22 @@ 34 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/34.pdf}} + -65 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/65.pdf}} -\xrightarrow[0.08]{0.85} -42 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/42.pdf}} +41 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/41.pdf}} +\xrightarrow[0.13]{1.29} +27 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/27.pdf}} + -94 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/94.pdf}} +68 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/68.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(0, 1), (0, 6)] +[(1, 12), (1, 13)] \end{verbatim} product bonds broken:\begin{verbatim} -[(0, 9), (0, 25)] +[(0, 0), (0, 13)] \end{verbatim} @@ -5420,25 +5452,25 @@ Terminal.KEEP \end{verbatim} $$ -34 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/34.pdf}} +26 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/26.pdf}} + -65 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/65.pdf}} -\xrightarrow[0.13]{1.30} -93 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/93.pdf}} +48 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/48.pdf}} +\xrightarrow[0.06]{0.57} +32 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/32.pdf}} + -94 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/94.pdf}} +81 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/81.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(0, 1), (0, 6)] +[(0, 0), (0, 13)] \end{verbatim} product bonds broken:\begin{verbatim} -[(0, 12), (0, 25)] +[(1, 0), (1, 11)] \end{verbatim} @@ -5452,22 +5484,22 @@ Terminal.KEEP \end{verbatim} $$ -34 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/34.pdf}} +32 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/32.pdf}} + -66 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/66.pdf}} -\xrightarrow[0.30]{3.00} +82 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/82.pdf}} +\xrightarrow[0.17]{1.67} 25 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/25.pdf}} + -89 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/89.pdf}} +50 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/50.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(1, 9), (1, 10)] +[(1, 0), (1, 11)] \end{verbatim} product bonds broken:\begin{verbatim} [(0, 0), (0, 13)] @@ -5484,22 +5516,22 @@ Terminal.KEEP \end{verbatim} $$ -33 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/33.pdf}} +32 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/32.pdf}} + -79 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/79.pdf}} -\xrightarrow[0.28]{2.82} +82 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/82.pdf}} +\xrightarrow[0.05]{0.48} 27 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/27.pdf}} + -28 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/28.pdf}} +48 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/48.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(1, 10), (1, 34)] +[(1, 0), (1, 11)] \end{verbatim} product bonds broken:\begin{verbatim} [(0, 0), (0, 13)] @@ -5516,22 +5548,22 @@ Terminal.KEEP \end{verbatim} $$ -34 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/34.pdf}} +33 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/33.pdf}} + -66 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/66.pdf}} -\xrightarrow[0.10]{0.96} +82 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/82.pdf}} +\xrightarrow[0.19]{1.86} 27 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/27.pdf}} + -87 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/87.pdf}} +49 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/49.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(1, 9), (1, 10)] +[(1, 0), (1, 11)] \end{verbatim} product bonds broken:\begin{verbatim} [(0, 0), (0, 13)] @@ -5551,22 +5583,22 @@ 34 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/34.pdf}} + -66 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/66.pdf}} -\xrightarrow[0.17]{1.70} -42 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/42.pdf}} +80 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/80.pdf}} +\xrightarrow[0.32]{3.18} +25 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/25.pdf}} + -94 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/94.pdf}} +50 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/50.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(0, 1), (0, 6)] +[(1, 0), (1, 11)] \end{verbatim} product bonds broken:\begin{verbatim} -[(0, 12), (0, 13)] +[(0, 0), (0, 13)] \end{verbatim} @@ -5583,22 +5615,22 @@ 34 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/34.pdf}} + -67 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/67.pdf}} -\xrightarrow[0.03]{0.30} -42 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/42.pdf}} +80 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/80.pdf}} +\xrightarrow[0.20]{2.00} +27 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/27.pdf}} + -95 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/95.pdf}} +48 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/48.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(0, 1), (0, 6)] +[(1, 0), (1, 11)] \end{verbatim} product bonds broken:\begin{verbatim} -[(0, 9), (0, 25)] +[(0, 0), (0, 13)] \end{verbatim} @@ -5612,25 +5644,25 @@ Terminal.KEEP \end{verbatim} $$ -17 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/17.pdf}} +25 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/25.pdf}} + -81 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/81.pdf}} -\xrightarrow[0.07]{0.70} -28 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/28.pdf}} +29 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/29.pdf}} +\xrightarrow[0.10]{1.03} +32 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/32.pdf}} + -48 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/48.pdf}} +79 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/79.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(1, 0), (1, 11)] +[(0, 0), (0, 13)] \end{verbatim} product bonds broken:\begin{verbatim} -[(0, 2), (0, 3)] +[(1, 10), (1, 34)] \end{verbatim} @@ -5644,25 +5676,25 @@ Terminal.KEEP \end{verbatim} $$ -18 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/18.pdf}} +25 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/25.pdf}} + -82 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/82.pdf}} -\xrightarrow[0.08]{0.84} -28 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/28.pdf}} +29 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/29.pdf}} +\xrightarrow[0.18]{1.77} +34 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/34.pdf}} + -50 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/50.pdf}} +77 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/77.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(1, 0), (1, 11)] +[(0, 0), (0, 13)] \end{verbatim} product bonds broken:\begin{verbatim} -[(0, 2), (0, 3)] +[(1, 10), (1, 34)] \end{verbatim} @@ -5676,25 +5708,25 @@ Terminal.KEEP \end{verbatim} $$ -18 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/18.pdf}} +33 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/33.pdf}} + -82 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/82.pdf}} -\xrightarrow[0.37]{3.75} -30 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/30.pdf}} +79 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/79.pdf}} +\xrightarrow[0.28]{2.82} +27 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/27.pdf}} + -48 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/48.pdf}} +28 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/28.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(1, 0), (1, 11)] +[(1, 10), (1, 34)] \end{verbatim} product bonds broken:\begin{verbatim} -[(0, 2), (0, 3)] +[(0, 0), (0, 13)] \end{verbatim} @@ -5708,25 +5740,25 @@ Terminal.KEEP \end{verbatim} $$ -34 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/34.pdf}} +17 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/17.pdf}} + -67 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/67.pdf}} -\xrightarrow[0.07]{0.75} -93 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/93.pdf}} +81 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/81.pdf}} +\xrightarrow[0.07]{0.70} +28 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/28.pdf}} + -95 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/95.pdf}} +48 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/48.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(0, 1), (0, 6)] +[(1, 0), (1, 11)] \end{verbatim} product bonds broken:\begin{verbatim} -[(0, 12), (0, 25)] +[(0, 2), (0, 3)] \end{verbatim} @@ -5740,25 +5772,25 @@ Terminal.KEEP \end{verbatim} $$ -28 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/28.pdf}} +18 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/18.pdf}} + +82 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/82.pdf}} +\xrightarrow[0.08]{0.84} 28 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/28.pdf}} -\xrightarrow[0.04]{0.40} -18 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/18.pdf}} + -78 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/78.pdf}} +50 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/50.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(1, 2), (1, 3)] +[(1, 0), (1, 11)] \end{verbatim} product bonds broken:\begin{verbatim} -[(1, 10), (1, 34)] +[(0, 2), (0, 3)] \end{verbatim} @@ -5772,25 +5804,25 @@ Terminal.KEEP \end{verbatim} $$ -28 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/28.pdf}} -+ -29 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/29.pdf}} -\xrightarrow[0.19]{1.86} 18 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/18.pdf}} + -79 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/79.pdf}} +82 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/82.pdf}} +\xrightarrow[0.37]{3.75} +30 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/30.pdf}} ++ +48 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/48.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(1, 2), (1, 3)] +[(1, 0), (1, 11)] \end{verbatim} product bonds broken:\begin{verbatim} -[(1, 10), (1, 34)] +[(0, 2), (0, 3)] \end{verbatim} @@ -5868,25 +5900,25 @@ Terminal.KEEP \end{verbatim} $$ +29 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/29.pdf}} ++ +49 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/49.pdf}} +\xrightarrow[0.28]{2.81} 18 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/18.pdf}} + -76 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/76.pdf}} -\xrightarrow[0.04]{0.43} -30 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/30.pdf}} -+ -46 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/46.pdf}} +82 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/82.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(1, 0), (1, 1)] +[(0, 2), (0, 3)] \end{verbatim} product bonds broken:\begin{verbatim} -[(0, 2), (0, 3)] +[(1, 0), (1, 11)] \end{verbatim} @@ -5900,25 +5932,25 @@ Terminal.KEEP \end{verbatim} $$ -29 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/29.pdf}} +28 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/28.pdf}} + -49 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/49.pdf}} -\xrightarrow[0.28]{2.81} +28 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/28.pdf}} +\xrightarrow[0.04]{0.40} 18 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/18.pdf}} + -82 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/82.pdf}} +78 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/78.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(0, 2), (0, 3)] +[(1, 2), (1, 3)] \end{verbatim} product bonds broken:\begin{verbatim} -[(1, 0), (1, 11)] +[(1, 10), (1, 34)] \end{verbatim} @@ -5932,25 +5964,25 @@ Terminal.KEEP \end{verbatim} $$ -19 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/19.pdf}} +28 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/28.pdf}} + -75 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/75.pdf}} -\xrightarrow[0.40]{3.96} -30 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/30.pdf}} +29 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/29.pdf}} +\xrightarrow[0.19]{1.86} +18 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/18.pdf}} + -46 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/46.pdf}} +79 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/79.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(1, 0), (1, 1)] +[(1, 2), (1, 3)] \end{verbatim} product bonds broken:\begin{verbatim} -[(0, 2), (0, 3)] +[(1, 10), (1, 34)] \end{verbatim} @@ -5964,25 +5996,25 @@ Terminal.KEEP \end{verbatim} $$ -28 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/28.pdf}} +18 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/18.pdf}} ++ +76 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/76.pdf}} +\xrightarrow[0.04]{0.43} +30 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/30.pdf}} + 46 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/46.pdf}} -\xrightarrow[0.18]{1.83} -17 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/17.pdf}} -+ -75 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/75.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(0, 2), (0, 3)] +[(1, 0), (1, 1)] \end{verbatim} product bonds broken:\begin{verbatim} -[(1, 0), (1, 1)] +[(0, 2), (0, 3)] \end{verbatim} @@ -5996,25 +6028,25 @@ Terminal.KEEP \end{verbatim} $$ -40 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/40.pdf}} +19 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/19.pdf}} + -96 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/96.pdf}} -\xrightarrow[0.03]{0.31} -32 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/32.pdf}} +75 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/75.pdf}} +\xrightarrow[0.40]{3.96} +30 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/30.pdf}} + -70 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/70.pdf}} +46 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/46.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(0, 12), (0, 13)] +[(1, 0), (1, 1)] \end{verbatim} product bonds broken:\begin{verbatim} -[(0, 1), (0, 6)] +[(0, 2), (0, 3)] \end{verbatim} @@ -6033,12 +6065,12 @@ + 46 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/46.pdf}} -\xrightarrow[0.30]{3.04} -18 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/18.pdf}} +\xrightarrow[0.18]{1.83} +17 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/17.pdf}} + -74 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/74.pdf}} +75 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/75.pdf}} $$ @@ -6060,17 +6092,17 @@ Terminal.KEEP \end{verbatim} $$ -29 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/29.pdf}} +28 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/28.pdf}} + -54 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/54.pdf}} -\xrightarrow[0.37]{3.70} +46 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/46.pdf}} +\xrightarrow[0.30]{3.04} 18 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/18.pdf}} + -73 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/73.pdf}} +74 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/74.pdf}} $$ @@ -6078,7 +6110,7 @@ [(0, 2), (0, 3)] \end{verbatim} product bonds broken:\begin{verbatim} -[(1, 3), (1, 10)] +[(1, 0), (1, 1)] \end{verbatim} @@ -6124,25 +6156,25 @@ Terminal.KEEP \end{verbatim} $$ -41 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/41.pdf}} +29 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/29.pdf}} + -95 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/95.pdf}} -\xrightarrow[0.01]{0.11} -33 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/33.pdf}} +47 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/47.pdf}} +\xrightarrow[0.39]{3.90} +18 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/18.pdf}} + -68 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/68.pdf}} +76 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/76.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(0, 12), (0, 13)] +[(0, 2), (0, 3)] \end{verbatim} product bonds broken:\begin{verbatim} -[(0, 1), (0, 6)] +[(1, 0), (1, 1)] \end{verbatim} @@ -6159,14 +6191,14 @@ 29 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/29.pdf}} + -47 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/47.pdf}} -\xrightarrow[0.39]{3.90} +54 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/54.pdf}} +\xrightarrow[0.37]{3.70} 18 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/18.pdf}} + -76 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/76.pdf}} +73 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/73.pdf}} $$ @@ -6174,7 +6206,7 @@ [(0, 2), (0, 3)] \end{verbatim} product bonds broken:\begin{verbatim} -[(1, 0), (1, 1)] +[(1, 3), (1, 10)] \end{verbatim} @@ -6220,40 +6252,8 @@ Terminal.KEEP \end{verbatim} $$ -42 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/42.pdf}} -+ -95 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/95.pdf}} -\xrightarrow[0.04]{0.38} -34 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/34.pdf}} -+ -68 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/68.pdf}} -$$ - - -reactant bonds broken:\begin{verbatim} -[(0, 12), (0, 13)] -\end{verbatim} -product bonds broken:\begin{verbatim} -[(0, 1), (0, 6)] -\end{verbatim} - - - - -\vspace{1cm} -\begin{verbatim} -more than one reactant -fragment matching found -free_energy dG is above threshold=0.0 -Terminal.KEEP -\end{verbatim} -$$ -18 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/18.pdf}} +18 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/18.pdf}} + 69 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/69.pdf}} @@ -6316,22 +6316,22 @@ Terminal.KEEP \end{verbatim} $$ -18 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/18.pdf}} +19 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/19.pdf}} + -45 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/45.pdf}} -\xrightarrow[0.02]{0.17} +67 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/67.pdf}} +\xrightarrow[0.45]{4.48} 30 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/30.pdf}} + -85 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/85.pdf}} +87 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/87.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(1, 0), (1, 1)] +[(1, 12), (1, 13)] \end{verbatim} product bonds broken:\begin{verbatim} [(0, 2), (0, 3)] @@ -6351,19 +6351,19 @@ 19 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/19.pdf}} + -44 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/44.pdf}} -\xrightarrow[0.55]{5.55} +68 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/68.pdf}} +\xrightarrow[0.38]{3.79} 30 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/30.pdf}} + -85 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/85.pdf}} +87 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/87.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(1, 0), (1, 1)] +[(1, 9), (1, 10)] \end{verbatim} product bonds broken:\begin{verbatim} [(0, 2), (0, 3)] @@ -6380,25 +6380,25 @@ Terminal.KEEP \end{verbatim} $$ -19 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/19.pdf}} -+ -67 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/67.pdf}} -\xrightarrow[0.45]{4.48} -30 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/30.pdf}} +28 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/28.pdf}} + 87 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/87.pdf}} +\xrightarrow[0.13]{1.31} +17 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/17.pdf}} ++ +67 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/67.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(1, 12), (1, 13)] +[(0, 2), (0, 3)] \end{verbatim} product bonds broken:\begin{verbatim} -[(0, 2), (0, 3)] +[(1, 12), (1, 13)] \end{verbatim} @@ -6415,14 +6415,14 @@ 28 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/28.pdf}} + -85 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/85.pdf}} -\xrightarrow[0.02]{0.24} +87 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/87.pdf}} +\xrightarrow[0.20]{2.00} 17 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/17.pdf}} + -44 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/44.pdf}} +68 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/68.pdf}} $$ @@ -6430,7 +6430,7 @@ [(0, 2), (0, 3)] \end{verbatim} product bonds broken:\begin{verbatim} -[(1, 0), (1, 1)] +[(1, 9), (1, 10)] \end{verbatim} @@ -6447,14 +6447,14 @@ 28 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/28.pdf}} + -85 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/85.pdf}} -\xrightarrow[0.18]{1.78} +87 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/87.pdf}} +\xrightarrow[0.25]{2.46} 18 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/18.pdf}} + -43 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/43.pdf}} +65 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/65.pdf}} $$ @@ -6462,7 +6462,7 @@ [(0, 2), (0, 3)] \end{verbatim} product bonds broken:\begin{verbatim} -[(1, 0), (1, 1)] +[(1, 12), (1, 13)] \end{verbatim} @@ -6476,17 +6476,17 @@ Terminal.KEEP \end{verbatim} $$ -29 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/29.pdf}} +28 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/28.pdf}} + -86 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/86.pdf}} -\xrightarrow[0.52]{5.17} +87 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/87.pdf}} +\xrightarrow[0.16]{1.61} 18 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/18.pdf}} + -45 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/45.pdf}} +66 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/66.pdf}} $$ @@ -6494,7 +6494,7 @@ [(0, 2), (0, 3)] \end{verbatim} product bonds broken:\begin{verbatim} -[(1, 0), (1, 1)] +[(1, 9), (1, 10)] \end{verbatim} @@ -6508,17 +6508,17 @@ Terminal.KEEP \end{verbatim} $$ -30 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/30.pdf}} +28 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/28.pdf}} + -86 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/86.pdf}} -\xrightarrow[0.07]{0.70} -19 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/19.pdf}} +88 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/88.pdf}} +\xrightarrow[0.01]{0.08} +18 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/18.pdf}} + -45 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/45.pdf}} +68 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/68.pdf}} $$ @@ -6526,7 +6526,7 @@ [(0, 2), (0, 3)] \end{verbatim} product bonds broken:\begin{verbatim} -[(1, 0), (1, 1)] +[(1, 9), (1, 10)] \end{verbatim} @@ -6540,25 +6540,25 @@ Terminal.KEEP \end{verbatim} $$ -19 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/19.pdf}} +28 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/28.pdf}} + -68 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/68.pdf}} -\xrightarrow[0.38]{3.79} -30 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/30.pdf}} +89 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/89.pdf}} +\xrightarrow[0.05]{0.52} +18 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/18.pdf}} + -87 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/87.pdf}} +70 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/70.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(1, 9), (1, 10)] +[(0, 2), (0, 3)] \end{verbatim} product bonds broken:\begin{verbatim} -[(0, 2), (0, 3)] +[(1, 9), (1, 10)] \end{verbatim} @@ -6572,25 +6572,25 @@ Terminal.KEEP \end{verbatim} $$ -19 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/19.pdf}} +29 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/29.pdf}} + -41 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/41.pdf}} -\xrightarrow[0.50]{4.98} -30 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/30.pdf}} +87 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/87.pdf}} +\xrightarrow[0.07]{0.67} +18 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/18.pdf}} + -65 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/65.pdf}} +68 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/68.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(1, 9), (1, 25)] +[(0, 2), (0, 3)] \end{verbatim} product bonds broken:\begin{verbatim} -[(0, 2), (0, 3)] +[(1, 9), (1, 10)] \end{verbatim} @@ -6604,25 +6604,25 @@ Terminal.KEEP \end{verbatim} $$ -19 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/19.pdf}} +29 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/29.pdf}} + -41 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/41.pdf}} -\xrightarrow[0.41]{4.13} -30 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/30.pdf}} +88 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/88.pdf}} +\xrightarrow[0.31]{3.11} +18 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/18.pdf}} + -66 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/66.pdf}} +69 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/69.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(1, 12), (1, 13)] +[(0, 2), (0, 3)] \end{verbatim} product bonds broken:\begin{verbatim} -[(0, 2), (0, 3)] +[(1, 12), (1, 13)] \end{verbatim} @@ -6636,17 +6636,17 @@ Terminal.KEEP \end{verbatim} $$ -28 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/28.pdf}} +29 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/29.pdf}} + -87 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/87.pdf}} -\xrightarrow[0.13]{1.31} -17 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/17.pdf}} +88 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/88.pdf}} +\xrightarrow[0.43]{4.27} +18 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/18.pdf}} + -67 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/67.pdf}} +70 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/70.pdf}} $$ @@ -6654,7 +6654,7 @@ [(0, 2), (0, 3)] \end{verbatim} product bonds broken:\begin{verbatim} -[(1, 12), (1, 13)] +[(1, 9), (1, 10)] \end{verbatim} @@ -6668,25 +6668,25 @@ Terminal.KEEP \end{verbatim} $$ -19 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/19.pdf}} -+ -28 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/28.pdf}} -\xrightarrow[0.58]{5.79} -17 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/17.pdf}} +18 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/18.pdf}} + +45 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/45.pdf}} +\xrightarrow[0.02]{0.17} 30 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/30.pdf}} ++ +85 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/85.