From f37dad29e6a921dfe69c0520780b42b460721369 Mon Sep 17 00:00:00 2001 From: samblau Date: Fri, 3 Nov 2023 08:10:34 -0700 Subject: [PATCH] Revert euvl_phase1_test files --- euvl_phase1_test/.DS_Store | Bin 0 -> 6148 bytes euvl_phase1_test/buckets.sqlite | Bin 229376 -> 229376 bytes euvl_phase1_test/dummy.tex | 7 - euvl_phase1_test/final_state_report.tex | 282 +- euvl_phase1_test/initial_state.sqlite | Bin 974848 -> 970752 bytes euvl_phase1_test/mol_entries.pickle | Bin 1162248 -> 1152570 bytes euvl_phase1_test/mol_pictures/0.pdf | Bin 7267 -> 14220 bytes euvl_phase1_test/mol_pictures/1.pdf | Bin 5758 -> 19442 bytes euvl_phase1_test/mol_pictures/10.pdf | Bin 9653 -> 23366 bytes euvl_phase1_test/mol_pictures/100.pdf | Bin 6312 -> 20012 bytes euvl_phase1_test/mol_pictures/101.pdf | Bin 6125 -> 13052 bytes euvl_phase1_test/mol_pictures/102.pdf | Bin 6243 -> 19913 bytes euvl_phase1_test/mol_pictures/103.pdf | Bin 3250 -> 14861 bytes euvl_phase1_test/mol_pictures/11.pdf | Bin 9467 -> 16401 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zWHG15&naY;dg6y3f2W-Mp{mV*YkD`w#uF`O;7usW)ycSZ=d_A_^?-0Ygasn$NZ)QM}1@7JImGD}X&P0D7e%eYn!flvH4M{%h!IhK9#Z&Zp%E=o~`V z2_3r|HS}}O85SiEJVk9q#kX$Du*Krp;n%9o;rgHqFb8*{5ZG1E6?T@Ld|V?vn&an zi-xz&p&h=VjYVL)K@E4hk~uvgL5Hkjg42D^X5MRdqK@fR2|DSz^2_AGcBtXy>oSXH zy46TZ_8F-J+n)06ypGWbF>k=f!My$tz(c6w6I|frrE&QYD0_@La5Jyl&&fm*3 zIG#b`c~xeFGg!{Je`=%VS{!{FKR}qFFMroa=g2@rzYJsJpa`LE?a{n9v9svDXKw(Iv{2!RS zJd#MK4Iv=@`$P_|_~#8M)E_(q5`NOb|BQq{%ESM_6cv&Gjmbe_zkP%Lou(X8{*NGX z3JNFh;9o)feKBr0tS{*2i!pNx!2+;<8ffa}byEKmXTbDV!FBM?UI6SQlau|gZxP1V VKgbvB43a~^5g<`fO(Qhu{{SB-rON;S diff --git a/euvl_phase1_test/reaction_report.tex b/euvl_phase1_test/reaction_report.tex index 83e2848..e2741b0 100644 --- a/euvl_phase1_test/reaction_report.tex +++ b/euvl_phase1_test/reaction_report.tex @@ -172,25 +172,25 @@ Terminal.KEEP \end{verbatim} $$ -73 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/73.pdf}} +48 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/48.pdf}} + -88 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/88.pdf}} -\xrightarrow[0.06]{0.57} -54 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/54.pdf}} +82 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/82.pdf}} +\xrightarrow[0.14]{1.41} +50 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/50.pdf}} + -70 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/70.pdf}} +80 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/80.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(0, 3), (0, 10)] +[(1, 0), (1, 11)] \end{verbatim} product bonds broken:\begin{verbatim} -[(1, 9), (1, 10)] +[(1, 0), (1, 11)] \end{verbatim} @@ -207,22 +207,22 @@ 48 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/48.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}} -+ +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}} $$ reactant bonds broken:\begin{verbatim} -[(1, 0), (1, 11)] +[(1, 12), (1, 13)] \end{verbatim} product bonds broken:\begin{verbatim} -[(1, 0), (1, 11)] +[(0, 0), (0, 11)] \end{verbatim} @@ -260,38 +260,6 @@ -\vspace{1cm} -\begin{verbatim} -more than one reactant -fragment matching found -free_energy dG is above threshold=0.0 -Terminal.KEEP -\end{verbatim} -$$ -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}} -$$ - - -reactant bonds broken:\begin{verbatim} -[(1, 12), (1, 13)] -\end{verbatim} -product bonds broken:\begin{verbatim} -[(0, 0), (0, 11)] -\end{verbatim} - - - - \vspace{1cm} \begin{verbatim} more than one reactant @@ -431,14 +399,14 @@ 81 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/81.pdf}} + -87 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/87.pdf}} -\xrightarrow[0.27]{2.70} +83 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/83.pdf}} +\xrightarrow[0.41]{4.14} 48 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/48.pdf}} + -68 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/68.pdf}} +61 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/61.pdf}} $$ @@ -446,7 +414,7 @@ [(0, 0), (0, 11)] \end{verbatim} product bonds broken:\begin{verbatim} -[(1, 9), (1, 10)] +[(1, 2), (1, 17)] \end{verbatim} @@ -460,17 +428,17 @@ Terminal.KEEP \end{verbatim} $$ -82 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/82.pdf}} +81 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/81.pdf}} + 87 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/87.pdf}} -\xrightarrow[0.11]{1.05} +\xrightarrow[0.27]{2.70} 48 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/48.pdf}} + -69 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/69.pdf}} +68 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/68.pdf}} $$ @@ -478,7 +446,7 @@ [(0, 0), (0, 11)] \end{verbatim} product bonds broken:\begin{verbatim} -[(1, 12), (1, 13)] +[(1, 9), (1, 10)] \end{verbatim} @@ -492,14 +460,14 @@ Terminal.KEEP \end{verbatim} $$ -82 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/82.pdf}} +73 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/73.pdf}} + -87 