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(1, 2), (1, 3)] +[(1, 0), (1, 1)] \end{verbatim} product bonds broken:\begin{verbatim} -[(1, 2), (1, 3)] +[(0, 2), (0, 3)] \end{verbatim} @@ -6700,25 +6700,25 @@ Terminal.KEEP \end{verbatim} $$ -28 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/28.pdf}} -+ -87 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/87.pdf}} -\xrightarrow[0.20]{2.00} -17 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/17.pdf}} +19 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/19.pdf}} + -68 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/68.pdf}} +44 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/44.pdf}} +\xrightarrow[0.55]{5.55} +30 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/30.pdf}} ++ +85 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/85.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(0, 2), (0, 3)] +[(1, 0), (1, 1)] \end{verbatim} product bonds broken:\begin{verbatim} -[(1, 9), (1, 10)] +[(0, 2), (0, 3)] \end{verbatim} @@ -6735,14 +6735,14 @@ 28 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/28.pdf}} + -65 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/65.pdf}} -\xrightarrow[0.08]{0.81} +85 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/85.pdf}} +\xrightarrow[0.02]{0.24} 17 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/17.pdf}} + -41 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/41.pdf}} +44 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/44.pdf}} $$ @@ -6750,7 +6750,7 @@ [(0, 2), (0, 3)] \end{verbatim} product bonds broken:\begin{verbatim} -[(1, 9), (1, 25)] +[(1, 0), (1, 1)] \end{verbatim} @@ -6764,25 +6764,25 @@ Terminal.KEEP \end{verbatim} $$ -17 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/17.pdf}} -+ -26 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/26.pdf}} -\xrightarrow[0.13]{1.27} 28 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/28.pdf}} + -32 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/32.pdf}} +85 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/85.pdf}} +\xrightarrow[0.18]{1.78} +18 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/18.pdf}} ++ +43 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/43.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(1, 0), (1, 13)] +[(0, 2), (0, 3)] \end{verbatim} product bonds broken:\begin{verbatim} -[(0, 2), (0, 3)] +[(1, 0), (1, 1)] \end{verbatim} @@ -6796,17 +6796,17 @@ Terminal.KEEP \end{verbatim} $$ -28 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/28.pdf}} +29 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/29.pdf}} + -87 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/87.pdf}} -\xrightarrow[0.25]{2.46} +86 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/86.pdf}} +\xrightarrow[0.52]{5.17} 18 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/18.pdf}} + -65 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/65.pdf}} +45 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/45.pdf}} $$ @@ -6814,7 +6814,7 @@ [(0, 2), (0, 3)] \end{verbatim} product bonds broken:\begin{verbatim} -[(1, 12), (1, 13)] +[(1, 0), (1, 1)] \end{verbatim} @@ -6828,25 +6828,25 @@ Terminal.KEEP \end{verbatim} $$ -18 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/18.pdf}} -+ -27 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/27.pdf}} -\xrightarrow[0.33]{3.26} 30 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/30.pdf}} + -32 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/32.pdf}} +86 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/86.pdf}} +\xrightarrow[0.07]{0.70} +19 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/19.pdf}} ++ +45 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/45.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(1, 0), (1, 13)] +[(0, 2), (0, 3)] \end{verbatim} product bonds broken:\begin{verbatim} -[(0, 2), (0, 3)] +[(1, 0), (1, 1)] \end{verbatim} @@ -6860,25 +6860,25 @@ Terminal.KEEP \end{verbatim} $$ -28 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/28.pdf}} +19 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/19.pdf}} ++ +41 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/41.pdf}} +\xrightarrow[0.50]{4.98} +30 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/30.pdf}} + 65 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/65.pdf}} -\xrightarrow[0.06]{0.62} -18 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/18.pdf}} -+ -40 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/40.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(0, 2), (0, 3)] +[(1, 9), (1, 25)] \end{verbatim} product bonds broken:\begin{verbatim} -[(1, 9), (1, 25)] +[(0, 2), (0, 3)] \end{verbatim} @@ -6895,19 +6895,19 @@ 19 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/19.pdf}} + -26 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/26.pdf}} -\xrightarrow[0.71]{7.06} +41 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/41.pdf}} +\xrightarrow[0.41]{4.13} 30 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/30.pdf}} + -32 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/32.pdf}} +66 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/66.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(1, 0), (1, 13)] +[(1, 12), (1, 13)] \end{verbatim} product bonds broken:\begin{verbatim} [(0, 2), (0, 3)] @@ -6927,14 +6927,14 @@ 28 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/28.pdf}} + -87 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/87.pdf}} -\xrightarrow[0.16]{1.61} -18 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/18.pdf}} +65 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/65.pdf}} +\xrightarrow[0.08]{0.81} +17 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/17.pdf}} + -66 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/66.pdf}} +41 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/41.pdf}} $$ @@ -6942,7 +6942,7 @@ [(0, 2), (0, 3)] \end{verbatim} product bonds broken:\begin{verbatim} -[(1, 9), (1, 10)] +[(1, 9), (1, 25)] \end{verbatim} @@ -6959,14 +6959,14 @@ 28 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/28.pdf}} + -88 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/88.pdf}} -\xrightarrow[0.01]{0.08} +65 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/65.pdf}} +\xrightarrow[0.06]{0.62} 18 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/18.pdf}} + -68 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/68.pdf}} +40 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/40.pdf}} $$ @@ -6974,7 +6974,7 @@ [(0, 2), (0, 3)] \end{verbatim} product bonds broken:\begin{verbatim} -[(1, 9), (1, 10)] +[(1, 9), (1, 25)] \end{verbatim} @@ -7023,14 +7023,14 @@ 28 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/28.pdf}} + -32 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/32.pdf}} -\xrightarrow[0.08]{0.83} +66 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/66.pdf}} +\xrightarrow[0.15]{1.47} 18 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/18.pdf}} + -25 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/25.pdf}} +40 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/40.pdf}} $$ @@ -7038,7 +7038,7 @@ [(0, 2), (0, 3)] \end{verbatim} product bonds broken:\begin{verbatim} -[(1, 0), (1, 13)] +[(1, 12), (1, 13)] \end{verbatim} @@ -7055,14 +7055,14 @@ 28 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/28.pdf}} + -34 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/34.pdf}} -\xrightarrow[0.26]{2.57} +67 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/67.pdf}} +\xrightarrow[0.20]{1.97} 18 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/18.pdf}} + -27 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/27.pdf}} +41 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/41.pdf}} $$ @@ -7070,7 +7070,7 @@ [(0, 2), (0, 3)] \end{verbatim} product bonds broken:\begin{verbatim} -[(1, 0), (1, 13)] +[(1, 9), (1, 25)] \end{verbatim} @@ -7087,14 +7087,14 @@ 28 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/28.pdf}} + -89 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/89.pdf}} -\xrightarrow[0.05]{0.52} +68 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/68.pdf}} +\xrightarrow[0.13]{1.28} 18 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/18.pdf}} + -70 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/70.pdf}} +41 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/41.pdf}} $$ @@ -7102,7 +7102,7 @@ [(0, 2), (0, 3)] \end{verbatim} product bonds broken:\begin{verbatim} -[(1, 9), (1, 10)] +[(1, 12), (1, 13)] \end{verbatim} @@ -7119,14 +7119,14 @@ 28 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/28.pdf}} + -66 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/66.pdf}} -\xrightarrow[0.15]{1.47} +69 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/69.pdf}} +\xrightarrow[0.01]{0.10} 18 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/18.pdf}} + -40 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/40.pdf}} +42 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/42.pdf}} $$ @@ -7134,7 +7134,7 @@ [(0, 2), (0, 3)] \end{verbatim} product bonds broken:\begin{verbatim} -[(1, 12), (1, 13)] +[(1, 9), (1, 25)] \end{verbatim} @@ -7148,17 +7148,17 @@ Terminal.KEEP \end{verbatim} $$ -29 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/29.pdf}} +28 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/28.pdf}} + -33 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/33.pdf}} -\xrightarrow[0.47]{4.68} +69 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/69.pdf}} +\xrightarrow[0.05]{0.54} 18 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/18.pdf}} + -27 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/27.pdf}} +93 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/93.pdf}} $$ @@ -7166,7 +7166,7 @@ [(0, 2), (0, 3)] \end{verbatim} product bonds broken:\begin{verbatim} -[(1, 0), (1, 13)] +[(1, 12), (1, 25)] \end{verbatim} @@ -7180,25 +7180,25 @@ Terminal.KEEP \end{verbatim} $$ -29 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/29.pdf}} +28 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/28.pdf}} + -87 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/87.pdf}} -\xrightarrow[0.07]{0.67} -18 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/18.pdf}} +69 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/69.pdf}} +\xrightarrow[0.10]{1.04} +78 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/78.pdf}} + -68 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/68.pdf}} +89 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/89.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(0, 2), (0, 3)] +[(1, 12), (1, 13)] \end{verbatim} product bonds broken:\begin{verbatim} -[(1, 9), (1, 10)] +[(0, 10), (0, 34)] \end{verbatim} @@ -7215,22 +7215,22 @@ 29 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/29.pdf}} + -33 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/33.pdf}} -\xrightarrow[0.05]{0.46} -79 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/79.pdf}} +65 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/65.pdf}} +\xrightarrow[0.27]{2.65} +17 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/17.pdf}} + -95 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/95.pdf}} +42 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/42.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(1, 1), (1, 6)] +[(0, 2), (0, 3)] \end{verbatim} product bonds broken:\begin{verbatim} -[(0, 10), (0, 34)] +[(1, 9), (1, 25)] \end{verbatim} @@ -7244,17 +7244,17 @@ Terminal.KEEP \end{verbatim} $$ -28 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/28.pdf}} -+ -67 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/67.pdf}} -\xrightarrow[0.20]{1.97} -18 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/18.pdf}} +29 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/29.pdf}} + -41 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/41.pdf}} +65 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/65.pdf}} +\xrightarrow[0.31]{3.10} +17 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/17.pdf}} ++ +93 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/93.pdf}} $$ @@ -7262,7 +7262,7 @@ [(0, 2), (0, 3)] \end{verbatim} product bonds broken:\begin{verbatim} -[(1, 9), (1, 25)] +[(1, 12), (1, 25)] \end{verbatim} @@ -7276,25 +7276,25 @@ Terminal.KEEP \end{verbatim} $$ -30 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/30.pdf}} +29 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/29.pdf}} + -33 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/33.pdf}} -\xrightarrow[0.02]{0.22} -19 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/19.pdf}} +65 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/65.pdf}} +\xrightarrow[0.39]{3.92} +77 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/77.pdf}} + -27 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/27.pdf}} +89 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/89.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(0, 2), (0, 3)] +[(1, 12), (1, 13)] \end{verbatim} product bonds broken:\begin{verbatim} -[(1, 0), (1, 13)] +[(0, 10), (0, 34)] \end{verbatim} @@ -7311,14 +7311,14 @@ 29 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/29.pdf}} + -88 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/88.pdf}} -\xrightarrow[0.31]{3.11} -18 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/18.pdf}} +66 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/66.pdf}} +\xrightarrow[0.35]{3.50} +17 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/17.pdf}} + -69 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/69.pdf}} +42 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/42.pdf}} $$ @@ -7343,14 +7343,14 @@ 29 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/29.pdf}} + -88 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/88.pdf}} -\xrightarrow[0.43]{4.27} +66 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/66.pdf}} +\xrightarrow[0.03]{0.33} 18 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/18.pdf}} + -70 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/70.pdf}} +41 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/41.pdf}} $$ @@ -7358,7 +7358,7 @@ [(0, 2), (0, 3)] \end{verbatim} product bonds broken:\begin{verbatim} -[(1, 9), (1, 10)] +[(1, 12), (1, 13)] \end{verbatim} @@ -7372,25 +7372,57 @@ Terminal.KEEP \end{verbatim} $$ -78 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/78.pdf}} +29 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/29.pdf}} + -96 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/96.pdf}} -\xrightarrow[0.45]{4.53} -30 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/30.pdf}} +66 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/66.pdf}} +\xrightarrow[0.48]{4.77} +77 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/77.pdf}} + -32 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/32.pdf}} +89 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/89.pdf}} $$ reactant bonds broken:\begin{verbatim} +[(1, 9), (1, 10)] +\end{verbatim} +product bonds broken:\begin{verbatim} [(0, 10), (0, 34)] \end{verbatim} + + + + +\vspace{1cm} +\begin{verbatim} +more than one reactant +fragment matching found +free_energy dG is above threshold=0.0 +Terminal.KEEP +\end{verbatim} +$$ +29 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/29.pdf}} ++ +66 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/66.pdf}} +\xrightarrow[0.02]{0.25} +79 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/79.pdf}} ++ +87 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/87.pdf}} +$$ + + +reactant bonds broken:\begin{verbatim} +[(1, 9), (1, 10)] +\end{verbatim} product bonds broken:\begin{verbatim} -[(1, 1), (1, 6)] +[(0, 10), (0, 34)] \end{verbatim} @@ -7404,17 +7436,17 @@ Terminal.KEEP \end{verbatim} $$ -28 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/28.pdf}} +29 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/29.pdf}} + -68 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/68.pdf}} -\xrightarrow[0.13]{1.28} +67 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/67.pdf}} +\xrightarrow[0.38]{3.80} 18 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/18.pdf}} + -41 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/41.pdf}} +42 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/42.pdf}} $$ @@ -7422,7 +7454,7 @@ [(0, 2), (0, 3)] \end{verbatim} product bonds broken:\begin{verbatim} -[(1, 12), (1, 13)] +[(1, 9), (1, 25)] \end{verbatim} @@ -7436,25 +7468,25 @@ Terminal.KEEP \end{verbatim} $$ -79 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/79.pdf}} +29 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/29.pdf}} + -95 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/95.pdf}} -\xrightarrow[0.16]{1.64} -28 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/28.pdf}} +67 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/67.pdf}} +\xrightarrow[0.42]{4.25} +18 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/18.pdf}} + -34 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/34.pdf}} +93 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/93.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(0, 10), (0, 34)] +[(0, 2), (0, 3)] \end{verbatim} product bonds broken:\begin{verbatim} -[(1, 1), (1, 6)] +[(1, 12), (1, 25)] \end{verbatim} @@ -7468,12 +7500,12 @@ Terminal.KEEP \end{verbatim} $$ -28 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/28.pdf}} +29 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/29.pdf}} + -69 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/69.pdf}} -\xrightarrow[0.01]{0.10} +68 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/68.pdf}} +\xrightarrow[0.31]{3.12} 18 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/18.pdf}} + @@ -7486,7 +7518,7 @@ [(0, 2), (0, 3)] \end{verbatim} product bonds broken:\begin{verbatim} -[(1, 9), (1, 25)] +[(1, 12), (1, 13)] \end{verbatim} @@ -7500,25 +7532,25 @@ Terminal.KEEP \end{verbatim} $$ -28 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/28.pdf}} +79 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/79.pdf}} + -69 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/69.pdf}} -\xrightarrow[0.05]{0.54} -18 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/18.pdf}} +87 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/87.pdf}} +\xrightarrow[0.06]{0.60} +29 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/29.pdf}} + -93 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/93.pdf}} +65 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/65.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(0, 2), (0, 3)] +[(0, 10), (0, 34)] \end{verbatim} product bonds broken:\begin{verbatim} -[(1, 12), (1, 25)] +[(1, 12), (1, 13)] \end{verbatim} @@ -7532,25 +7564,25 @@ Terminal.KEEP \end{verbatim} $$ -15 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/15.pdf}} +79 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/79.pdf}} + -95 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/95.pdf}} -\xrightarrow[0.01]{0.12} -34 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/34.pdf}} +88 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/88.pdf}} +\xrightarrow[0.12]{1.24} +28 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/28.pdf}} + -72 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/72.pdf}} +69 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/69.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(0, 1), (0, 32)] +[(0, 10), (0, 34)] \end{verbatim} product bonds broken:\begin{verbatim} -[(0, 1), (0, 6)] +[(1, 12), (1, 13)] \end{verbatim} @@ -7564,25 +7596,25 @@ Terminal.KEEP \end{verbatim} $$ -14 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/14.pdf}} +79 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/79.pdf}} + -87 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/87.pdf}} -\xrightarrow[0.07]{0.68} -68 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/68.pdf}} +88 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/88.pdf}} +\xrightarrow[0.24]{2.41} +28 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/28.pdf}} + -71 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/71.pdf}} +70 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/70.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(0, 1), (0, 32)] +[(0, 10), (0, 34)] \end{verbatim} product bonds broken:\begin{verbatim} -[(0, 9), (0, 10)] +[(1, 9), (1, 10)] \end{verbatim} @@ -7596,25 +7628,25 @@ Terminal.KEEP \end{verbatim} $$ +19 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/19.pdf}} ++ 28 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/28.pdf}} +\xrightarrow[0.58]{5.79} +17 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/17.pdf}} + -69 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/69.pdf}} -\xrightarrow[0.10]{1.04} -78 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/78.pdf}} -+ -89 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/89.pdf}} +30 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/30.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(1, 12), (1, 13)] +[(1, 2), (1, 3)] \end{verbatim} product bonds broken:\begin{verbatim} -[(0, 10), (0, 34)] +[(1, 2), (1, 3)] \end{verbatim} @@ -7628,25 +7660,25 @@ Terminal.KEEP \end{verbatim} $$ -32 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/32.pdf}} +17 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/17.pdf}} + -73 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/73.pdf}} -\xrightarrow[0.02]{0.25} -13 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/13.pdf}} +26 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/26.pdf}} +\xrightarrow[0.13]{1.27} +28 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/28.pdf}} + -96 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/96.pdf}} +32 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/32.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(0, 1), (0, 6)] +[(1, 0), (1, 13)] \end{verbatim} product bonds broken:\begin{verbatim} -[(0, 1), (0, 32)] +[(0, 2), (0, 3)] \end{verbatim} @@ -7660,25 +7692,25 @@ Terminal.KEEP \end{verbatim} $$ -33 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/33.pdf}} +18 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/18.pdf}} + -71 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/71.pdf}} -\xrightarrow[0.16]{1.62} -14 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/14.pdf}} +27 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/27.pdf}} +\xrightarrow[0.33]{3.26} +30 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/30.pdf}} + -94 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/94.pdf}} +32 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/32.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(0, 1), (0, 6)] +[(1, 0), (1, 13)] \end{verbatim} product bonds broken:\begin{verbatim} -[(0, 1), (0, 32)] +[(0, 2), (0, 3)] \end{verbatim} @@ -7692,25 +7724,25 @@ Terminal.KEEP \end{verbatim} $$ -29 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/29.pdf}} +19 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/19.pdf}} + -65 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/65.pdf}} -\xrightarrow[0.27]{2.65} -17 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/17.pdf}} +26 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/26.pdf}} +\xrightarrow[0.71]{7.06} +30 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/30.pdf}} + -42 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/42.pdf}} +32 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/32.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(0, 2), (0, 3)] +[(1, 0), (1, 13)] \end{verbatim} product bonds broken:\begin{verbatim} -[(1, 9), (1, 25)] +[(0, 2), (0, 3)] \end{verbatim} @@ -7724,25 +7756,25 @@ Terminal.KEEP \end{verbatim} $$ -33 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/33.pdf}} +28 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/28.pdf}} + -72 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/72.pdf}} -\xrightarrow[0.12]{1.22} -14 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/14.pdf}} +32 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/32.pdf}} +\xrightarrow[0.08]{0.83} +18 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/18.pdf}} + -95 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/95.pdf}} +25 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/25.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(0, 1), (0, 6)] +[(0, 2), (0, 3)] \end{verbatim} product bonds broken:\begin{verbatim} -[(0, 1), (0, 32)] +[(1, 0), (1, 13)] \end{verbatim} @@ -7756,17 +7788,17 @@ Terminal.KEEP \end{verbatim} $$ -29 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/29.pdf}} +28 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/28.pdf}} + -65 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/65.pdf}} -\xrightarrow[0.31]{3.10} -17 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/17.pdf}} +34 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/34.pdf}} +\xrightarrow[0.26]{2.57} +18 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/18.pdf}} + -93 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/93.pdf}} +27 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/27.pdf}} $$ @@ -7774,7 +7806,7 @@ [(0, 2), (0, 3)] \end{verbatim} product bonds broken:\begin{verbatim} -[(1, 12), (1, 25)] +[(1, 0), (1, 13)] \end{verbatim} @@ -7788,25 +7820,25 @@ Terminal.KEEP \end{verbatim} $$ +29 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/29.pdf}} ++ 33 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/33.pdf}} +\xrightarrow[0.47]{4.68} +18 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/18.pdf}} + -73 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/73.pdf}} -\xrightarrow[0.10]{0.98} 27 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/27.pdf}} -+ -54 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/54.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(1, 3), (1, 10)] +[(0, 2), (0, 3)] \end{verbatim} product bonds broken:\begin{verbatim} -[(0, 0), (0, 13)] +[(1, 0), (1, 13)] \end{verbatim} @@ -7820,25 +7852,25 @@ Terminal.KEEP \end{verbatim} $$ -15 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/15.pdf}} +29 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/29.pdf}} + -88 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/88.pdf}} -\xrightarrow[0.09]{0.89} -70 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/70.pdf}} +33 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/33.pdf}} +\xrightarrow[0.05]{0.46} +79 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/79.pdf}} + -72 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/72.pdf}} +95 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/95.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(0, 1), (0, 32)] +[(1, 1), (1, 6)] \end{verbatim} product bonds broken:\begin{verbatim} -[(0, 9), (0, 10)] +[(0, 10), (0, 34)] \end{verbatim} @@ -7852,25 +7884,25 @@ Terminal.KEEP \end{verbatim} $$ -29 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/29.pdf}} +30 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/30.pdf}} + -65 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/65.pdf}} -\xrightarrow[0.39]{3.92} -77 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/77.pdf}} +33 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/33.pdf}} +\xrightarrow[0.02]{0.22} +19 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/19.pdf}} + -89 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/89.pdf}} +27 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/27.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(1, 12), (1, 13)] +[(0, 2), (0, 3)] \end{verbatim} product bonds broken:\begin{verbatim} -[(0, 10), (0, 34)] +[(1, 0), (1, 13)] \end{verbatim} @@ -7884,25 +7916,25 @@ Terminal.KEEP \end{verbatim} $$ -29 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/29.pdf}} +78 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/78.pdf}} + -66 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/66.pdf}} -\xrightarrow[0.35]{3.50} -17 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/17.pdf}} +96 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/96.pdf}} +\xrightarrow[0.45]{4.53} +30 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/30.pdf}} + -42 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/42.pdf}} +32 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/32.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(0, 2), (0, 3)] +[(0, 10), (0, 34)] \end{verbatim} product bonds broken:\begin{verbatim} -[(1, 12), (1, 13)] +[(1, 1), (1, 6)] \end{verbatim} @@ -7916,25 +7948,25 @@ Terminal.KEEP \end{verbatim} $$ -34 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/34.pdf}} +79 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/79.pdf}} + -71 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/71.pdf}} -\xrightarrow[0.03]{0.28} -15 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/15.pdf}} +95 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/95.pdf}} +\xrightarrow[0.16]{1.64} +28 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/28.pdf}} + -94 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/94.pdf}} +34 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/34.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(0, 1), (0, 6)] +[(0, 10), (0, 34)] \end{verbatim} product bonds broken:\begin{verbatim} -[(0, 1), (0, 32)] +[(1, 1), (1, 6)] \end{verbatim} @@ -7951,11 +7983,11 @@ 15 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/15.pdf}} + -86 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/86.pdf}} -\xrightarrow[0.18]{1.79} -45 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/45.pdf}} +95 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/95.pdf}} +\xrightarrow[0.01]{0.12} +34 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/34.pdf}} + 72 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/72.pdf}} @@ -7966,7 +7998,7 @@ [(0, 1), (0, 32)] \end{verbatim} product bonds broken:\begin{verbatim} -[(0, 0), (0, 1)] +[(0, 1), (0, 6)] \end{verbatim} @@ -7980,25 +8012,25 @@ Terminal.KEEP \end{verbatim} $$ -42 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/42.pdf}} -+ -54 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/54.pdf}} -\xrightarrow[0.06]{0.58} -68 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/68.pdf}} +32 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/32.pdf}} + 73 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/73.pdf}} +\xrightarrow[0.02]{0.25} +13 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/13.pdf}} ++ +96 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/96.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(0, 12), (0, 13)] +[(0, 1), (0, 6)] \end{verbatim} product bonds broken:\begin{verbatim} -[(1, 3), (1, 10)] +[(0, 1), (0, 32)] \end{verbatim} @@ -8012,25 +8044,25 @@ Terminal.KEEP \end{verbatim} $$ -29 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/29.pdf}} +33 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/33.pdf}} + -66 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/66.pdf}} -\xrightarrow[0.03]{0.33} -18 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/18.pdf}} +71 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/71.pdf}} +\xrightarrow[0.16]{1.62} +14 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/14.pdf}} + -41 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/41.pdf}} +94 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/94.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(0, 2), (0, 3)] +[(0, 1), (0, 6)] \end{verbatim} product bonds broken:\begin{verbatim} -[(1, 12), (1, 13)] +[(0, 1), (0, 32)] \end{verbatim} @@ -8044,22 +8076,22 @@ Terminal.KEEP \end{verbatim} $$ -43 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/43.pdf}} +33 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/33.pdf}} + 72 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/72.pdf}} -\xrightarrow[0.08]{0.84} +\xrightarrow[0.12]{1.22} 14 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/14.pdf}} + -85 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/85.pdf}} +95 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/95.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(0, 0), (0, 1)] +[(0, 1), (0, 6)] \end{verbatim} product bonds broken:\begin{verbatim} [(0, 1), (0, 32)] @@ -8076,25 +8108,25 @@ Terminal.KEEP \end{verbatim} $$ -29 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/29.pdf}} +33 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/33.pdf}} + -66 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/66.pdf}} -\xrightarrow[0.48]{4.77} -77 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/77.pdf}} +73 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/73.pdf}} +\xrightarrow[0.10]{0.98} +27 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/27.pdf}} + -89 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/89.pdf}} +54 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/54.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(1, 9), (1, 10)] +[(1, 3), (1, 10)] \end{verbatim} product bonds broken:\begin{verbatim} -[(0, 10), (0, 34)] +[(0, 0), (0, 13)] \end{verbatim} @@ -8108,25 +8140,25 @@ Terminal.KEEP \end{verbatim} $$ -29 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/29.pdf}} +34 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/34.pdf}} + -66 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/66.pdf}} -\xrightarrow[0.02]{0.25} -79 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/79.pdf}} +71 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/71.pdf}} +\xrightarrow[0.03]{0.28} +15 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/15.pdf}} + -87 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/87.pdf}} +94 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/94.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(1, 9), (1, 10)] +[(0, 1), (0, 6)] \end{verbatim} product bonds broken:\begin{verbatim} -[(0, 10), (0, 34)] +[(0, 1), (0, 32)] \end{verbatim} @@ -8140,25 +8172,25 @@ Terminal.KEEP \end{verbatim} $$ -44 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/44.pdf}} -+ -71 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/71.pdf}} -\xrightarrow[0.11]{1.07} 14 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/14.pdf}} + -85 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/85.pdf}} +87 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/87.pdf}} +\xrightarrow[0.07]{0.68} +68 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/68.pdf}} ++ +71 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/71.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(0, 0), (0, 1)] +[(0, 1), (0, 32)] \end{verbatim} product bonds broken:\begin{verbatim} -[(0, 1), (0, 32)] +[(0, 9), (0, 10)] \end{verbatim} @@ -8172,25 +8204,25 @@ Terminal.KEEP \end{verbatim} $$ -29 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/29.pdf}} +15 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/15.pdf}} + -67 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/67.pdf}} -\xrightarrow[0.38]{3.80} -18 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/18.pdf}} +88 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/88.pdf}} +\xrightarrow[0.09]{0.89} +70 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/70.pdf}} + -42 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/42.pdf}} +72 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/72.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(0, 2), (0, 3)] +[(0, 1), (0, 32)] \end{verbatim} product bonds broken:\begin{verbatim} -[(1, 9), (1, 25)] +[(0, 9), (0, 10)] \end{verbatim} @@ -8204,17 +8236,17 @@ Terminal.KEEP \end{verbatim} $$ -65 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/65.pdf}} +42 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/42.pdf}} + -72 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/72.pdf}} -\xrightarrow[0.02]{0.15} -14 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/14.pdf}} +54 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/54.pdf}} +\xrightarrow[0.06]{0.58} +68 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/68.pdf}} + -87 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/87.pdf}} +73 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/73.pdf}} $$ @@ -8222,7 +8254,7 @@ [(0, 12), (0, 13)] \end{verbatim} product bonds broken:\begin{verbatim} -[(0, 1), (0, 32)] +[(1, 3), (1, 10)] \end{verbatim} @@ -8236,25 +8268,25 @@ Terminal.KEEP \end{verbatim} $$ -29 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/29.pdf}} +65 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/65.pdf}} + -67 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/67.pdf}} -\xrightarrow[0.42]{4.25} -18 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/18.pdf}} +72 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/72.pdf}} +\xrightarrow[0.02]{0.15} +14 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/14.pdf}} + -93 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/93.pdf}} +87 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/87.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(0, 2), (0, 3)] +[(0, 12), (0, 13)] \end{verbatim} product bonds broken:\begin{verbatim} -[(1, 12), (1, 25)] +[(0, 1), (0, 32)] \end{verbatim} @@ -8268,25 +8300,25 @@ Terminal.KEEP \end{verbatim} $$ -14 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/14.pdf}} +65 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/65.pdf}} + -83 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/83.pdf}} -\xrightarrow[0.21]{2.13} -61 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/61.pdf}} +73 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/73.pdf}} +\xrightarrow[0.07]{0.66} +13 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/13.pdf}} + -71 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/71.pdf}} +89 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/89.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(0, 1), (0, 32)] +[(0, 12), (0, 13)] \end{verbatim} product bonds broken:\begin{verbatim} -[(0, 2), (0, 17)] +[(0, 1), (0, 32)] \end{verbatim} @@ -8300,25 +8332,25 @@ Terminal.KEEP \end{verbatim} $$ -29 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/29.pdf}} +66 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/66.pdf}} + -68 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/68.pdf}} -\xrightarrow[0.31]{3.12} -18 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/18.pdf}} +72 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/72.pdf}} +\xrightarrow[0.10]{1.00} +14 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/14.pdf}} + -42 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/42.pdf}} +87 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/87.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(0, 2), (0, 3)] +[(0, 9), (0, 10)] \end{verbatim} product bonds broken:\begin{verbatim} -[(1, 12), (1, 13)] +[(0, 1), (0, 32)] \end{verbatim} @@ -8332,12 +8364,12 @@ Terminal.KEEP \end{verbatim} $$ -65 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/65.pdf}} +66 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/66.pdf}} + 73 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/73.pdf}} -\xrightarrow[0.07]{0.66} +\xrightarrow[0.15]{1.51} 13 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/13.pdf}} + @@ -8347,7 +8379,7 @@ reactant bonds broken:\begin{verbatim} -[(0, 12), (0, 13)] +[(0, 9), (0, 10)] \end{verbatim} product bonds broken:\begin{verbatim} [(0, 1), (0, 32)] @@ -8364,25 +8396,25 @@ Terminal.KEEP \end{verbatim} $$ -79 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/79.pdf}} +67 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/67.pdf}} ++ +71 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/71.pdf}} +\xrightarrow[0.00]{0.00} +14 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/14.pdf}} + 87 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/87.pdf}} -\xrightarrow[0.06]{0.60} -29 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/29.pdf}} -+ -65 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/65.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(0, 10), (0, 34)] +[(0, 12), (0, 13)] \end{verbatim} product bonds broken:\begin{verbatim} -[(1, 12), (1, 13)] +[(0, 1), (0, 32)] \end{verbatim} @@ -8396,25 +8428,25 @@ Terminal.KEEP \end{verbatim} $$ -66 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/66.pdf}} +67 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/67.pdf}} + -72 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/72.pdf}} -\xrightarrow[0.10]{1.00} -14 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/14.pdf}} +73 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/73.pdf}} +\xrightarrow[0.01]{0.10} +42 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/42.pdf}} + -87 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/87.pdf}} +54 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/54.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(0, 9), (0, 10)] +[(1, 3), (1, 10)] \end{verbatim} product bonds broken:\begin{verbatim} -[(0, 1), (0, 32)] +[(0, 9), (0, 25)] \end{verbatim} @@ -8428,25 +8460,25 @@ Terminal.KEEP \end{verbatim} $$ -79 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/79.pdf}} +67 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/67.pdf}} + -88 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/88.pdf}} -\xrightarrow[0.12]{1.24} -28 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/28.pdf}} +73 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/73.pdf}} +\xrightarrow[0.05]{0.55} +54 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/54.pdf}} + -69 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/69.pdf}} +93 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/93.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(0, 10), (0, 34)] +[(1, 3), (1, 10)] \end{verbatim} product bonds broken:\begin{verbatim} -[(1, 12), (1, 13)] +[(1, 12), (1, 25)] \end{verbatim} @@ -8460,25 +8492,25 @@ Terminal.KEEP \end{verbatim} $$ -15 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/15.pdf}} +69 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/69.pdf}} + 71 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/71.pdf}} -\xrightarrow[0.29]{2.93} +\xrightarrow[0.19]{1.88} 13 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/13.pdf}} + -73 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/73.pdf}} +89 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/89.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(1, 3), (1, 11)] +[(0, 12), (0, 13)] \end{verbatim} product bonds broken:\begin{verbatim} -[(1, 3), (1, 10)] +[(0, 1), (0, 32)] \end{verbatim} @@ -8492,25 +8524,25 @@ Terminal.KEEP \end{verbatim} $$ -79 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/79.pdf}} +69 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/69.pdf}} + -88 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/88.pdf}} -\xrightarrow[0.24]{2.41} -28 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/28.pdf}} +72 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/72.pdf}} +\xrightarrow[0.33]{3.26} +14 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/14.pdf}} + -70 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/70.pdf}} +89 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/89.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(0, 10), (0, 34)] +[(0, 12), (0, 13)] \end{verbatim} product bonds broken:\begin{verbatim} -[(1, 9), (1, 10)] +[(0, 1), (0, 32)] \end{verbatim} @@ -8524,25 +8556,25 @@ Terminal.KEEP \end{verbatim} $$ -13 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/13.pdf}} -+ 69 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/69.pdf}} -\xrightarrow[0.06]{0.61} -40 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/40.pdf}} + -73 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/73.pdf}} +72 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/72.pdf}} +\xrightarrow[0.03]{0.27} +15 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/15.pdf}} ++ +88 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/88.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(0, 1), (0, 32)] +[(0, 12), (0, 13)] \end{verbatim} product bonds broken:\begin{verbatim} -[(0, 9), (0, 25)] +[(0, 1), (0, 32)] \end{verbatim} @@ -8556,12 +8588,12 @@ Terminal.KEEP \end{verbatim} $$ -66 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/66.pdf}} +70 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/70.pdf}} + -73 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/73.pdf}} -\xrightarrow[0.15]{1.51} +71 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/71.pdf}} +\xrightarrow[0.07]{0.71} 13 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/13.pdf}} + @@ -8588,25 +8620,25 @@ Terminal.KEEP \end{verbatim} $$ +70 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/70.pdf}} ++ +72 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/72.pdf}} +\xrightarrow[0.21]{2.10} 14 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/14.pdf}} + -66 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/66.pdf}} -\xrightarrow[0.03]{0.35} -41 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/41.pdf}} -+ -71 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/71.pdf}} +89 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/89.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(0, 1), (0, 32)] +[(0, 9), (0, 10)] \end{verbatim} product bonds broken:\begin{verbatim} -[(0, 12), (0, 13)] +[(0, 1), (0, 32)] \end{verbatim} @@ -8620,25 +8652,25 @@ Terminal.KEEP \end{verbatim} $$ -67 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/67.pdf}} +15 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/15.pdf}} + -71 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/71.pdf}} -\xrightarrow[0.00]{0.00} -14 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/14.pdf}} +86 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/86.pdf}} +\xrightarrow[0.18]{1.79} +45 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/45.pdf}} + -87 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/87.pdf}} +72 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/72.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(0, 12), (0, 13)] +[(0, 1), (0, 32)] \end{verbatim} product bonds broken:\begin{verbatim} -[(0, 1), (0, 32)] +[(0, 0), (0, 1)] \end{verbatim} @@ -8652,25 +8684,25 @@ Terminal.KEEP \end{verbatim} $$ -15 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/15.pdf}} +43 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/43.pdf}} + -54 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/54.pdf}} -\xrightarrow[0.03]{0.32} 72 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/72.pdf}} +\xrightarrow[0.08]{0.84} +14 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/14.pdf}} + -73 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/73.pdf}} +85 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/85.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(0, 1), (0, 32)] +[(0, 0), (0, 1)] \end{verbatim} product bonds broken:\begin{verbatim} -[(1, 3), (1, 10)] +[(0, 1), (0, 32)] \end{verbatim} @@ -8684,25 +8716,25 @@ Terminal.KEEP \end{verbatim} $$ -15 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/15.pdf}} -+ -65 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/65.pdf}} -\xrightarrow[0.06]{0.57} -42 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/42.pdf}} +44 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/44.pdf}} + 71 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/71.pdf}} +\xrightarrow[0.11]{1.07} +14 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/14.pdf}} ++ +85 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/85.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(0, 1), (0, 32)] +[(0, 0), (0, 1)] \end{verbatim} product bonds broken:\begin{verbatim} -[(0, 9), (0, 25)] +[(0, 1), (0, 32)] \end{verbatim} @@ -8716,17 +8748,17 @@ Terminal.KEEP \end{verbatim} $$ -15 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/15.pdf}} +14 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/14.pdf}} ++ +83 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/83.pdf}} +\xrightarrow[0.21]{2.13} +61 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/61.pdf}} + -65 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/65.pdf}} -\xrightarrow[0.10]{1.02} 71 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/71.pdf}} -+ -93 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/93.pdf}} $$ @@ -8734,7 +8766,7 @@ [(0, 1), (0, 32)] \end{verbatim} product bonds broken:\begin{verbatim} -[(1, 12), (1, 25)] +[(0, 2), (0, 17)] \end{verbatim} @@ -8748,25 +8780,25 @@ Terminal.KEEP \end{verbatim} $$ -67 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/67.pdf}} +15 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/15.pdf}} + -73 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/73.pdf}} -\xrightarrow[0.01]{0.10} -42 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/42.pdf}} +71 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/71.pdf}} +\xrightarrow[0.29]{2.93} +13 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/13.pdf}} + -54 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/54.pdf}} +73 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/73.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(1, 3), (1, 10)] +[(1, 3), (1, 11)] \end{verbatim} product bonds broken:\begin{verbatim} -[(0, 9), (0, 25)] +[(1, 3), (1, 10)] \end{verbatim} @@ -8780,25 +8812,25 @@ Terminal.KEEP \end{verbatim} $$ -67 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/67.pdf}} +13 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/13.pdf}} ++ +69 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/69.pdf}} +\xrightarrow[0.06]{0.61} +40 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/40.pdf}} + 73 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/73.pdf}} -\xrightarrow[0.05]{0.55} -54 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/54.pdf}} -+ -93 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/93.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(1, 3), (1, 10)] +[(0, 1), (0, 32)] \end{verbatim} product bonds broken:\begin{verbatim} -[(1, 12), (1, 25)] +[(0, 9), (0, 25)] \end{verbatim} @@ -8812,14 +8844,14 @@ Terminal.KEEP \end{verbatim} $$ -15 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/15.pdf}} +14 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/14.pdf}} + 66 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/66.pdf}} -\xrightarrow[0.14]{1.42} -42 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/42.pdf}} +\xrightarrow[0.03]{0.35} +41 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/41.pdf}} + 71 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/71.pdf}} @@ -8844,25 +8876,25 @@ Terminal.KEEP \end{verbatim} $$ -71 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/71.pdf}} +15 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/15.pdf}} + -81 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/81.pdf}} -\xrightarrow[0.20]{2.02} -14 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/14.pdf}} +65 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/65.pdf}} +\xrightarrow[0.06]{0.57} +42 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/42.pdf}} + -48 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/48.pdf}} +71 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/71.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(1, 0), (1, 11)] +[(0, 1), (0, 32)] \end{verbatim} product bonds broken:\begin{verbatim} -[(0, 1), (0, 32)] +[(0, 9), (0, 25)] \end{verbatim} @@ -8876,25 +8908,25 @@ Terminal.KEEP \end{verbatim} $$ +15 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/15.pdf}} ++ +65 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/65.pdf}} +\xrightarrow[0.10]{1.02} 71 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/71.pdf}} + -82 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/82.pdf}} -\xrightarrow[0.21]{2.07} -13 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/13.pdf}} -+ -50 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/50.pdf}} +93 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/93.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(1, 0), (1, 11)] +[(0, 1), (0, 32)] \end{verbatim} product bonds broken:\begin{verbatim} -[(0, 1), (0, 32)] +[(1, 12), (1, 25)] \end{verbatim} @@ -8908,25 +8940,25 @@ Terminal.KEEP \end{verbatim} $$ -72 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/72.pdf}} +15 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/15.pdf}} + -80 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/80.pdf}} -\xrightarrow[0.20]{2.04} -14 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/14.pdf}} +66 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/66.pdf}} +\xrightarrow[0.14]{1.42} +42 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/42.pdf}} + -48 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/48.pdf}} +71 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/71.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(1, 0), (1, 11)] +[(0, 1), (0, 32)] \end{verbatim} product bonds broken:\begin{verbatim} -[(0, 1), (0, 32)] +[(0, 12), (0, 13)] \end{verbatim} @@ -8940,25 +8972,25 @@ Terminal.KEEP \end{verbatim} $$ -72 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/72.pdf}} +15 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/15.pdf}} + -82 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/82.pdf}} -\xrightarrow[0.35]{3.46} -14 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/14.pdf}} +67 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/67.pdf}} +\xrightarrow[0.04]{0.42} +42 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/42.pdf}} + -50 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/50.pdf}} +72 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/72.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(1, 0), (1, 11)] +[(0, 1), (0, 32)] \end{verbatim} product bonds broken:\begin{verbatim} -[(0, 1), (0, 32)] +[(0, 9), (0, 25)] \end{verbatim} @@ -8972,25 +9004,25 @@ Terminal.KEEP \end{verbatim} $$ -72 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/72.pdf}} -+ -82 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/82.pdf}} -\xrightarrow[0.06]{0.56} 15 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/15.pdf}} + -49 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/49.pdf}} +67 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/67.pdf}} +\xrightarrow[0.09]{0.87} +72 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/72.pdf}} ++ +93 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/93.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(1, 0), (1, 11)] +[(0, 1), (0, 32)] \end{verbatim} product bonds broken:\begin{verbatim} -[(0, 1), (0, 32)] +[(1, 12), (1, 25)] \end{verbatim} @@ -9004,22 +9036,22 @@ Terminal.KEEP \end{verbatim} $$ +40 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/40.pdf}} ++ 73 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/73.pdf}} -+ -80 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/80.pdf}} -\xrightarrow[0.17]{1.69} +\xrightarrow[0.06]{0.56} 13 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/13.pdf}} + -50 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/50.pdf}} +70 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/70.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(1, 0), (1, 11)] +[(0, 12), (0, 13)] \end{verbatim} product bonds broken:\begin{verbatim} [(0, 1), (0, 32)] @@ -9036,22 +9068,22 @@ Terminal.KEEP \end{verbatim} $$ -69 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/69.pdf}} +41 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/41.pdf}} + 71 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/71.pdf}} -\xrightarrow[0.19]{1.88} -13 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/13.pdf}} +\xrightarrow[0.05]{0.50} +14 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/14.pdf}} + -89 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/89.pdf}} +65 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/65.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(0, 12), (0, 13)] +[(0, 9), (0, 25)] \end{verbatim} product bonds broken:\begin{verbatim} [(0, 1), (0, 32)] @@ -9068,25 +9100,25 @@ Terminal.KEEP \end{verbatim} $$ +41 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/41.pdf}} ++ +72 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/72.pdf}} +\xrightarrow[0.07]{0.65} 14 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/14.pdf}} + -46 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/46.pdf}} -\xrightarrow[0.05]{0.52} -71 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/71.pdf}} -+ -75 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/75.pdf}} +67 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/67.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(0, 1), (0, 32)] +[(0, 9), (0, 25)] \end{verbatim} product bonds broken:\begin{verbatim} -[(1, 0), (1, 1)] +[(0, 1), (0, 32)] \end{verbatim} @@ -9100,25 +9132,25 @@ Terminal.KEEP \end{verbatim} $$ -15 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/15.pdf}} -+ -67 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/67.pdf}} -\xrightarrow[0.04]{0.42} -42 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/42.pdf}} +41 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/41.pdf}} + 72 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/72.pdf}} +\xrightarrow[0.13]{1.34} +14 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/14.pdf}} ++ +68 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/68.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(0, 1), (0, 32)] +[(0, 12), (0, 13)] \end{verbatim} product bonds broken:\begin{verbatim} -[(0, 9), (0, 25)] +[(0, 1), (0, 32)] \end{verbatim} @@ -9132,25 +9164,25 @@ Terminal.KEEP \end{verbatim} $$ -14 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/14.pdf}} +42 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/42.pdf}} + -46 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/46.pdf}} -\xrightarrow[0.04]{0.42} 72 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/72.pdf}} +\xrightarrow[0.03]{0.26} +15 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/15.pdf}} + -74 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/74.pdf}} +68 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/68.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(0, 1), (0, 32)] +[(0, 12), (0, 13)] \end{verbatim} product bonds broken:\begin{verbatim} -[(1, 0), (1, 1)] +[(0, 1), (0, 32)] \end{verbatim} @@ -9164,25 +9196,25 @@ Terminal.KEEP \end{verbatim} $$ -69 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/69.pdf}} +15 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/15.pdf}} + +54 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/54.pdf}} +\xrightarrow[0.03]{0.32} 72 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/72.pdf}} -\xrightarrow[0.33]{3.26} -14 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/14.pdf}} + -89 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/89.pdf}} +73 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/73.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(0, 12), (0, 13)] +[(0, 1), (0, 32)] \end{verbatim} product bonds broken:\begin{verbatim} -[(0, 1), (0, 32)] +[(1, 3), (1, 10)] \end{verbatim} @@ -9196,25 +9228,25 @@ Terminal.KEEP \end{verbatim} $$ -15 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/15.pdf}} -+ -67 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/67.pdf}} -\xrightarrow[0.09]{0.87} -72 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/72.pdf}} +71 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/71.pdf}} + -93 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/93.pdf}} +81 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/81.pdf}} +\xrightarrow[0.20]{2.02} +14 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/14.pdf}} ++ +48 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/48.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(0, 1), (0, 32)] +[(1, 0), (1, 11)] \end{verbatim} product bonds broken:\begin{verbatim} -[(1, 12), (1, 25)] +[(0, 1), (0, 32)] \end{verbatim} @@ -9228,25 +9260,25 @@ Terminal.KEEP \end{verbatim} $$ -15 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/15.pdf}} +71 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/71.pdf}} + -47 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/47.pdf}} -\xrightarrow[0.05]{0.52} -72 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/72.pdf}} +82 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/82.pdf}} +\xrightarrow[0.21]{2.07} +13 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/13.pdf}} + -76 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/76.pdf}} +50 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/50.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(0, 1), (0, 32)] +[(1, 0), (1, 11)] \end{verbatim} product bonds broken:\begin{verbatim} -[(1, 0), (1, 1)] +[(0, 1), (0, 32)] \end{verbatim} @@ -9260,22 +9292,22 @@ Terminal.KEEP \end{verbatim} $$ -69 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/69.pdf}} -+ 72 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/72.pdf}} -\xrightarrow[0.03]{0.27} -15 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/15.pdf}} + -88 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/88.pdf}} +80 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/80.pdf}} +\xrightarrow[0.20]{2.04} +14 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/14.pdf}} ++ +48 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/48.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(0, 12), (0, 13)] +[(1, 0), (1, 11)] \end{verbatim} product bonds broken:\begin{verbatim} [(0, 1), (0, 32)] @@ -9292,25 +9324,25 @@ Terminal.KEEP \end{verbatim} $$ -15 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/15.pdf}} -+ -33 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/33.pdf}} -\xrightarrow[0.13]{1.30} -27 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/27.pdf}} -+ 72 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/72.pdf}} ++ +82 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/82.pdf}} +\xrightarrow[0.35]{3.46} +14 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/14.pdf}} ++ +50 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/50.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(0, 1), (0, 32)] +[(1, 0), (1, 11)] \end{verbatim} product bonds broken:\begin{verbatim} -[(0, 0), (0, 13)] +[(0, 1), (0, 32)] \end{verbatim} @@ -9324,22 +9356,22 @@ Terminal.KEEP \end{verbatim} $$ -70 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/70.pdf}} +72 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/72.pdf}} + -71 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/71.pdf}} -\xrightarrow[0.07]{0.71} -13 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/13.pdf}} +82 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/82.pdf}} +\xrightarrow[0.06]{0.56} +15 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/15.pdf}} + -89 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/89.pdf}} +49 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/49.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(0, 9), (0, 10)] +[(1, 0), (1, 11)] \end{verbatim} product bonds broken:\begin{verbatim} [(0, 1), (0, 32)] @@ -9356,22 +9388,22 @@ Terminal.KEEP \end{verbatim} $$ -25 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/25.pdf}} +73 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/73.pdf}} + -72 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/72.pdf}} -\xrightarrow[0.18]{1.79} -14 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/14.pdf}} +80 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/80.pdf}} +\xrightarrow[0.17]{1.69} +13 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/13.pdf}} + -32 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/32.pdf}} +50 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/50.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(0, 0), (0, 13)] +[(1, 0), (1, 11)] \end{verbatim} product bonds broken:\begin{verbatim} [(0, 1), (0, 32)] @@ -9388,25 +9420,25 @@ Terminal.KEEP \end{verbatim} $$ -70 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/70.pdf}} -+ -72 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/72.pdf}} -\xrightarrow[0.21]{2.10} 14 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/14.pdf}} + -89 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/89.pdf}} +46 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/46.pdf}} +\xrightarrow[0.05]{0.52} +71 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/71.pdf}} ++ +75 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/75.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(0, 9), (0, 10)] +[(0, 1), (0, 32)] \end{verbatim} product bonds broken:\begin{verbatim} -[(0, 1), (0, 32)] +[(1, 0), (1, 1)] \end{verbatim} @@ -9420,25 +9452,25 @@ Terminal.KEEP \end{verbatim} $$ -26 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/26.pdf}} -+ -71 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/71.pdf}} -\xrightarrow[0.26]{2.58} 14 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/14.pdf}} + -32 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/32.pdf}} +46 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/46.pdf}} +\xrightarrow[0.04]{0.42} +72 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/72.pdf}} ++ +74 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/74.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(0, 0), (0, 13)] +[(0, 1), (0, 32)] \end{verbatim} product bonds broken:\begin{verbatim} -[(0, 1), (0, 32)] +[(1, 0), (1, 1)] \end{verbatim} @@ -9452,25 +9484,25 @@ Terminal.KEEP \end{verbatim} $$ -27 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/27.pdf}} +15 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/15.pdf}} + +47 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/47.pdf}} +\xrightarrow[0.05]{0.52} 72 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/72.pdf}} -\xrightarrow[0.00]{0.05} -14 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/14.pdf}} + -34 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/34.pdf}} +76 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/76.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(0, 0), (0, 13)] +[(0, 1), (0, 32)] \end{verbatim} product bonds broken:\begin{verbatim} -[(0, 1), (0, 32)] +[(1, 0), (1, 1)] \end{verbatim} @@ -9484,25 +9516,25 @@ Terminal.KEEP \end{verbatim} $$ -40 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/40.pdf}} +15 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/15.pdf}} + -73 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/73.pdf}} -\xrightarrow[0.06]{0.56} -13 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/13.pdf}} +33 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/33.pdf}} +\xrightarrow[0.13]{1.30} +27 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/27.pdf}} + -70 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/70.pdf}} +72 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/72.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(0, 12), (0, 13)] +[(0, 1), (0, 32)] \end{verbatim} product bonds broken:\begin{verbatim} -[(0, 1), (0, 32)] +[(0, 0), (0, 13)] \end{verbatim} @@ -9516,25 +9548,25 @@ Terminal.KEEP \end{verbatim} $$ +25 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/25.pdf}} ++ +72 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/72.pdf}} +\xrightarrow[0.18]{1.79} 14 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/14.pdf}} + -19 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/19.pdf}} -\xrightarrow[0.45]{4.47} -30 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/30.pdf}} -+ -71 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/71.pdf}} +32 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/32.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(0, 1), (0, 32)] +[(0, 0), (0, 13)] \end{verbatim} product bonds broken:\begin{verbatim} -[(0, 2), (0, 3)] +[(0, 1), (0, 32)] \end{verbatim} @@ -9548,22 +9580,22 @@ Terminal.KEEP \end{verbatim} $$ -72 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/72.pdf}} +26 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/26.pdf}} + -79 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/79.pdf}} -\xrightarrow[0.08]{0.76} +71 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/71.pdf}} +\xrightarrow[0.26]{2.58} 14 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/14.pdf}} + -29 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/29.pdf}} +32 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/32.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(1, 10), (1, 34)] +[(0, 0), (0, 13)] \end{verbatim} product bonds broken:\begin{verbatim} [(0, 1), (0, 32)] @@ -9580,22 +9612,22 @@ Terminal.KEEP \end{verbatim} $$ -41 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/41.pdf}} +27 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/27.pdf}} + -71 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/71.pdf}} -\xrightarrow[0.05]{0.50} +72 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/72.pdf}} +\xrightarrow[0.00]{0.05} 14 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/14.pdf}} + -65 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/65.pdf}} +34 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/34.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(0, 9), (0, 25)] +[(0, 0), (0, 13)] \end{verbatim} product bonds broken:\begin{verbatim} [(0, 1), (0, 32)] @@ -9617,12 +9649,12 @@ + 79 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/79.pdf}} -\xrightarrow[0.15]{1.52} -15 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/15.pdf}} +\xrightarrow[0.08]{0.76} +14 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/14.pdf}} + -28 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/28.pdf}} +29 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/29.pdf}} $$ @@ -9644,22 +9676,22 @@ Terminal.KEEP \end{verbatim} $$ -28 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/28.pdf}} +72 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/72.pdf}} + -71 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/71.pdf}} -\xrightarrow[0.12]{1.23} -13 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/13.pdf}} +79 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/79.pdf}} +\xrightarrow[0.15]{1.52} +15 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/15.pdf}} + -18 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/18.pdf}} +28 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/28.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(0, 2), (0, 3)] +[(1, 10), (1, 34)] \end{verbatim} product bonds broken:\begin{verbatim} [(0, 1), (0, 32)] @@ -9708,25 +9740,25 @@ Terminal.KEEP \end{verbatim} $$ -28 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/28.pdf}} -+ -71 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/71.pdf}} -\xrightarrow[0.13]{1.32} 14 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/14.pdf}} + -17 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/17.pdf}} +19 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/19.pdf}} +\xrightarrow[0.45]{4.47} +30 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/30.pdf}} ++ +71 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/71.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(0, 2), (0, 3)] +[(0, 1), (0, 32)] \end{verbatim} product bonds broken:\begin{verbatim} -[(0, 1), (0, 32)] +[(0, 2), (0, 3)] \end{verbatim} @@ -9740,22 +9772,22 @@ Terminal.KEEP \end{verbatim} $$ -41 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/41.pdf}} +28 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/28.pdf}} + -72 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/72.pdf}} -\xrightarrow[0.07]{0.65} -14 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/14.pdf}} +71 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/71.pdf}} +\xrightarrow[0.12]{1.23} +13 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/13.pdf}} + -67 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/67.pdf}} +18 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/18.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(0, 9), (0, 25)] +[(0, 2), (0, 3)] \end{verbatim} product bonds broken:\begin{verbatim} [(0, 1), (0, 32)] @@ -9775,14 +9807,14 @@ 28 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/28.pdf}} + -72 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/72.pdf}} -\xrightarrow[0.26]{2.62} +71 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/71.pdf}} +\xrightarrow[0.13]{1.32} 14 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/14.pdf}} + -18 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/18.pdf}} +17 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/17.pdf}} $$ @@ -9804,22 +9836,22 @@ Terminal.KEEP \end{verbatim} $$ -41 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/41.pdf}} +28 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/28.pdf}} + 72 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/72.pdf}} -\xrightarrow[0.13]{1.34} +\xrightarrow[0.26]{2.62} 14 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/14.pdf}} + -68 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/68.pdf}} +18 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/18.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(0, 12), (0, 13)] +[(0, 2), (0, 3)] \end{verbatim} product bonds broken:\begin{verbatim} [(0, 1), (0, 32)] @@ -9860,38 +9892,6 @@ -\vspace{1cm} -\begin{verbatim} -more than one reactant -fragment matching found -free_energy dG is above threshold=0.0 -Terminal.KEEP -\end{verbatim} -$$ -47 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/47.pdf}} -+ -73 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/73.pdf}} -\xrightarrow[0.02]{0.19} -54 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/54.pdf}} -+ -76 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/76.pdf}} -$$ - - -reactant bonds broken:\begin{verbatim} -[(1, 3), (1, 10)] -\end{verbatim} -product bonds broken:\begin{verbatim} -[(1, 0), (1, 1)] -\end{verbatim} - - - - \vspace{1cm} \begin{verbatim} more than one reactant @@ -9964,25 +9964,25 @@ Terminal.KEEP \end{verbatim} $$ -42 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/42.pdf}} +47 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/47.pdf}} + -72 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/72.pdf}} -\xrightarrow[0.03]{0.26} -15 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/15.pdf}} +73 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/73.pdf}} +\xrightarrow[0.02]{0.19} +54 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/54.pdf}} + -68 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/68.pdf}} +76 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/76.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(0, 12), (0, 13)] +[(1, 3), (1, 10)] \end{verbatim} product bonds broken:\begin{verbatim} -[(0, 1), (0, 32)] +[(1, 0), (1, 1)] \end{verbatim} @@ -10124,25 +10124,25 @@ Terminal.KEEP \end{verbatim} $$ -16 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/16.pdf}} +19 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/19.pdf}} + -86 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/86.pdf}} -\xrightarrow[0.15]{1.52} -4 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/4.pdf}} +33 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/33.pdf}} +\xrightarrow[0.61]{6.10} +30 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/30.pdf}} + -45 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/45.pdf}} +94 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/94.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(0, 0), (0, 23)] +[(1, 1), (1, 6)] \end{verbatim} product bonds broken:\begin{verbatim} -[(1, 0), (1, 1)] +[(0, 2), (0, 3)] \end{verbatim} @@ -10156,25 +10156,25 @@ Terminal.KEEP \end{verbatim} $$ -19 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/19.pdf}} +28 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/28.pdf}} ++ +95 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/95.pdf}} +\xrightarrow[0.14]{1.40} +18 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/18.pdf}} + 33 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/33.pdf}} -\xrightarrow[0.61]{6.10} -30 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/30.pdf}} -+ -94 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/94.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(1, 1), (1, 6)] +[(0, 2), (0, 3)] \end{verbatim} product bonds broken:\begin{verbatim} -[(0, 2), (0, 3)] +[(1, 1), (1, 6)] \end{verbatim} @@ -10188,25 +10188,25 @@ Terminal.KEEP \end{verbatim} $$ -3 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/3.pdf}} -+ 29 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/29.pdf}} -\xrightarrow[0.27]{2.71} -16 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/16.pdf}} + +94 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/94.pdf}} +\xrightarrow[0.18]{1.80} 17 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/17.pdf}} ++ +34 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/34.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(1, 2), (1, 3)] +[(0, 2), (0, 3)] \end{verbatim} product bonds broken:\begin{verbatim} -[(0, 0), (0, 23)] +[(1, 1), (1, 6)] \end{verbatim} @@ -10220,17 +10220,17 @@ Terminal.KEEP \end{verbatim} $$ -28 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/28.pdf}} +29 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/29.pdf}} + 95 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/95.pdf}} -\xrightarrow[0.14]{1.40} +\xrightarrow[0.35]{3.50} 18 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/18.pdf}} + -33 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/33.pdf}} +34 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/34.pdf}} $$ @@ -10252,17 +10252,49 @@ Terminal.KEEP \end{verbatim} $$ +16 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/16.pdf}} ++ +86 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/86.pdf}} +\xrightarrow[0.15]{1.52} 4 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/4.pdf}} + +45 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/45.pdf}} +$$ + + +reactant bonds broken:\begin{verbatim} +[(0, 0), (0, 23)] +\end{verbatim} +product bonds broken:\begin{verbatim} +[(1, 0), (1, 1)] +\end{verbatim} + + + + +\vspace{1cm} +\begin{verbatim} +more than one reactant +fragment matching found +free_energy dG is above threshold=0.0 +Terminal.KEEP +\end{verbatim} +$$ +3 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/3.pdf}} ++ 29 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/29.pdf}} -\xrightarrow[0.36]{3.64} +\xrightarrow[0.27]{2.71} 16 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/16.pdf}} + -18 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/18.pdf}} +17 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/17.pdf}} $$ @@ -10284,25 +10316,25 @@ Terminal.KEEP \end{verbatim} $$ -29 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/29.pdf}} -+ -94 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/94.pdf}} -\xrightarrow[0.18]{1.80} -17 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/17.pdf}} +4 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/4.pdf}} + -34 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/34.pdf}} +29 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/29.pdf}} +\xrightarrow[0.36]{3.64} +16 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/16.pdf}} ++ +18 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/18.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(0, 2), (0, 3)] +[(1, 2), (1, 3)] \end{verbatim} product bonds broken:\begin{verbatim} -[(1, 1), (1, 6)] +[(0, 0), (0, 23)] \end{verbatim} @@ -10372,38 +10404,6 @@ -\vspace{1cm} -\begin{verbatim} -more than one reactant -fragment matching found -free_energy dG is above threshold=0.0 -Terminal.KEEP -\end{verbatim} -$$ -29 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/29.pdf}} -+ -95 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/95.pdf}} -\xrightarrow[0.35]{3.50} -18 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/18.pdf}} -+ -34 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/34.pdf}} -$$ - - -reactant bonds broken:\begin{verbatim} -[(0, 2), (0, 3)] -\end{verbatim} -product bonds broken:\begin{verbatim} -[(1, 1), (1, 6)] -\end{verbatim} - - - - \vspace{1cm} \begin{verbatim} more than one reactant @@ -10572,25 +10572,25 @@ Terminal.KEEP \end{verbatim} $$ -54 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/54.pdf}} +4 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/4.pdf}} + -92 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/92.pdf}} -\xrightarrow[0.00]{0.02} -2 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/2.pdf}} +42 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/42.pdf}} +\xrightarrow[0.05]{0.52} +16 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/16.pdf}} + -73 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/73.pdf}} +68 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/68.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(1, 0), (1, 1)] +[(1, 12), (1, 13)] \end{verbatim} product bonds broken:\begin{verbatim} -[(1, 3), (1, 10)] +[(0, 0), (0, 23)] \end{verbatim} @@ -10604,25 +10604,25 @@ Terminal.KEEP \end{verbatim} $$ -46 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/46.pdf}} +16 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/16.pdf}} + -91 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/91.pdf}} -\xrightarrow[0.14]{1.42} -1 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/1.pdf}} +65 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/65.pdf}} +\xrightarrow[0.04]{0.39} +3 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/3.pdf}} + -75 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/75.pdf}} +93 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/93.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(1, 0), (1, 1)] +[(0, 0), (0, 23)] \end{verbatim} product bonds broken:\begin{verbatim} -[(1, 0), (1, 1)] +[(1, 12), (1, 25)] \end{verbatim} @@ -10636,25 +10636,25 @@ Terminal.KEEP \end{verbatim} $$ -1 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/1.pdf}} +16 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/16.pdf}} + -69 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/69.pdf}} -\xrightarrow[0.06]{0.57} -87 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/87.pdf}} +66 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/66.pdf}} +\xrightarrow[0.08]{0.79} +3 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/3.pdf}} + -92 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/92.pdf}} +42 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/42.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(1, 12), (1, 13)] +[(0, 0), (0, 23)] \end{verbatim} product bonds broken:\begin{verbatim} -[(1, 0), (1, 1)] +[(1, 12), (1, 13)] \end{verbatim} @@ -10668,25 +10668,89 @@ Terminal.KEEP \end{verbatim} $$ +16 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/16.pdf}} ++ +67 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/67.pdf}} +\xrightarrow[0.02]{0.16} 4 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/4.pdf}} + 42 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/42.pdf}} -\xrightarrow[0.05]{0.52} +$$ + + +reactant bonds broken:\begin{verbatim} +[(0, 0), (0, 23)] +\end{verbatim} +product bonds broken:\begin{verbatim} +[(1, 9), (1, 25)] +\end{verbatim} + + + + +\vspace{1cm} +\begin{verbatim} +more than one reactant +fragment matching found +free_energy dG is above threshold=0.0 +Terminal.KEEP +\end{verbatim} +$$ 16 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/16.pdf}} + -68 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/68.pdf}} +67 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/67.pdf}} +\xrightarrow[0.06]{0.61} +4 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/4.pdf}} ++ +93 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/93.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(1, 12), (1, 13)] +[(0, 0), (0, 23)] \end{verbatim} product bonds broken:\begin{verbatim} -[(0, 0), (0, 23)] +[(1, 12), (1, 25)] +\end{verbatim} + + + + +\vspace{1cm} +\begin{verbatim} +more than one reactant +fragment matching found +free_energy dG is above threshold=0.0 +Terminal.KEEP +\end{verbatim} +$$ +46 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/46.pdf}} ++ +91 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/91.pdf}} +\xrightarrow[0.14]{1.42} +1 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/1.pdf}} ++ +75 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/75.pdf}} +$$ + + +reactant bonds broken:\begin{verbatim} +[(1, 0), (1, 1)] +\end{verbatim} +product bonds broken:\begin{verbatim} +[(1, 0), (1, 1)] \end{verbatim} @@ -10764,25 +10828,25 @@ Terminal.KEEP \end{verbatim} $$ -1 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/1.pdf}} +73 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/73.pdf}} + -69 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/69.pdf}} -\xrightarrow[0.28]{2.80} -89 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/89.pdf}} +86 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/86.pdf}} +\xrightarrow[0.15]{1.47} +45 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/45.pdf}} + -90 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/90.pdf}} +54 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/54.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(1, 12), (1, 13)] +[(0, 3), (0, 10)] \end{verbatim} product bonds broken:\begin{verbatim} -[(1, 0), (1, 1)] +[(0, 0), (0, 1)] \end{verbatim} @@ -10796,25 +10860,25 @@ Terminal.KEEP \end{verbatim} $$ -1 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/1.pdf}} +54 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/54.pdf}} + -70 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/70.pdf}} -\xrightarrow[0.16]{1.63} -89 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/89.pdf}} +92 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/92.pdf}} +\xrightarrow[0.00]{0.02} +2 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/2.pdf}} + -90 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/90.pdf}} +73 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/73.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(1, 9), (1, 10)] +[(1, 0), (1, 1)] \end{verbatim} product bonds broken:\begin{verbatim} -[(1, 0), (1, 1)] +[(1, 3), (1, 10)] \end{verbatim} @@ -10828,25 +10892,25 @@ Terminal.KEEP \end{verbatim} $$ -16 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/16.pdf}} +1 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/1.pdf}} + -65 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/65.pdf}} -\xrightarrow[0.04]{0.39} -3 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/3.pdf}} +69 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/69.pdf}} +\xrightarrow[0.06]{0.57} +87 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/87.pdf}} + -93 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/93.pdf}} +92 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/92.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(0, 0), (0, 23)] +[(1, 12), (1, 13)] \end{verbatim} product bonds broken:\begin{verbatim} -[(1, 12), (1, 25)] +[(1, 0), (1, 1)] \end{verbatim} @@ -10860,25 +10924,25 @@ Terminal.KEEP \end{verbatim} $$ -73 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/73.pdf}} +1 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/1.pdf}} + -86 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/86.pdf}} -\xrightarrow[0.15]{1.47} -45 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/45.pdf}} +69 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/69.pdf}} +\xrightarrow[0.28]{2.80} +89 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/89.pdf}} + -54 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/54.pdf}} +90 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/90.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(0, 3), (0, 10)] +[(1, 12), (1, 13)] \end{verbatim} product bonds broken:\begin{verbatim} -[(0, 0), (0, 1)] +[(1, 0), (1, 1)] \end{verbatim} @@ -10892,25 +10956,25 @@ Terminal.KEEP \end{verbatim} $$ -83 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/83.pdf}} -+ -91 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/91.pdf}} -\xrightarrow[0.30]{3.02} 1 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/1.pdf}} + -61 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/61.pdf}} +70 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/70.pdf}} +\xrightarrow[0.16]{1.63} +89 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/89.pdf}} ++ +90 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/90.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(1, 0), (1, 1)] +[(1, 9), (1, 10)] \end{verbatim} product bonds broken:\begin{verbatim} -[(1, 2), (1, 17)] +[(1, 0), (1, 1)] \end{verbatim} @@ -11052,25 +11116,25 @@ Terminal.KEEP \end{verbatim} $$ -16 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/16.pdf}} +88 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/88.pdf}} + -66 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/66.pdf}} -\xrightarrow[0.08]{0.79} -3 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/3.pdf}} +92 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/92.pdf}} +\xrightarrow[0.06]{0.59} +2 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/2.pdf}} + -42 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/42.pdf}} +70 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/70.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(0, 0), (0, 23)] +[(1, 0), (1, 1)] \end{verbatim} product bonds broken:\begin{verbatim} -[(1, 12), (1, 13)] +[(1, 9), (1, 10)] \end{verbatim} @@ -11084,17 +11148,17 @@ Terminal.KEEP \end{verbatim} $$ -88 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/88.pdf}} +83 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/83.pdf}} + -92 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/92.pdf}} -\xrightarrow[0.06]{0.59} -2 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/2.pdf}} +91 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/91.pdf}} +\xrightarrow[0.30]{3.02} +1 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/1.pdf}} + -70 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/70.pdf}} +61 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/61.pdf}} $$ @@ -11102,7 +11166,7 @@ [(1, 0), (1, 1)] \end{verbatim} product bonds broken:\begin{verbatim} -[(1, 9), (1, 10)] +[(1, 2), (1, 17)] \end{verbatim} @@ -11116,25 +11180,25 @@ Terminal.KEEP \end{verbatim} $$ -1 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/1.pdf}} +33 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/33.pdf}} + -44 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/44.pdf}} -\xrightarrow[0.02]{0.17} -85 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/85.pdf}} +87 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/87.pdf}} +\xrightarrow[0.11]{1.07} +65 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/65.pdf}} + -91 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/91.pdf}} +95 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/95.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(1, 0), (1, 1)] +[(0, 1), (0, 6)] \end{verbatim} product bonds broken:\begin{verbatim} -[(1, 0), (1, 1)] +[(0, 12), (0, 13)] \end{verbatim} @@ -11148,25 +11212,25 @@ Terminal.KEEP \end{verbatim} $$ -85 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/85.pdf}} +33 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/33.pdf}} + -92 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/92.pdf}} -\xrightarrow[0.20]{1.96} -1 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/1.pdf}} +87 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/87.pdf}} +\xrightarrow[0.02]{0.22} +66 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/66.pdf}} + -45 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/45.pdf}} +95 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/95.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(1, 0), (1, 1)] +[(0, 1), (0, 6)] \end{verbatim} product bonds broken:\begin{verbatim} -[(1, 0), (1, 1)] +[(0, 9), (0, 10)] \end{verbatim} @@ -11185,12 +11249,12 @@ + 87 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/87.pdf}} -\xrightarrow[0.11]{1.07} -65 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/65.pdf}} +\xrightarrow[0.16]{1.62} +67 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/67.pdf}} + -95 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/95.pdf}} +94 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/94.pdf}} $$ @@ -11212,25 +11276,25 @@ Terminal.KEEP \end{verbatim} $$ -86 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/86.pdf}} +33 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/33.pdf}} + -92 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/92.pdf}} -\xrightarrow[0.15]{1.49} -2 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/2.pdf}} +87 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/87.pdf}} +\xrightarrow[0.23]{2.30} +68 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/68.pdf}} + -45 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/45.pdf}} +94 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/94.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(1, 0), (1, 1)] +[(0, 1), (0, 6)] \end{verbatim} product bonds broken:\begin{verbatim} -[(1, 0), (1, 1)] +[(0, 9), (0, 10)] \end{verbatim} @@ -11244,25 +11308,25 @@ Terminal.KEEP \end{verbatim} $$ -1 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/1.pdf}} +34 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/34.pdf}} + -41 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/41.pdf}} -\xrightarrow[0.02]{0.18} -67 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/67.pdf}} +88 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/88.pdf}} +\xrightarrow[0.08]{0.77} +70 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/70.pdf}} + -90 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/90.pdf}} +95 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/95.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(1, 9), (1, 25)] +[(0, 1), (0, 6)] \end{verbatim} product bonds broken:\begin{verbatim} -[(1, 0), (1, 1)] +[(0, 9), (0, 10)] \end{verbatim} @@ -11276,25 +11340,89 @@ Terminal.KEEP \end{verbatim} $$ -33 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/33.pdf}} +65 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/65.pdf}} + -87 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/87.pdf}} -\xrightarrow[0.02]{0.22} +96 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/96.pdf}} +\xrightarrow[0.04]{0.41} +32 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/32.pdf}} ++ +89 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/89.pdf}} +$$ + + +reactant bonds broken:\begin{verbatim} +[(0, 12), (0, 13)] +\end{verbatim} +product bonds broken:\begin{verbatim} +[(0, 1), (0, 6)] +\end{verbatim} + + + + +\vspace{1cm} +\begin{verbatim} +more than one reactant +fragment matching found +free_energy dG is above threshold=0.0 +Terminal.KEEP +\end{verbatim} +$$ 66 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/66.pdf}} + -95 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/95.pdf}} +96 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/96.pdf}} +\xrightarrow[0.13]{1.26} +32 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/32.pdf}} ++ +89 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/89.pdf}} $$ reactant bonds broken:\begin{verbatim} +[(0, 9), (0, 10)] +\end{verbatim} +product bonds broken:\begin{verbatim} [(0, 1), (0, 6)] \end{verbatim} + + + + +\vspace{1cm} +\begin{verbatim} +more than one reactant +fragment matching found +free_energy dG is above threshold=0.0 +Terminal.KEEP +\end{verbatim} +$$ +69 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/69.pdf}} ++ +94 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/94.pdf}} +\xrightarrow[0.06]{0.57} +32 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/32.pdf}} ++ +89 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/89.pdf}} +$$ + + +reactant bonds broken:\begin{verbatim} +[(0, 12), (0, 13)] +\end{verbatim} product bonds broken:\begin{verbatim} -[(0, 9), (0, 10)] +[(0, 1), (0, 6)] \end{verbatim} @@ -11308,25 +11436,25 @@ Terminal.KEEP \end{verbatim} $$ -1 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/1.pdf}} +69 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/69.pdf}} + -41 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/41.pdf}} -\xrightarrow[0.09]{0.87} -68 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/68.pdf}} +95 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/95.pdf}} +\xrightarrow[0.20]{2.04} +33 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/33.pdf}} + -90 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/90.pdf}} +89 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/89.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(1, 12), (1, 13)] +[(0, 12), (0, 13)] \end{verbatim} product bonds broken:\begin{verbatim} -[(1, 0), (1, 1)] +[(0, 1), (0, 6)] \end{verbatim} @@ -11340,25 +11468,25 @@ Terminal.KEEP \end{verbatim} $$ -16 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/16.pdf}} +69 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/69.pdf}} + -67 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/67.pdf}} -\xrightarrow[0.02]{0.16} -4 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/4.pdf}} +95 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/95.pdf}} +\xrightarrow[0.04]{0.40} +34 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/34.pdf}} + -42 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/42.pdf}} +88 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/88.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(0, 0), (0, 23)] +[(0, 12), (0, 13)] \end{verbatim} product bonds broken:\begin{verbatim} -[(1, 9), (1, 25)] +[(0, 1), (0, 6)] \end{verbatim} @@ -11372,25 +11500,25 @@ Terminal.KEEP \end{verbatim} $$ +70 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/70.pdf}} ++ +95 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/95.pdf}} +\xrightarrow[0.09]{0.88} 33 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/33.pdf}} + -87 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/87.pdf}} -\xrightarrow[0.16]{1.62} -67 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/67.pdf}} -+ -94 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/94.pdf}} +89 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/89.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(0, 1), (0, 6)] +[(0, 9), (0, 10)] \end{verbatim} product bonds broken:\begin{verbatim} -[(0, 12), (0, 13)] +[(0, 1), (0, 6)] \end{verbatim} @@ -11404,22 +11532,22 @@ Terminal.KEEP \end{verbatim} $$ -2 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/2.pdf}} +1 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/1.pdf}} + -42 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/42.pdf}} -\xrightarrow[0.06]{0.56} -68 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/68.pdf}} +44 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/44.pdf}} +\xrightarrow[0.02]{0.17} +85 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/85.pdf}} + -92 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/92.pdf}} +91 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/91.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(1, 12), (1, 13)] +[(1, 0), (1, 1)] \end{verbatim} product bonds broken:\begin{verbatim} [(1, 0), (1, 1)] @@ -11436,25 +11564,25 @@ Terminal.KEEP \end{verbatim} $$ -16 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/16.pdf}} +85 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/85.pdf}} + -67 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/67.pdf}} -\xrightarrow[0.06]{0.61} -4 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/4.pdf}} +92 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/92.pdf}} +\xrightarrow[0.20]{1.96} +1 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/1.pdf}} + -93 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/93.pdf}} +45 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/45.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(0, 0), (0, 23)] +[(1, 0), (1, 1)] \end{verbatim} product bonds broken:\begin{verbatim} -[(1, 12), (1, 25)] +[(1, 0), (1, 1)] \end{verbatim} @@ -11468,25 +11596,25 @@ Terminal.KEEP \end{verbatim} $$ -33 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/33.pdf}} +86 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/86.pdf}} + -87 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/87.pdf}} -\xrightarrow[0.23]{2.30} -68 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/68.pdf}} +92 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/92.pdf}} +\xrightarrow[0.15]{1.49} +2 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/2.pdf}} + -94 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/94.pdf}} +45 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/45.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(0, 1), (0, 6)] +[(1, 0), (1, 1)] \end{verbatim} product bonds broken:\begin{verbatim} -[(0, 9), (0, 10)] +[(1, 0), (1, 1)] \end{verbatim} @@ -11503,22 +11631,22 @@ 1 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/1.pdf}} + -33 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/33.pdf}} -\xrightarrow[0.08]{0.75} +41 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/41.pdf}} +\xrightarrow[0.02]{0.18} +67 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/67.pdf}} ++ 90 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/90.pdf}} -+ -95 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/95.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(1, 1), (1, 6)] +[(1, 9), (1, 25)] \end{verbatim} product bonds broken:\begin{verbatim} -[(0, 0), (0, 1)] +[(1, 0), (1, 1)] \end{verbatim} @@ -11535,22 +11663,22 @@ 1 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/1.pdf}} + -33 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/33.pdf}} -\xrightarrow[0.07]{0.72} -91 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/91.pdf}} +41 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/41.pdf}} +\xrightarrow[0.09]{0.87} +68 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/68.pdf}} + -94 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/94.pdf}} +90 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/90.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(1, 1), (1, 6)] +[(1, 12), (1, 13)] \end{verbatim} product bonds broken:\begin{verbatim} -[(0, 0), (0, 1)] +[(1, 0), (1, 1)] \end{verbatim} @@ -11567,22 +11695,22 @@ 2 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/2.pdf}} + -34 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/34.pdf}} -\xrightarrow[0.02]{0.17} +42 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/42.pdf}} +\xrightarrow[0.06]{0.56} +68 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/68.pdf}} ++ 92 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/92.pdf}} -+ -95 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/95.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(1, 1), (1, 6)] +[(1, 12), (1, 13)] \end{verbatim} product bonds broken:\begin{verbatim} -[(0, 0), (0, 1)] +[(1, 0), (1, 1)] \end{verbatim} @@ -11660,25 +11788,25 @@ Terminal.KEEP \end{verbatim} $$ -1 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/1.pdf}} +67 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/67.pdf}} + -28 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/28.pdf}} -\xrightarrow[0.04]{0.42} -17 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/17.pdf}} +92 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/92.pdf}} +\xrightarrow[0.01]{0.13} +2 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/2.pdf}} + -91 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/91.pdf}} +42 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/42.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(1, 2), (1, 3)] +[(1, 0), (1, 1)] \end{verbatim} product bonds broken:\begin{verbatim} -[(1, 0), (1, 1)] +[(1, 9), (1, 25)] \end{verbatim} @@ -11692,25 +11820,25 @@ Terminal.KEEP \end{verbatim} $$ -1 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/1.pdf}} +67 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/67.pdf}} + -28 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/28.pdf}} -\xrightarrow[0.21]{2.15} -18 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/18.pdf}} +92 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/92.pdf}} +\xrightarrow[0.06]{0.57} +2 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/2.pdf}} + -90 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/90.pdf}} +93 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/93.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(1, 2), (1, 3)] +[(1, 0), (1, 1)] \end{verbatim} product bonds broken:\begin{verbatim} -[(1, 0), (1, 1)] +[(1, 12), (1, 25)] \end{verbatim} @@ -11724,25 +11852,25 @@ Terminal.KEEP \end{verbatim} $$ -67 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/67.pdf}} +1 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/1.pdf}} + -92 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/92.pdf}} -\xrightarrow[0.01]{0.13} -2 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/2.pdf}} +33 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/33.pdf}} +\xrightarrow[0.08]{0.75} +90 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/90.pdf}} + -42 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/42.pdf}} +95 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/95.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(1, 0), (1, 1)] +[(1, 1), (1, 6)] \end{verbatim} product bonds broken:\begin{verbatim} -[(1, 9), (1, 25)] +[(0, 0), (0, 1)] \end{verbatim} @@ -11756,25 +11884,25 @@ Terminal.KEEP \end{verbatim} $$ -67 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/67.pdf}} -+ -92 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/92.pdf}} -\xrightarrow[0.06]{0.57} -2 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/2.pdf}} +1 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/1.pdf}} + -93 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/93.pdf}} +33 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/33.pdf}} +\xrightarrow[0.07]{0.72} +91 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/91.pdf}} ++ +94 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/94.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(1, 0), (1, 1)] +[(1, 1), (1, 6)] \end{verbatim} product bonds broken:\begin{verbatim} -[(1, 12), (1, 25)] +[(0, 0), (0, 1)] \end{verbatim} @@ -11791,22 +11919,22 @@ 2 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/2.pdf}} + -29 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/29.pdf}} -\xrightarrow[0.37]{3.68} -18 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/18.pdf}} -+ +34 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/34.pdf}} +\xrightarrow[0.02]{0.17} 92 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/92.pdf}} ++ +95 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/95.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(1, 2), (1, 3)] +[(1, 1), (1, 6)] \end{verbatim} product bonds broken:\begin{verbatim} -[(1, 0), (1, 1)] +[(0, 0), (0, 1)] \end{verbatim} @@ -11820,25 +11948,25 @@ Terminal.KEEP \end{verbatim} $$ -34 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/34.pdf}} +1 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/1.pdf}} + -88 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/88.pdf}} -\xrightarrow[0.08]{0.77} -70 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/70.pdf}} +28 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/28.pdf}} +\xrightarrow[0.04]{0.42} +17 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/17.pdf}} + -95 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/95.pdf}} +91 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/91.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(0, 1), (0, 6)] +[(1, 2), (1, 3)] \end{verbatim} product bonds broken:\begin{verbatim} -[(0, 9), (0, 10)] +[(1, 0), (1, 1)] \end{verbatim} @@ -11852,25 +11980,25 @@ Terminal.KEEP \end{verbatim} $$ -4 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/4.pdf}} +1 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/1.pdf}} + -69 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/69.pdf}} -\xrightarrow[0.05]{0.54} -16 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/16.pdf}} +28 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/28.pdf}} +\xrightarrow[0.21]{2.15} +18 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/18.pdf}} + -88 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/88.pdf}} +90 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/90.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(1, 12), (1, 13)] +[(1, 2), (1, 3)] \end{verbatim} product bonds broken:\begin{verbatim} -[(0, 0), (0, 23)] +[(1, 0), (1, 1)] \end{verbatim} @@ -11884,25 +12012,25 @@ Terminal.KEEP \end{verbatim} $$ -65 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/65.pdf}} +2 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/2.pdf}} + -96 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/96.pdf}} -\xrightarrow[0.04]{0.41} -32 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/32.pdf}} +29 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/29.pdf}} +\xrightarrow[0.37]{3.68} +18 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/18.pdf}} + -89 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/89.pdf}} +92 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/92.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(0, 12), (0, 13)] +[(1, 2), (1, 3)] \end{verbatim} product bonds broken:\begin{verbatim} -[(0, 1), (0, 6)] +[(1, 0), (1, 1)] \end{verbatim} @@ -11916,25 +12044,25 @@ Terminal.KEEP \end{verbatim} $$ -1 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/1.pdf}} +4 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/4.pdf}} + -26 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/26.pdf}} -\xrightarrow[0.17]{1.69} -32 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/32.pdf}} +69 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/69.pdf}} +\xrightarrow[0.05]{0.54} +16 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/16.pdf}} + -91 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/91.pdf}} +88 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/88.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(1, 0), (1, 13)] +[(1, 12), (1, 13)] \end{verbatim} product bonds broken:\begin{verbatim} -[(1, 0), (1, 1)] +[(0, 0), (0, 23)] \end{verbatim} @@ -11948,25 +12076,25 @@ Terminal.KEEP \end{verbatim} $$ -1 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/1.pdf}} +16 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/16.pdf}} + -27 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/27.pdf}} -\xrightarrow[0.11]{1.14} -32 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/32.pdf}} +88 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/88.pdf}} +\xrightarrow[0.06]{0.63} +4 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/4.pdf}} + -92 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/92.pdf}} +70 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/70.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(1, 0), (1, 13)] +[(0, 0), (0, 23)] \end{verbatim} product bonds broken:\begin{verbatim} -[(1, 0), (1, 1)] +[(1, 9), (1, 10)] \end{verbatim} @@ -11980,17 +12108,17 @@ Terminal.KEEP \end{verbatim} $$ -33 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/33.pdf}} +18 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/18.pdf}} + 92 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/92.pdf}} -\xrightarrow[0.10]{1.00} -2 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/2.pdf}} +\xrightarrow[0.21]{2.12} +1 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/1.pdf}} + -27 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/27.pdf}} +30 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/30.pdf}} $$ @@ -11998,7 +12126,7 @@ [(1, 0), (1, 1)] \end{verbatim} product bonds broken:\begin{verbatim} -[(1, 0), (1, 13)] +[(1, 2), (1, 3)] \end{verbatim} @@ -12012,17 +12140,17 @@ Terminal.KEEP \end{verbatim} $$ -34 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/34.pdf}} +19 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/19.pdf}} + -90 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/90.pdf}} -\xrightarrow[0.04]{0.42} +91 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/91.pdf}} +\xrightarrow[0.54]{5.37} 1 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/1.pdf}} + -27 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/27.pdf}} +30 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/30.pdf}} $$ @@ -12030,7 +12158,7 @@ [(1, 0), (1, 1)] \end{verbatim} product bonds broken:\begin{verbatim} -[(1, 0), (1, 13)] +[(1, 2), (1, 3)] \end{verbatim} @@ -12044,25 +12172,25 @@ Terminal.KEEP \end{verbatim} $$ -66 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/66.pdf}} +1 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/1.pdf}} + -96 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/96.pdf}} -\xrightarrow[0.13]{1.26} +26 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/26.pdf}} +\xrightarrow[0.17]{1.69} 32 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/32.pdf}} + -89 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/89.pdf}} +91 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/91.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(0, 9), (0, 10)] +[(1, 0), (1, 13)] \end{verbatim} product bonds broken:\begin{verbatim} -[(0, 1), (0, 6)] +[(1, 0), (1, 1)] \end{verbatim} @@ -12076,25 +12204,25 @@ Terminal.KEEP \end{verbatim} $$ -16 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/16.pdf}} +1 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/1.pdf}} + -88 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/88.pdf}} -\xrightarrow[0.06]{0.63} -4 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/4.pdf}} +27 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/27.pdf}} +\xrightarrow[0.11]{1.14} +32 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/32.pdf}} + -70 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/70.pdf}} +92 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/92.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(0, 0), (0, 23)] +[(1, 0), (1, 13)] \end{verbatim} product bonds broken:\begin{verbatim} -[(1, 9), (1, 10)] +[(1, 0), (1, 1)] \end{verbatim} @@ -12108,25 +12236,25 @@ Terminal.KEEP \end{verbatim} $$ -2 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/2.pdf}} -+ -16 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/16.pdf}} -\xrightarrow[0.00]{0.03} -4 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/4.pdf}} +33 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/33.pdf}} + 92 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/92.pdf}} +\xrightarrow[0.10]{1.00} +2 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/2.pdf}} ++ +27 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/27.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(1, 0), (1, 23)] +[(1, 0), (1, 1)] \end{verbatim} product bonds broken:\begin{verbatim} -[(1, 0), (1, 1)] +[(1, 0), (1, 13)] \end{verbatim} @@ -12140,17 +12268,17 @@ Terminal.KEEP \end{verbatim} $$ -18 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/18.pdf}} +34 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/34.pdf}} + -92 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/92.pdf}} -\xrightarrow[0.21]{2.12} +90 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/90.pdf}} +\xrightarrow[0.04]{0.42} 1 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/1.pdf}} + -30 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/30.pdf}} +27 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/27.pdf}} $$ @@ -12158,7 +12286,7 @@ [(1, 0), (1, 1)] \end{verbatim} product bonds broken:\begin{verbatim} -[(1, 2), (1, 3)] +[(1, 0), (1, 13)] \end{verbatim} @@ -12172,25 +12300,25 @@ Terminal.KEEP \end{verbatim} $$ -19 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/19.pdf}} -+ -91 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/91.pdf}} -\xrightarrow[0.54]{5.37} -1 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/1.pdf}} +2 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/2.pdf}} + -30 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/30.pdf}} +16 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/16.pdf}} +\xrightarrow[0.00]{0.03} +4 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/4.pdf}} ++ +92 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/92.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(1, 0), (1, 1)] +[(1, 0), (1, 23)] \end{verbatim} product bonds broken:\begin{verbatim} -[(1, 2), (1, 3)] +[(1, 0), (1, 1)] \end{verbatim} @@ -12292,38 +12420,6 @@ -\vspace{1cm} -\begin{verbatim} -more than one reactant -fragment matching found -free_energy dG is above threshold=0.0 -Terminal.KEEP -\end{verbatim} -$$ -69 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/69.pdf}} -+ -94 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/94.pdf}} -\xrightarrow[0.06]{0.57} -32 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/32.pdf}} -+ -89 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/89.pdf}} -$$ - - -reactant bonds broken:\begin{verbatim} -[(0, 12), (0, 13)] -\end{verbatim} -product bonds broken:\begin{verbatim} -[(0, 1), (0, 6)] -\end{verbatim} - - - - \vspace{1cm} \begin{verbatim} more than one reactant @@ -12364,17 +12460,17 @@ Terminal.KEEP \end{verbatim} $$ -69 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/69.pdf}} +41 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/41.pdf}} + -95 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/95.pdf}} -\xrightarrow[0.20]{2.04} -33 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/33.pdf}} +83 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/83.pdf}} +\xrightarrow[0.18]{1.78} +61 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/61.pdf}} + -89 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/89.pdf}} +66 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/66.pdf}} $$ @@ -12382,7 +12478,7 @@ [(0, 12), (0, 13)] \end{verbatim} product bonds broken:\begin{verbatim} -[(0, 1), (0, 6)] +[(0, 2), (0, 17)] \end{verbatim} @@ -12420,38 +12516,6 @@ -\vspace{1cm} -\begin{verbatim} -more than one reactant -fragment matching found -free_energy dG is above threshold=0.0 -Terminal.KEEP -\end{verbatim} -$$ -69 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/69.pdf}} -+ -95 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/95.pdf}} -\xrightarrow[0.04]{0.40} -34 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/34.pdf}} -+ -88 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/88.pdf}} -$$ - - -reactant bonds broken:\begin{verbatim} -[(0, 12), (0, 13)] -\end{verbatim} -product bonds broken:\begin{verbatim} -[(0, 1), (0, 6)] -\end{verbatim} - - - - \vspace{1cm} \begin{verbatim} more than one reactant @@ -12492,25 +12556,25 @@ Terminal.KEEP \end{verbatim} $$ -41 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/41.pdf}} +28 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/28.pdf}} + 83 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/83.pdf}} -\xrightarrow[0.18]{1.78} +\xrightarrow[0.34]{3.44} +17 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/17.pdf}} ++ 61 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/61.pdf}} -+ -66 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/66.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(0, 12), (0, 13)] +[(0, 2), (0, 3)] \end{verbatim} product bonds broken:\begin{verbatim} -[(0, 2), (0, 17)] +[(1, 2), (1, 17)] \end{verbatim} @@ -12524,25 +12588,25 @@ Terminal.KEEP \end{verbatim} $$ -70 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/70.pdf}} +29 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/29.pdf}} + -95 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/95.pdf}} -\xrightarrow[0.09]{0.88} -33 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/33.pdf}} +83 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/83.pdf}} +\xrightarrow[0.21]{2.11} +18 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/18.pdf}} + -89 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/89.pdf}} +61 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/61.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(0, 9), (0, 10)] +[(0, 2), (0, 3)] \end{verbatim} product bonds broken:\begin{verbatim} -[(0, 1), (0, 6)] +[(1, 2), (1, 17)] \end{verbatim} @@ -12556,25 +12620,25 @@ Terminal.KEEP \end{verbatim} $$ -28 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/28.pdf}} +67 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/67.pdf}} + 83 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/83.pdf}} -\xrightarrow[0.34]{3.44} -17 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/17.pdf}} -+ +\xrightarrow[0.21]{2.13} 61 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/61.pdf}} ++ +87 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/87.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(0, 2), (0, 3)] +[(0, 12), (0, 13)] \end{verbatim} product bonds broken:\begin{verbatim} -[(1, 2), (1, 17)] +[(0, 2), (0, 17)] \end{verbatim} @@ -12588,25 +12652,25 @@ Terminal.KEEP \end{verbatim} $$ -29 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/29.pdf}} +68 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/68.pdf}} + 83 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/83.pdf}} -\xrightarrow[0.21]{2.11} -18 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/18.pdf}} -+ +\xrightarrow[0.14]{1.44} 61 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/61.pdf}} ++ +87 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/87.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(0, 2), (0, 3)] +[(0, 9), (0, 10)] \end{verbatim} product bonds broken:\begin{verbatim} -[(1, 2), (1, 17)] +[(0, 2), (0, 17)] \end{verbatim} @@ -12766,25 +12830,25 @@ Terminal.KEEP \end{verbatim} $$ -67 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/67.pdf}} +4 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/4.pdf}} + -83 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/83.pdf}} -\xrightarrow[0.21]{2.13} -61 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/61.pdf}} +82 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/82.pdf}} +\xrightarrow[0.08]{0.83} +16 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/16.pdf}} + -87 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/87.pdf}} +49 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/49.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(0, 12), (0, 13)] +[(1, 0), (1, 11)] \end{verbatim} product bonds broken:\begin{verbatim} -[(0, 2), (0, 17)] +[(0, 0), (0, 23)] \end{verbatim} @@ -12792,65 +12856,101 @@ \vspace{1cm} \begin{verbatim} -more than one reactant fragment matching found free_energy dG is above threshold=0.0 Terminal.KEEP \end{verbatim} $$ -4 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/4.pdf}} +71 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/71.pdf}} +\xrightarrow[0.00]{1.56} +20 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/20.pdf}} + -82 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/82.pdf}} -\xrightarrow[0.08]{0.83} -16 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/16.pdf}} +56 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/56.pdf}} +$$ + + +reactant bonds broken:\begin{verbatim} +[(0, 2), (0, 5)] +\end{verbatim} +product bonds broken: + + + +\vspace{1cm} +\begin{verbatim} +fragment matching found +free_energy dG is above threshold=0.0 +Terminal.KEEP +\end{verbatim} +$$ +71 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/71.pdf}} +\xrightarrow[0.00]{1.58} +21 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/21.pdf}} + -49 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/49.pdf}} +55 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/55.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(1, 0), (1, 11)] +[(0, 2), (0, 5)] \end{verbatim} -product bonds broken:\begin{verbatim} -[(0, 0), (0, 23)] +product bonds broken: + + + +\vspace{1cm} +\begin{verbatim} +fragment matching found +free_energy dG is above threshold=0.0 +Terminal.KEEP \end{verbatim} +$$ +71 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/71.pdf}} +\xrightarrow[0.00]{2.09} +32 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/32.pdf}} ++ +47 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/47.pdf}} +$$ +reactant bonds broken:\begin{verbatim} +[(0, 0), (0, 2)] +\end{verbatim} +product bonds broken: + \vspace{1cm} \begin{verbatim} -more than one reactant fragment matching found free_energy dG is above threshold=0.0 Terminal.KEEP \end{verbatim} $$ -68 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/68.pdf}} -+ -83 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/83.pdf}} -\xrightarrow[0.14]{1.44} -61 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/61.pdf}} +73 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/73.pdf}} +\xrightarrow[0.00]{2.85} +21 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/21.pdf}} + -87 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/87.pdf}} +57 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/57.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(0, 9), (0, 10)] -\end{verbatim} -product bonds broken:\begin{verbatim} -[(0, 2), (0, 17)] +[(0, 2), (0, 5)] \end{verbatim} - +product bonds broken: @@ -12861,11 +12961,11 @@ Terminal.KEEP \end{verbatim} $$ -71 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/71.pdf}} -\xrightarrow[0.00]{1.56} -20 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/20.pdf}} +73 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/73.pdf}} +\xrightarrow[0.00]{0.03} +22 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/22.pdf}} + 56 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/56.pdf}} @@ -12886,19 +12986,19 @@ Terminal.KEEP \end{verbatim} $$ -65 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/65.pdf}} -\xrightarrow[0.00]{2.09} -58 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/58.pdf}} +73 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/73.pdf}} +\xrightarrow[0.00]{0.19} +34 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/34.pdf}} + -86 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/86.pdf}} +47 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/47.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(0, 11), (0, 12)] +[(0, 0), (0, 2)] \end{verbatim} product bonds broken: @@ -12906,74 +13006,120 @@ \vspace{1cm} \begin{verbatim} +more than one reactant fragment matching found free_energy dG is above threshold=0.0 Terminal.KEEP \end{verbatim} $$ -71 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/71.pdf}} -\xrightarrow[0.00]{1.58} -21 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/21.pdf}} +33 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/33.pdf}} + -55 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/55.pdf}} +46 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/46.pdf}} +\xrightarrow[0.16]{1.64} +74 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/74.pdf}} ++ +95 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/95.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(0, 2), (0, 5)] +[(0, 1), (0, 6)] +\end{verbatim} +product bonds broken:\begin{verbatim} +[(0, 0), (0, 1)] \end{verbatim} -product bonds broken: + \vspace{1cm} \begin{verbatim} +more than one reactant fragment matching found free_energy dG is above threshold=0.0 Terminal.KEEP \end{verbatim} $$ -65 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/65.pdf}} -\xrightarrow[0.00]{0.86} -59 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/59.pdf}} +33 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/33.pdf}} + -85 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/85.pdf}} +46 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/46.pdf}} +\xrightarrow[0.21]{2.14} +75 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/75.pdf}} ++ +94 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/94.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(0, 11), (0, 12)] +[(0, 1), (0, 6)] \end{verbatim} -product bonds broken: +product bonds broken:\begin{verbatim} +[(0, 0), (0, 1)] +\end{verbatim} + \vspace{1cm} \begin{verbatim} +more than one reactant fragment matching found free_energy dG is above threshold=0.0 Terminal.KEEP \end{verbatim} $$ -71 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/71.pdf}} -\xrightarrow[0.00]{2.09} -32 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/32.pdf}} +34 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/34.pdf}} + 47 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/47.pdf}} +\xrightarrow[0.04]{0.39} +76 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/76.pdf}} ++ +95 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/95.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(0, 0), (0, 2)] +[(0, 1), (0, 6)] +\end{verbatim} +product bonds broken:\begin{verbatim} +[(0, 0), (0, 1)] +\end{verbatim} + + + + +\vspace{1cm} +\begin{verbatim} +fragment matching found +free_energy dG is above threshold=0.0 +Terminal.KEEP +\end{verbatim} +$$ +65 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/65.pdf}} +\xrightarrow[0.00]{2.09} +58 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/58.pdf}} ++ +86 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/86.pdf}} +$$ + + +reactant bonds broken:\begin{verbatim} +[(0, 11), (0, 12)] \end{verbatim} product bonds broken: @@ -12986,19 +13132,19 @@ Terminal.KEEP \end{verbatim} $$ -54 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/54.pdf}} -\xrightarrow[0.00]{0.39} -47 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/47.pdf}} +65 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/65.pdf}} +\xrightarrow[0.00]{0.86} +59 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/59.pdf}} + -95 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/95.pdf}} +85 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/85.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(0, 0), (0, 2)] +[(0, 11), (0, 12)] \end{verbatim} product bonds broken: @@ -13036,19 +13182,19 @@ Terminal.KEEP \end{verbatim} $$ -73 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/73.pdf}} -\xrightarrow[0.00]{2.85} -21 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/21.pdf}} +54 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/54.pdf}} +\xrightarrow[0.00]{0.39} +47 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/47.pdf}} + -57 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/57.pdf}} +95 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/95.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(0, 2), (0, 5)] +[(0, 0), (0, 2)] \end{verbatim} product bonds broken: @@ -13111,19 +13257,19 @@ Terminal.KEEP \end{verbatim} $$ -73 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/73.pdf}} -\xrightarrow[0.00]{0.03} -22 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/22.pdf}} +53 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/53.pdf}} +\xrightarrow[0.00]{2.84} +4 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/4.pdf}} + -56 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/56.pdf}} +57 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/57.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(0, 2), (0, 5)] +[(0, 10), (0, 23)] \end{verbatim} product bonds broken: @@ -13212,66 +13358,9 @@ [(1, 0), (1, 11)] \end{verbatim} product bonds broken:\begin{verbatim} -[(1, 0), (1, 1)] -\end{verbatim} - - - - -\vspace{1cm} -\begin{verbatim} -more than one reactant -fragment matching found -free_energy dG is above threshold=0.0 -Terminal.KEEP -\end{verbatim} -$$ -1 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/1.pdf}} -+ -82 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/82.pdf}} -\xrightarrow[0.30]{2.99} -50 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/50.pdf}} -+ -90 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/90.pdf}} -$$ - - -reactant bonds broken:\begin{verbatim} -[(1, 0), (1, 11)] -\end{verbatim} -product bonds broken:\begin{verbatim} -[(1, 0), (1, 1)] -\end{verbatim} - - - - -\vspace{1cm} -\begin{verbatim} -fragment matching found -free_energy dG is above threshold=0.0 -Terminal.KEEP -\end{verbatim} -$$ -53 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/53.pdf}} -\xrightarrow[0.00]{2.84} -4 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/4.pdf}} -+ -57 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/57.pdf}} -$$ - - -reactant bonds broken:\begin{verbatim} -[(0, 10), (0, 23)] +[(1, 0), (1, 1)] \end{verbatim} -product bonds broken: + @@ -13283,17 +13372,17 @@ Terminal.KEEP \end{verbatim} $$ -2 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/2.pdf}} +1 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/1.pdf}} + 82 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/82.pdf}} -\xrightarrow[0.09]{0.86} -49 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/49.pdf}} +\xrightarrow[0.30]{2.99} +50 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/50.pdf}} + -92 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/92.pdf}} +90 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/90.pdf}} $$ @@ -13309,26 +13398,33 @@ \vspace{1cm} \begin{verbatim} +more than one reactant fragment matching found free_energy dG is above threshold=0.0 Terminal.KEEP \end{verbatim} $$ -73 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/73.pdf}} -\xrightarrow[0.00]{0.19} -34 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/34.pdf}} +2 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/2.pdf}} + -47 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/47.pdf}} +82 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/82.pdf}} +\xrightarrow[0.09]{0.86} +49 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/49.pdf}} ++ +92 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/92.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(0, 0), (0, 2)] +[(1, 0), (1, 11)] \end{verbatim} -product bonds broken: +product bonds broken:\begin{verbatim} +[(1, 0), (1, 1)] +\end{verbatim} + @@ -13359,33 +13455,26 @@ \vspace{1cm} \begin{verbatim} -more than one reactant fragment matching found free_energy dG is above threshold=0.0 Terminal.KEEP \end{verbatim} $$ -33 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/33.pdf}} -+ -46 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/46.pdf}} -\xrightarrow[0.16]{1.64} -74 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/74.pdf}} +30 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/30.pdf}} +\xrightarrow[0.00]{0.02} +5 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/5.pdf}} + -95 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/95.pdf}} +50 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/50.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(0, 1), (0, 6)] -\end{verbatim} -product bonds broken:\begin{verbatim} -[(0, 0), (0, 1)] +[(0, 0), (0, 12)] \end{verbatim} - +product bonds broken: @@ -13446,63 +13535,6 @@ -\vspace{1cm} -\begin{verbatim} -fragment matching found -free_energy dG is above threshold=0.0 -Terminal.KEEP -\end{verbatim} -$$ -30 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/30.pdf}} -\xrightarrow[0.00]{0.02} -5 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/5.pdf}} -+ -50 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/50.pdf}} -$$ - - -reactant bonds broken:\begin{verbatim} -[(0, 0), (0, 12)] -\end{verbatim} -product bonds broken: - - - -\vspace{1cm} -\begin{verbatim} -more than one reactant -fragment matching found -free_energy dG is above threshold=0.0 -Terminal.KEEP -\end{verbatim} -$$ -33 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/33.pdf}} -+ -46 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/46.pdf}} -\xrightarrow[0.21]{2.14} -75 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/75.pdf}} -+ -94 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/94.pdf}} -$$ - - -reactant bonds broken:\begin{verbatim} -[(0, 1), (0, 6)] -\end{verbatim} -product bonds broken:\begin{verbatim} -[(0, 0), (0, 1)] -\end{verbatim} - - - - \vspace{1cm} \begin{verbatim} more than one reactant @@ -13535,38 +13567,6 @@ -\vspace{1cm} -\begin{verbatim} -more than one reactant -fragment matching found -free_energy dG is above threshold=0.0 -Terminal.KEEP -\end{verbatim} -$$ -34 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/34.pdf}} -+ -47 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/47.pdf}} -\xrightarrow[0.04]{0.39} -76 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/76.pdf}} -+ -95 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/95.pdf}} -$$ - - -reactant bonds broken:\begin{verbatim} -[(0, 1), (0, 6)] -\end{verbatim} -product bonds broken:\begin{verbatim} -[(0, 0), (0, 1)] -\end{verbatim} - - - - \vspace{1cm} \begin{verbatim} fragment matching found @@ -13592,56 +13592,6 @@ -\vspace{1cm} -\begin{verbatim} -fragment matching found -free_energy dG is above threshold=0.0 -Terminal.KEEP -\end{verbatim} -$$ -10 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/10.pdf}} -\xrightarrow[0.00]{1.84} -20 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/20.pdf}} -+ -47 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/47.pdf}} -$$ - - -reactant bonds broken:\begin{verbatim} -[(0, 0), (0, 21)] -\end{verbatim} -product bonds broken: - - - -\vspace{1cm} -\begin{verbatim} -fragment matching found -free_energy dG is above threshold=0.0 -Terminal.KEEP -\end{verbatim} -$$ -1 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/1.pdf}} -\xrightarrow[0.00]{1.15} -55 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/55.pdf}} -+ -98 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/98.pdf}} -$$ - - -reactant bonds broken:\begin{verbatim} -[(0, 1), (0, 4)] -\end{verbatim} -product bonds broken: - - - \vspace{1cm} \begin{verbatim} fragment matching found @@ -13820,5 +13770,55 @@ +\vspace{1cm} +\begin{verbatim} +fragment matching found +free_energy dG is above threshold=0.0 +Terminal.KEEP +\end{verbatim} +$$ +10 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/10.pdf}} +\xrightarrow[0.00]{1.84} +20 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/20.pdf}} ++ +47 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/47.pdf}} +$$ + + +reactant bonds broken:\begin{verbatim} +[(0, 0), (0, 21)] +\end{verbatim} +product bonds broken: + + + +\vspace{1cm} +\begin{verbatim} +fragment matching found +free_energy dG is above threshold=0.0 +Terminal.KEEP +\end{verbatim} +$$ +1 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/1.pdf}} +\xrightarrow[0.00]{1.15} +55 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/55.pdf}} ++ +98 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/98.pdf}} +$$ + + +reactant bonds broken:\begin{verbatim} +[(0, 1), (0, 4)] +\end{verbatim} +product bonds broken: + + + \vspace{1cm} \end{document} \ No newline at end of file diff --git a/euvl_phase1_test/reaction_tally.tex b/euvl_phase1_test/reaction_tally.tex index b2d5024..6d14011 100644 --- a/euvl_phase1_test/reaction_tally.tex +++ b/euvl_phase1_test/reaction_tally.tex @@ -15,7 +15,7 @@ -number of reactions which fired: 192 +number of reactions which fired: 183 @@ -23,14 +23,14 @@ -number of species observed: 74 +number of species observed: 73 -4362 occourances of: +4370 occurrences of: $$ -459: +438: 72 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/72.pdf}} + @@ -46,10 +46,10 @@ \vspace{1cm} -3601 occourances of: +3692 occurrences of: $$ -461: +439: 72 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/72.pdf}} \xrightarrow[0.00]{8.00} @@ -65,10 +65,10 @@ \vspace{1cm} -3564 occourances of: +3597 occurrences of: $$ -269: +262: 67 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/67.pdf}} + @@ -87,10 +87,10 @@ \vspace{1cm} -2794 occourances of: +2815 occurrences of: $$ -460: +451: 67 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/67.pdf}} + @@ -106,10 +106,10 @@ \vspace{1cm} -2430 occourances of: +2391 occurrences of: $$ -462: +452: 67 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/67.pdf}} \xrightarrow[0.00]{6.63} @@ -125,29 +125,10 @@ \vspace{1cm} -2315 occourances of: - -$$ -509: -29 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/29.pdf}} -+ -103 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/103.pdf}} -\xrightarrow[0.00]{-2.93} -28 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/28.pdf}} -$$ - - - -\vspace{1cm} - - -2282 occourances of: +2317 occurrences of: $$ -517: +514: 29 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/29.pdf}} \xrightarrow[0.00]{2.79} @@ -163,18 +144,18 @@ \vspace{1cm} -2165 occourances of: +2296 occurrences of: $$ -418: -83 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/83.pdf}} -\xrightarrow[0.00]{6.90} -84 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/84.pdf}} +512: +29 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/29.pdf}} + 103 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/103.pdf}} +\xrightarrow[0.00]{-2.93} +28 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/28.pdf}} $$ @@ -182,15 +163,15 @@ \vspace{1cm} -1964 occourances of: +2194 occurrences of: $$ -510: -29 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/29.pdf}} -\xrightarrow[0.00]{9.31} -30 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/30.pdf}} +419: +83 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/83.pdf}} +\xrightarrow[0.00]{6.90} +84 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/84.pdf}} + 103 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/103.pdf}} @@ -201,10 +182,10 @@ \vspace{1cm} -1831 occourances of: +1909 occurrences of: $$ -273: +263: 67 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/67.pdf}} + @@ -223,10 +204,29 @@ \vspace{1cm} -1652 occourances of: +1897 occurrences of: + +$$ +513: +29 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/29.pdf}} +\xrightarrow[0.00]{9.31} +30 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/30.pdf}} ++ +103 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/103.pdf}} +$$ + + + +\vspace{1cm} + + +1619 occurrences of: $$ -256: +258: 65 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/65.pdf}} + @@ -245,10 +245,10 @@ \vspace{1cm} -1101 occourances of: +1038 occurrences of: $$ -289: +267: 69 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/69.pdf}} + @@ -267,10 +267,10 @@ \vspace{1cm} -1046 occourances of: +1026 occurrences of: $$ -521: +516: 30 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/30.pdf}} \xrightarrow[0.00]{0.02} @@ -286,10 +286,10 @@ \vspace{1cm} -965 occourances of: +936 occurrences of: $$ -311: +286: 42 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/42.pdf}} + @@ -308,10 +308,10 @@ \vspace{1cm} -476 occourances of: +497 occurrences of: $$ -488: +442: 73 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/73.pdf}} \xrightarrow[0.00]{0.03} @@ -327,10 +327,10 @@ \vspace{1cm} -311 occourances of: +336 occurrences of: $$ -322: +323: 5 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/5.pdf}} + @@ -349,21 +349,40 @@ \vspace{1cm} -288 occourances of: +288 occurrences of: $$ -284: -15 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/15.pdf}} +443: +73 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/73.pdf}} +\xrightarrow[0.00]{0.19} +34 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/34.pdf}} + +47 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/47.pdf}} +$$ + + + +\vspace{1cm} + + +270 occurrences of: + +$$ +264: 67 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/67.pdf}} -\xrightarrow[0.04]{0.42} -42 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/42.pdf}} + -72 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/72.pdf}} +73 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/73.pdf}} +\xrightarrow[0.05]{0.55} +54 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/54.pdf}} ++ +93 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/93.pdf}} $$ @@ -371,10 +390,10 @@ \vspace{1cm} -282 occourances of: +260 occurrences of: $$ -433: +434: 71 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/71.pdf}} \xrightarrow[0.00]{0.30} @@ -390,21 +409,21 @@ \vspace{1cm} -277 occourances of: +235 occurrences of: $$ -274: +280: +15 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/15.pdf}} ++ 67 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/67.pdf}} +\xrightarrow[0.04]{0.42} +42 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/42.pdf}} + -73 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/73.pdf}} -\xrightarrow[0.05]{0.55} -54 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/54.pdf}} -+ -93 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/93.pdf}} +72 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/72.pdf}} $$ @@ -412,18 +431,18 @@ \vspace{1cm} -276 occourances of: +228 occurrences of: $$ -494: -73 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/73.pdf}} -\xrightarrow[0.00]{0.19} -34 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/34.pdf}} -+ +474: +54 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/54.pdf}} +\xrightarrow[0.00]{0.39} 47 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/47.pdf}} ++ +95 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/95.pdf}} $$ @@ -431,18 +450,18 @@ \vspace{1cm} -251 occourances of: +216 occurrences of: $$ -457: -54 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/54.pdf}} -\xrightarrow[0.00]{0.39} -47 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/47.pdf}} +485: +50 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/50.pdf}} + -95 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/95.pdf}} +103 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/103.pdf}} +\xrightarrow[0.00]{-6.58} +49 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/49.pdf}} $$ @@ -450,10 +469,10 @@ \vspace{1cm} -220 occourances of: +206 occurrences of: $$ -419: +420: 84 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/84.pdf}} + @@ -469,18 +488,18 @@ \vspace{1cm} -214 occourances of: +197 occurrences of: $$ -466: -73 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/73.pdf}} +540: +15 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/15.pdf}} +\xrightarrow[0.00]{0.33} +34 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/34.pdf}} + -103 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/103.pdf}} -\xrightarrow[0.00]{-8.00} -72 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/72.pdf}} +75 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/75.pdf}} $$ @@ -488,21 +507,21 @@ \vspace{1cm} -211 occourances of: +195 occurrences of: $$ -218: -28 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/28.pdf}} +67: +68 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/68.pdf}} ++ +69 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/69.pdf}} +\xrightarrow[0.00]{0.01} +42 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/42.pdf}} + 88 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/88.pdf}} -\xrightarrow[0.01]{0.08} -18 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/18.pdf}} -+ -68 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/68.pdf}} $$ @@ -510,18 +529,18 @@ \vspace{1cm} -185 occourances of: +191 occurrences of: $$ -477: -50 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/50.pdf}} +440: +73 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/73.pdf}} + 103 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/103.pdf}} -\xrightarrow[0.00]{-6.58} -49 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/49.pdf}} +\xrightarrow[0.00]{-8.00} +72 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/72.pdf}} $$ @@ -529,10 +548,10 @@ \vspace{1cm} -185 occourances of: +190 occurrences of: $$ -518: +515: 30 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/30.pdf}} + @@ -548,21 +567,21 @@ \vspace{1cm} -180 occourances of: +185 occurrences of: $$ -100: -68 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/68.pdf}} +205: +29 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/29.pdf}} + -69 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/69.pdf}} -\xrightarrow[0.00]{0.01} -42 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/42.pdf}} +87 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/87.pdf}} +\xrightarrow[0.07]{0.67} +18 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/18.pdf}} + -88 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/88.pdf}} +68 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/68.pdf}} $$ @@ -570,10 +589,10 @@ \vspace{1cm} -177 occourances of: +185 occurrences of: $$ -465: +455: 69 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/69.pdf}} + @@ -589,18 +608,18 @@ \vspace{1cm} -172 occourances of: +184 occurrences of: $$ -436: -65 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/65.pdf}} -\xrightarrow[0.00]{0.45} -67 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/67.pdf}} +435: +71 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/71.pdf}} +\xrightarrow[0.00]{1.56} +20 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/20.pdf}} + -103 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/103.pdf}} +56 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/56.pdf}} $$ @@ -608,16 +627,16 @@ \vspace{1cm} -171 occourances of: +180 occurrences of: $$ -224: -29 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/29.pdf}} +203: +28 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/28.pdf}} + -87 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/87.pdf}} -\xrightarrow[0.07]{0.67} +88 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/88.pdf}} +\xrightarrow[0.01]{0.08} 18 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/18.pdf}} + @@ -630,18 +649,18 @@ \vspace{1cm} -169 occourances of: +179 occurrences of: $$ -558: -15 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/15.pdf}} -\xrightarrow[0.00]{0.33} -34 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/34.pdf}} +447: +65 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/65.pdf}} +\xrightarrow[0.00]{0.45} +67 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/67.pdf}} + -75 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/75.pdf}} +103 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/103.pdf}} $$ @@ -649,10 +668,29 @@ \vspace{1cm} -168 occourances of: +173 occurrences of: $$ -447: +557: +4 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/4.pdf}} ++ +103 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/103.pdf}} +\xrightarrow[0.00]{-0.67} +3 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/3.pdf}} +$$ + + + +\vspace{1cm} + + +165 occurrences of: + +$$ +436: 71 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/71.pdf}} \xrightarrow[0.00]{1.58} @@ -668,18 +706,18 @@ \vspace{1cm} -167 occourances of: +152 occurrences of: $$ -435: -71 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/71.pdf}} -\xrightarrow[0.00]{1.56} -20 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/20.pdf}} +536: +14 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/14.pdf}} + -56 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/56.pdf}} +103 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/103.pdf}} +\xrightarrow[0.00]{-1.68} +13 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/13.pdf}} $$ @@ -687,10 +725,10 @@ \vspace{1cm} -166 occourances of: +152 occurrences of: $$ -456: +437: 71 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/71.pdf}} \xrightarrow[0.00]{2.09} @@ -706,18 +744,18 @@ \vspace{1cm} -165 occourances of: +148 occurrences of: $$ -548: -4 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/4.pdf}} +441: +73 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/73.pdf}} +\xrightarrow[0.00]{2.85} +21 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/21.pdf}} + -103 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/103.pdf}} -\xrightarrow[0.00]{-0.67} -3 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/3.pdf}} +57 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/57.pdf}} $$ @@ -725,37 +763,21 @@ \vspace{1cm} -163 occourances of: +144 occurrences of: $$ -538: -14 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/14.pdf}} +222: +28 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/28.pdf}} + -103 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/103.pdf}} -\xrightarrow[0.00]{-1.68} -13 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/13.pdf}} -$$ - - - -\vspace{1cm} - - -162 occourances of: - -$$ -469: -73 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/73.pdf}} -\xrightarrow[0.00]{2.85} -21 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/21.pdf}} +69 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/69.pdf}} +\xrightarrow[0.01]{0.10} +18 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/18.pdf}} + -57 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/57.pdf}} +42 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/42.pdf}} $$ @@ -763,10 +785,10 @@ \vspace{1cm} -150 occourances of: +144 occurrences of: $$ -455: +449: 65 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/65.pdf}} \xrightarrow[0.00]{0.86} @@ -782,10 +804,10 @@ \vspace{1cm} -141 occourances of: +129 occurrences of: $$ -550: +558: 4 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/4.pdf}} \xrightarrow[0.00]{6.54} @@ -801,21 +823,18 @@ \vspace{1cm} -141 occourances of: +124 occurrences of: $$ -233: -28 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/28.pdf}} -+ -69 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/69.pdf}} -\xrightarrow[0.01]{0.10} -18 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/18.pdf}} +538: +14 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/14.pdf}} +\xrightarrow[0.00]{2.45} +2 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/2.pdf}} + -42 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/42.pdf}} +101 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/101.pdf}} $$ @@ -823,18 +842,18 @@ \vspace{1cm} -127 occourances of: +122 occurrences of: $$ -554: -14 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/14.pdf}} -\xrightarrow[0.00]{2.45} -2 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/2.pdf}} +448: +65 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/65.pdf}} +\xrightarrow[0.00]{2.09} +58 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/58.pdf}} + -101 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/101.pdf}} +86 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/86.pdf}} $$ @@ -842,21 +861,18 @@ \vspace{1cm} -124 occourances of: +114 occurrences of: $$ -94: -67 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/67.pdf}} -+ +456: 69 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/69.pdf}} -\xrightarrow[0.07]{0.70} -42 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/42.pdf}} +\xrightarrow[0.00]{4.26} +60 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/60.pdf}} + -88 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/88.pdf}} +86 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/86.pdf}} $$ @@ -864,10 +880,10 @@ \vspace{1cm} -121 occourances of: +113 occurrences of: $$ -508: +511: 28 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/28.pdf}} \xrightarrow[0.00]{2.93} @@ -883,29 +899,7 @@ \vspace{1cm} -112 occourances of: - -$$ -102: -88 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/88.pdf}} -+ -93 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/93.pdf}} -\xrightarrow[0.00]{0.02} -67 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/67.pdf}} -+ -70 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/70.pdf}} -$$ - - - -\vspace{1cm} - - -108 occourances of: +112 occurrences of: $$ 1: @@ -927,18 +921,18 @@ \vspace{1cm} -106 occourances of: +108 occurrences of: $$ -468: -69 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/69.pdf}} -\xrightarrow[0.00]{4.26} -60 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/60.pdf}} +537: +14 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/14.pdf}} +\xrightarrow[0.00]{3.69} +15 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/15.pdf}} + -86 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/86.pdf}} +103 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/103.pdf}} $$ @@ -946,10 +940,10 @@ \vspace{1cm} -106 occourances of: +102 occurrences of: $$ -412: +413: 87 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/87.pdf}} \xrightarrow[0.00]{3.51} @@ -965,18 +959,21 @@ \vspace{1cm} -105 occourances of: +101 occurrences of: $$ -446: -65 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/65.pdf}} -\xrightarrow[0.00]{2.09} -58 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/58.pdf}} +63: +67 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/67.pdf}} + -86 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/86.pdf}} +69 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/69.pdf}} +\xrightarrow[0.07]{0.70} +42 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/42.pdf}} ++ +88 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/88.pdf}} $$ @@ -984,18 +981,21 @@ \vspace{1cm} -94 occourances of: +98 occurrences of: $$ -539: -14 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/14.pdf}} -\xrightarrow[0.00]{3.69} -15 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/15.pdf}} +69: +88 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/88.pdf}} + -103 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/103.pdf}} +93 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/93.pdf}} +\xrightarrow[0.00]{0.02} +67 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/67.pdf}} ++ +70 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/70.pdf}} $$ @@ -1003,10 +1003,10 @@ \vspace{1cm} -87 occourances of: +90 occurrences of: $$ -174: +151: 34 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/34.pdf}} + @@ -1025,62 +1025,18 @@ \vspace{1cm} -82 occourances of: +82 occurrences of: $$ -353: -16 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/16.pdf}} -+ -67 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/67.pdf}} -\xrightarrow[0.02]{0.16} -4 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/4.pdf}} -+ +495: 42 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/42.pdf}} -$$ - - - -\vspace{1cm} - - -81 occourances of: - -$$ -557: -15 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/15.pdf}} + 103 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/103.pdf}} -\xrightarrow[0.00]{-3.69} -14 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/14.pdf}} -$$ - - - -\vspace{1cm} - - -79 occourances of: - -$$ -326: -4 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/4.pdf}} -+ -15 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/15.pdf}} -\xrightarrow[0.03]{0.26} -16 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/16.pdf}} -+ -72 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/72.pdf}} +\xrightarrow[0.00]{-4.77} +41 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/41.pdf}} $$ @@ -1088,10 +1044,10 @@ \vspace{1cm} -78 occourances of: +75 occurrences of: $$ -95: +101: 42 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/42.pdf}} + @@ -1110,18 +1066,18 @@ \vspace{1cm} -77 occourances of: +74 occurrences of: $$ -487: -42 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/42.pdf}} +539: +15 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/15.pdf}} + 103 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/103.pdf}} -\xrightarrow[0.00]{-4.77} -41 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/41.pdf}} +\xrightarrow[0.00]{-3.69} +14 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/14.pdf}} $$ @@ -1129,21 +1085,21 @@ \vspace{1cm} -62 occourances of: +73 occurrences of: $$ -314: +333: 16 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/16.pdf}} + -54 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/54.pdf}} -\xrightarrow[0.01]{0.06} +67 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/67.pdf}} +\xrightarrow[0.02]{0.16} 4 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/4.pdf}} + -73 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/73.pdf}} +42 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/42.pdf}} $$ @@ -1151,18 +1107,21 @@ \vspace{1cm} -58 occourances of: +70 occurrences of: $$ -413: -88 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/88.pdf}} -+ -103 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/103.pdf}} -\xrightarrow[0.00]{-3.51} -87 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/87.pdf}} +326: +4 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/4.pdf}} ++ +15 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/15.pdf}} +\xrightarrow[0.03]{0.26} +16 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/16.pdf}} ++ +72 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/72.pdf}} $$ @@ -1170,21 +1129,18 @@ \vspace{1cm} -49 occourances of: +60 occurrences of: $$ -179: -28 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/28.pdf}} -+ -28 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/28.pdf}} -\xrightarrow[0.04]{0.40} -18 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/18.pdf}} +414: +88 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/88.pdf}} + -78 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/78.pdf}} +103 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/103.pdf}} +\xrightarrow[0.00]{-3.51} +87 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/87.pdf}} $$ @@ -1192,18 +1148,18 @@ \vspace{1cm} -44 occourances of: +55 occurrences of: $$ -270: -15 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/15.pdf}} +314: +16 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/16.pdf}} + 54 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/54.pdf}} -\xrightarrow[0.03]{0.32} -72 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/72.pdf}} +\xrightarrow[0.01]{0.06} +4 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/4.pdf}} + 73 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/73.pdf}} @@ -1214,10 +1170,10 @@ \vspace{1cm} -43 occourances of: +47 occurrences of: $$ -236: +255: 14 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/14.pdf}} + @@ -1236,21 +1192,21 @@ \vspace{1cm} -42 occourances of: +43 occurrences of: $$ -287: -15 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/15.pdf}} +525: +4 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/4.pdf}} + -67 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/67.pdf}} -\xrightarrow[0.09]{0.87} -72 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/72.pdf}} +34 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/34.pdf}} +\xrightarrow[0.01]{0.14} +16 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/16.pdf}} + -93 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/93.pdf}} +95 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/95.pdf}} $$ @@ -1258,21 +1214,21 @@ \vspace{1cm} -39 occourances of: +41 occurrences of: $$ -235: -15 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/15.pdf}} +185: +28 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/28.pdf}} + -95 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/95.pdf}} -\xrightarrow[0.01]{0.12} -34 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/34.pdf}} +28 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/28.pdf}} +\xrightarrow[0.04]{0.40} +18 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/18.pdf}} + -72 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/72.pdf}} +78 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/78.pdf}} $$ @@ -1280,7 +1236,7 @@ \vspace{1cm} -37 occourances of: +40 occurrences of: $$ 329: @@ -1302,21 +1258,21 @@ \vspace{1cm} -33 occourances of: +40 occurrences of: $$ -524: -4 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/4.pdf}} +287: +15 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/15.pdf}} + -34 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/34.pdf}} -\xrightarrow[0.01]{0.14} -16 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/16.pdf}} +54 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/54.pdf}} +\xrightarrow[0.03]{0.32} +72 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/72.pdf}} + -95 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/95.pdf}} +73 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/73.pdf}} $$ @@ -1324,10 +1280,32 @@ \vspace{1cm} -32 occourances of: +33 occurrences of: $$ -414: +281: +15 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/15.pdf}} ++ +67 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/67.pdf}} +\xrightarrow[0.09]{0.87} +72 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/72.pdf}} ++ +93 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/93.pdf}} +$$ + + + +\vspace{1cm} + + +33 occurrences of: + +$$ +415: 88 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/88.pdf}} \xrightarrow[0.00]{6.68} @@ -1343,18 +1321,21 @@ \vspace{1cm} -32 occourances of: +31 occurrences of: $$ -463: -68 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/68.pdf}} +249: +15 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/15.pdf}} + -103 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/103.pdf}} -\xrightarrow[0.00]{-1.98} -66 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/66.pdf}} +95 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/95.pdf}} +\xrightarrow[0.01]{0.12} +34 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/34.pdf}} ++ +72 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/72.pdf}} $$ @@ -1362,21 +1343,18 @@ \vspace{1cm} -30 occourances of: +24 occurrences of: $$ -33: -75 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/75.pdf}} -+ -87 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/87.pdf}} -\xrightarrow[0.02]{0.16} -46 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/46.pdf}} -+ +453: 68 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/68.pdf}} ++ +103 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/103.pdf}} +\xrightarrow[0.00]{-1.98} +66 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/66.pdf}} $$ @@ -1384,10 +1362,10 @@ \vspace{1cm} -29 occourances of: +22 occurrences of: $$ -479: +487: 47 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/47.pdf}} + @@ -1403,18 +1381,21 @@ \vspace{1cm} -27 occourances of: +21 occurrences of: $$ -552: -5 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/5.pdf}} +33: +75 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/75.pdf}} + -103 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/103.pdf}} -\xrightarrow[0.00]{-6.54} -4 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/4.pdf}} +87 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/87.pdf}} +\xrightarrow[0.02]{0.16} +46 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/46.pdf}} ++ +68 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/68.pdf}} $$ @@ -1422,18 +1403,21 @@ \vspace{1cm} -25 occourances of: +21 occurrences of: $$ -526: -21 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/21.pdf}} +145: +34 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/34.pdf}} + -103 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/103.pdf}} -\xrightarrow[0.00]{-1.96} -20 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/20.pdf}} +65 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/65.pdf}} +\xrightarrow[0.01]{0.11} +27 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/27.pdf}} ++ +87 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/87.pdf}} $$ @@ -1441,18 +1425,21 @@ \vspace{1cm} -22 occourances of: +20 occurrences of: $$ -452: -56 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/56.pdf}} +257: +42 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/42.pdf}} + -103 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/103.pdf}} -\xrightarrow[0.00]{-1.94} -55 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/55.pdf}} +54 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/54.pdf}} +\xrightarrow[0.06]{0.58} +68 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/68.pdf}} ++ +73 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/73.pdf}} $$ @@ -1460,10 +1447,10 @@ \vspace{1cm} -20 occourances of: +20 occurrences of: $$ -490: +496: 93 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/93.pdf}} \xrightarrow[0.00]{1.57} @@ -1479,18 +1466,18 @@ \vspace{1cm} -19 occourances of: +19 occurrences of: $$ -545: -3 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/3.pdf}} -\xrightarrow[0.00]{0.67} -4 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/4.pdf}} +559: +5 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/5.pdf}} + 103 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/103.pdf}} +\xrightarrow[0.00]{-6.54} +4 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/4.pdf}} $$ @@ -1498,10 +1485,10 @@ \vspace{1cm} -18 occourances of: +18 occurrences of: $$ -398: +400: 94 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/94.pdf}} \xrightarrow[0.00]{-0.10} @@ -1517,21 +1504,21 @@ \vspace{1cm} -18 occourances of: +18 occurrences of: $$ -163: -34 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/34.pdf}} +376: +4 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/4.pdf}} + -65 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/65.pdf}} -\xrightarrow[0.01]{0.11} -27 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/27.pdf}} +69 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/69.pdf}} +\xrightarrow[0.05]{0.54} +16 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/16.pdf}} + -87 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/87.pdf}} +88 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/88.pdf}} $$ @@ -1539,21 +1526,21 @@ \vspace{1cm} -17 occourances of: +17 occurrences of: $$ -370: -4 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/4.pdf}} -+ -69 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/69.pdf}} -\xrightarrow[0.05]{0.54} -16 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/16.pdf}} +55: +42 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/42.pdf}} + 88 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/88.pdf}} +\xrightarrow[0.05]{0.47} +67 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/67.pdf}} ++ +70 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/70.pdf}} $$ @@ -1561,21 +1548,18 @@ \vspace{1cm} -17 occourances of: +16 occurrences of: $$ -234: -28 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/28.pdf}} -+ -69 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/69.pdf}} -\xrightarrow[0.05]{0.54} -18 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/18.pdf}} +527: +21 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/21.pdf}} + -93 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/93.pdf}} +103 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/103.pdf}} +\xrightarrow[0.00]{-1.96} +20 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/20.pdf}} $$ @@ -1583,21 +1567,40 @@ \vspace{1cm} -17 occourances of: +16 occurrences of: $$ -96: -67 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/67.pdf}} +418: +86 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/86.pdf}} + -69 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/69.pdf}} -\xrightarrow[0.11]{1.14} -88 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/88.pdf}} +103 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/103.pdf}} +\xrightarrow[0.00]{-3.98} +85 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/85.pdf}} +$$ + + + +\vspace{1cm} + + +16 occurrences of: + +$$ +311: +47 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/47.pdf}} + -93 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/93.pdf}} +73 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/73.pdf}} +\xrightarrow[0.02]{0.19} +54 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/54.pdf}} ++ +76 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/76.pdf}} $$ @@ -1605,18 +1608,40 @@ \vspace{1cm} -16 occourances of: +16 occurrences of: $$ -530: -18 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/18.pdf}} +529: +22 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/22.pdf}} + 103 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/103.pdf}} -\xrightarrow[0.00]{-1.60} -17 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/17.pdf}} +\xrightarrow[0.00]{-4.81} +21 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/21.pdf}} +$$ + + + +\vspace{1cm} + + +15 occurrences of: + +$$ +106: +34 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/34.pdf}} ++ +54 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/54.pdf}} +\xrightarrow[0.02]{0.20} +73 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/73.pdf}} ++ +95 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/95.pdf}} $$ @@ -1624,10 +1649,10 @@ \vspace{1cm} -16 occourances of: +15 occurrences of: $$ -332: +330: 4 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/4.pdf}} + @@ -1646,18 +1671,18 @@ \vspace{1cm} -16 occourances of: +15 occurrences of: $$ -536: -13 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/13.pdf}} -\xrightarrow[0.00]{0.62} -1 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/1.pdf}} +556: +3 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/3.pdf}} +\xrightarrow[0.00]{0.67} +4 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/4.pdf}} + -101 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/101.pdf}} +103 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/103.pdf}} $$ @@ -1665,21 +1690,21 @@ \vspace{1cm} -15 occourances of: +14 occurrences of: $$ -4: -54 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/54.pdf}} +64: +67 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/67.pdf}} + 69 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/69.pdf}} -\xrightarrow[0.06]{0.60} -73 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/73.pdf}} -+ +\xrightarrow[0.11]{1.14} 88 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/88.pdf}} ++ +93 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/93.pdf}} $$ @@ -1687,18 +1712,18 @@ \vspace{1cm} -14 occourances of: +14 occurrences of: $$ -528: -22 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/22.pdf}} +510: +34 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/34.pdf}} + 103 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/103.pdf}} -\xrightarrow[0.00]{-4.81} -21 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/21.pdf}} +\xrightarrow[0.00]{-5.04} +33 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/33.pdf}} $$ @@ -1706,21 +1731,18 @@ \vspace{1cm} -14 occourances of: +14 occurrences of: $$ -309: -47 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/47.pdf}} -+ -73 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/73.pdf}} -\xrightarrow[0.02]{0.19} -54 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/54.pdf}} +535: +13 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/13.pdf}} +\xrightarrow[0.00]{0.62} +1 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/1.pdf}} + -76 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/76.pdf}} +101 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/101.pdf}} $$ @@ -1728,18 +1750,18 @@ \vspace{1cm} -14 occourances of: +13 occurrences of: $$ -103: -67 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/67.pdf}} +223: +28 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/28.pdf}} + -76 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/76.pdf}} -\xrightarrow[0.04]{0.35} -47 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/47.pdf}} +69 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/69.pdf}} +\xrightarrow[0.05]{0.54} +18 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/18.pdf}} + 93 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/93.pdf}} @@ -1750,10 +1772,10 @@ \vspace{1cm} -14 occourances of: +13 occurrences of: $$ -454: +473: 57 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/57.pdf}} + @@ -1769,21 +1791,21 @@ \vspace{1cm} -13 occourances of: +12 occurrences of: $$ -260: -65 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/65.pdf}} +103: +67 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/67.pdf}} + -73 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/73.pdf}} -\xrightarrow[0.07]{0.66} -13 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/13.pdf}} +76 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/76.pdf}} +\xrightarrow[0.04]{0.35} +47 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/47.pdf}} + -89 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/89.pdf}} +93 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/93.pdf}} $$ @@ -1791,15 +1813,37 @@ \vspace{1cm} -13 occourances of: +12 occurrences of: $$ -504: -32 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/32.pdf}} -\xrightarrow[0.00]{1.37} -33 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/33.pdf}} +300: +27 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/27.pdf}} ++ +72 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/72.pdf}} +\xrightarrow[0.00]{0.05} +14 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/14.pdf}} ++ +34 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/34.pdf}} +$$ + + + +\vspace{1cm} + + +12 occurrences of: + +$$ +454: +68 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/68.pdf}} +\xrightarrow[0.00]{7.12} +70 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/70.pdf}} + 103 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/103.pdf}} @@ -1810,21 +1854,21 @@ \vspace{1cm} -12 occourances of: +11 occurrences of: $$ -176: +254: 34 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/34.pdf}} + -67 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/67.pdf}} -\xrightarrow[0.07]{0.75} -93 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/93.pdf}} +71 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/71.pdf}} +\xrightarrow[0.03]{0.28} +15 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/15.pdf}} + -95 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/95.pdf}} +94 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/94.pdf}} $$ @@ -1832,21 +1876,21 @@ \vspace{1cm} -12 occourances of: +11 occurrences of: $$ -248: -42 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/42.pdf}} -+ -54 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/54.pdf}} -\xrightarrow[0.06]{0.58} -68 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/68.pdf}} +259: +65 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/65.pdf}} + 73 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/73.pdf}} +\xrightarrow[0.07]{0.66} +13 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/13.pdf}} ++ +89 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/89.pdf}} $$ @@ -1854,21 +1898,18 @@ \vspace{1cm} -11 occourances of: +11 occurrences of: $$ -271: -15 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/15.pdf}} -+ -65 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/65.pdf}} -\xrightarrow[0.06]{0.57} -42 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/42.pdf}} +469: +60 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/60.pdf}} + -71 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/71.pdf}} +103 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/103.pdf}} +\xrightarrow[0.00]{-6.50} +59 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/59.pdf}} $$ @@ -1876,21 +1917,18 @@ \vspace{1cm} -11 occourances of: +11 occurrences of: $$ -295: -27 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/27.pdf}} -+ -72 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/72.pdf}} -\xrightarrow[0.00]{0.05} -14 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/14.pdf}} +528: +21 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/21.pdf}} +\xrightarrow[0.00]{4.81} +22 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/22.pdf}} + -34 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/34.pdf}} +103 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/103.pdf}} $$ @@ -1898,21 +1936,21 @@ \vspace{1cm} -11 occourances of: +11 occurrences of: $$ -66: -42 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/42.pdf}} +384: +2 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/2.pdf}} + -88 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/88.pdf}} -\xrightarrow[0.05]{0.47} -67 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/67.pdf}} +16 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/16.pdf}} +\xrightarrow[0.00]{0.03} +4 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/4.pdf}} + -70 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/70.pdf}} +92 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/92.pdf}} $$ diff --git a/euvl_phase1_test/rn.sqlite b/euvl_phase1_test/rn.sqlite index 40b7008..c289571 100644 Binary files a/euvl_phase1_test/rn.sqlite and b/euvl_phase1_test/rn.sqlite differ diff --git a/euvl_phase1_test/unfiltered_species_report.tex b/euvl_phase1_test/unfiltered_species_report.tex new file mode 100644 index 0000000..2c7a24a --- /dev/null +++ b/euvl_phase1_test/unfiltered_species_report.tex @@ -0,0 +1,2381 @@ +\documentclass{article} +\usepackage{graphicx} +\usepackage[margin=1cm]{geometry} +\usepackage{amsmath} +\pagenumbering{gobble} +\begin{document} +\setlength\parindent{0pt} + + +species report + +\begin{verbatim} + +Terminal.KEEP +\end{verbatim} + + +number: 0 + + + +entry id: 8ff2bab9dc4f026763d936962021aa43-C10F9H5O3S1-0-1 + + + +uncorrected free energy: -51881.05943951432 + + + +formula: C10 F9 H5 O3 S1 + +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures_unfiltered/0.pdf}} + +\vspace{1cm} +\begin{verbatim} + +Terminal.KEEP +\end{verbatim} + + +number: 1 + + + +entry id: af0733dcda4cc3494970c99618faad2a-C4H9O1-m1-1 + + + +uncorrected free energy: -6340.551332453043 + + + +formula: C4 H9 O1 + +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures_unfiltered/1.pdf}} + +\vspace{1cm} +\begin{verbatim} + +Terminal.KEEP +\end{verbatim} + + +number: 2 + + + +entry id: 22ad4d4343667554c075f68e93c5c419-C4H9O1-0-2 + + + +uncorrected free energy: -6337.038072173203 + + + +formula: C4 H9 O1 + +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures_unfiltered/2.pdf}} + +\vspace{1cm} +\begin{verbatim} + +Terminal.KEEP +\end{verbatim} + + +number: 3 + + + +entry id: db346580544213066bb82c346b1fff3a-C12H10S1-m1-2 + + + +uncorrected free energy: -23437.70611996324 + + + +formula: C12 H10 S1 + +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures_unfiltered/3.pdf}} + +\vspace{1cm} +\begin{verbatim} + +Terminal.KEEP +\end{verbatim} + + +number: 4 + + + +entry id: bc3641376a32020a0345549009577712-C12H10S1-0-1 + + + +uncorrected free energy: -23437.039385831296 + + + +formula: C12 H10 S1 + +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures_unfiltered/4.pdf}} + +\vspace{1cm} +\begin{verbatim} + +Terminal.KEEP +\end{verbatim} + + +number: 5 + + + +entry id: e524cbadc1649d2535bdee66942e4dba-C12H10S1-1-2 + + + +uncorrected free energy: -23430.495352141443 + + + +formula: C12 H10 S1 + +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures_unfiltered/5.pdf}} + +\vspace{1cm} +\begin{verbatim} + +Terminal.KEEP +\end{verbatim} + + +number: 6 + + + +entry id: ebf68aa2f6d4a07641dcb570486ea86d-O3S1-m2-1 + + + +uncorrected free energy: -16981.496435199475 + + + +formula: O3 S1 + +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures_unfiltered/6.pdf}} + +\vspace{1cm} +\begin{verbatim} + +Terminal.KEEP +\end{verbatim} + + +number: 7 + + + +entry id: 4fae9656fce777fe31f204f123fa4921-O3S1-m1-2 + + + +uncorrected free energy: -16980.038738980504 + + + +formula: O3 S1 + +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures_unfiltered/7.pdf}} + +\vspace{1cm} +\begin{verbatim} + +Terminal.KEEP +\end{verbatim} + + +number: 8 + + + +entry id: 06ec8edf4209e7e492b8e563b71afbeb-O3S1-0-1 + + + +uncorrected free energy: -16976.242933424644 + + + +formula: O3 S1 + +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures_unfiltered/8.pdf}} + +\vspace{1cm} +\begin{verbatim} + +Terminal.KEEP +\end{verbatim} + + +number: 9 + + + +entry id: 9100204becf2990b58581af65fd3b696-O3S1-1-2 + + + +uncorrected free energy: -16965.25336250728 + + + +formula: O3 S1 + +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures_unfiltered/9.pdf}} + +\vspace{1cm} +\begin{verbatim} + +Terminal.KEEP +\end{verbatim} + + +number: 10 + + + +entry id: ce02829e6764a1bba90ddba3eabc3c6a-C15H28O4-m1-2 + + + +uncorrected free energy: -24191.628919694365 + + + +formula: C15 H28 O4 + +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures_unfiltered/10.pdf}} + +\vspace{1cm} +\begin{verbatim} + +Terminal.KEEP +\end{verbatim} + + +number: 11 + + + +entry id: affe6041ffe648433daa714b2d39dd72-C15H28O4-0-1 + + + +uncorrected free energy: -24191.05630934911 + + + +formula: C15 H28 O4 + +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures_unfiltered/11.pdf}} + +\vspace{1cm} +\begin{verbatim} + +Terminal.KEEP +\end{verbatim} + + +number: 12 + + + +entry id: 8425c6cfd18e1596203ba12ba792a30e-C15H28O4-1-2 + + + +uncorrected free energy: -24182.736968514186 + + + +formula: C15 H28 O4 + +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures_unfiltered/12.pdf}} + +\vspace{1cm} +\begin{verbatim} + +Terminal.KEEP +\end{verbatim} + + +number: 13 + + + +entry id: 89f973ce0822f0ba97d90b7b4377454f-C10H21O2-m1-1 + + + +uncorrected free energy: -14799.207919582419 + + + +formula: C10 H21 O2 + +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures_unfiltered/13.pdf}} + +\vspace{1cm} +\begin{verbatim} + +Terminal.KEEP +\end{verbatim} + + +number: 14 + + + +entry id: 8a7e8693a6998655afc6c3cd13715281-C10H21O2-0-2 + + + +uncorrected free energy: -14797.527224036618 + + + +formula: C10 H21 O2 + +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures_unfiltered/14.pdf}} + +\vspace{1cm} +\begin{verbatim} + +Terminal.KEEP +\end{verbatim} + + +number: 15 + + + +entry id: 2c137c7f62959d051173f4c02a854944-C10H21O2-1-1 + + + +uncorrected free energy: -14793.836633812178 + + + +formula: C10 H21 O2 + +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures_unfiltered/15.pdf}} + +\vspace{1cm} +\begin{verbatim} + +Terminal.KEEP +\end{verbatim} + + +number: 16 + + + +entry id: 2f65c8c819c26044f8a1b94755ad77b1-C12H11S1-1-1 + + + +uncorrected free energy: -23446.885503395588 + + + +formula: C12 H11 S1 + +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures_unfiltered/16.pdf}} + +\vspace{1cm} +\begin{verbatim} + +Terminal.KEEP +\end{verbatim} + + +number: 17 + + + +entry id: e51d163ce60f39a477fbac74bf153e6e-C18H14S1-m1-2 + + + +uncorrected free energy: -29720.276875044165 + + + +formula: C18 H14 S1 + +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures_unfiltered/17.pdf}} + +\vspace{1cm} +\begin{verbatim} + +Terminal.KEEP +\end{verbatim} + + +number: 18 + + + +entry id: d7c3b045b53266f82e25ae3098e29d4f-C18H14S1-0-1 + + + +uncorrected free energy: -29718.678399679367 + + + +formula: C18 H14 S1 + +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures_unfiltered/18.pdf}} + +\vspace{1cm} +\begin{verbatim} + +Terminal.KEEP +\end{verbatim} + + +number: 19 + + + +entry id: 2aa3c4ee4b19f7b7953edb0df41b416f-C18H14S1-1-2 + + + +uncorrected free energy: -29713.82662078988 + + + +formula: C18 H14 S1 + +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures_unfiltered/19.pdf}} + +\vspace{1cm} +\begin{verbatim} + +Terminal.KEEP +\end{verbatim} + + +number: 20 + + + +entry id: bf707048f238a54366b2e58f3544e82f-C9H17O2-m1-1 + + + +uncorrected free energy: -13699.256050742573 + + + +formula: C9 H17 O2 + 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