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/87.pdf}} -\xrightarrow[0.22]{2.22} -48 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/48.pdf}} +88 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/88.pdf}} +\xrightarrow[0.06]{0.57} +54 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/54.pdf}} + 70 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/70.pdf}} @@ -507,7 +475,7 @@ reactant bonds broken:\begin{verbatim} -[(0, 0), (0, 11)] +[(0, 3), (0, 10)] \end{verbatim} product bonds broken:\begin{verbatim} [(1, 9), (1, 10)] @@ -524,25 +492,25 @@ Terminal.KEEP \end{verbatim} $$ -82 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/82.pdf}} +46 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/46.pdf}} + -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}} +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}} + -65 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/65.pdf}} +75 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/75.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(0, 0), (0, 11)] +[(1, 0), (1, 11)] \end{verbatim} product bonds broken:\begin{verbatim} -[(1, 12), (1, 13)] +[(1, 0), (1, 1)] \end{verbatim} @@ -556,25 +524,25 @@ Terminal.KEEP \end{verbatim} $$ +46 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/46.pdf}} ++ 82 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/82.pdf}} +\xrightarrow[0.33]{3.32} +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[0.25]{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}} +76 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/76.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(0, 0), (0, 11)] +[(1, 0), (1, 11)] \end{verbatim} product bonds broken:\begin{verbatim} -[(1, 9), (1, 10)] +[(1, 0), (1, 1)] \end{verbatim} @@ -588,25 +556,25 @@ Terminal.KEEP \end{verbatim} $$ +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[0.39]{3.88} +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[0.03]{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}} +74 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/74.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(0, 0), (0, 11)] +[(1, 0), (1, 11)] \end{verbatim} product bonds broken:\begin{verbatim} -[(1, 12), (1, 13)] +[(1, 0), (1, 1)] \end{verbatim} @@ -620,25 +588,25 @@ Terminal.KEEP \end{verbatim} $$ +47 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/47.pdf}} ++ 82 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/82.pdf}} -+ -88 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/88.pdf}} -\xrightarrow[0.15]{1.46} +\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}} +76 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/76.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(0, 0), (0, 11)] +[(1, 0), (1, 11)] \end{verbatim} product bonds broken:\begin{verbatim} -[(1, 9), (1, 10)] +[(1, 0), (1, 1)] \end{verbatim} @@ -652,25 +620,25 @@ Terminal.KEEP \end{verbatim} $$ -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}} +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}} $$ reactant bonds broken:\begin{verbatim} -[(0, 0), (0, 11)] +[(1, 12), (1, 13)] \end{verbatim} product bonds broken:\begin{verbatim} -[(1, 12), (1, 13)] +[(0, 0), (0, 1)] \end{verbatim} @@ -684,25 +652,25 @@ Terminal.KEEP \end{verbatim} $$ -82 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/82.pdf}} +46 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/46.pdf}} + -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}} +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}} + -68 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/68.pdf}} +89 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/89.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(0, 0), (0, 11)] +[(1, 12), (1, 13)] \end{verbatim} product bonds broken:\begin{verbatim} -[(1, 9), (1, 10)] +[(0, 0), (0, 1)] \end{verbatim} @@ -716,14 +684,14 @@ Terminal.KEEP \end{verbatim} $$ -81 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/81.pdf}} +75 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/75.pdf}} + 83 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/83.pdf}} -\xrightarrow[0.41]{4.14} -48 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/48.pdf}} +\xrightarrow[0.16]{1.61} +46 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/46.pdf}} + 61 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/61.pdf}} @@ -731,7 +699,7 @@ reactant bonds broken:\begin{verbatim} -[(0, 0), (0, 11)] +[(0, 0), (0, 1)] \end{verbatim} product bonds broken:\begin{verbatim} [(1, 2), (1, 17)] @@ -751,22 +719,22 @@ 46 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/46.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}} +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}} + -75 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/75.pdf}} +87 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/87.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(1, 0), (1, 11)] +[(1, 12), (1, 13)] \end{verbatim} product bonds broken:\begin{verbatim} -[(1, 0), (1, 1)] +[(0, 0), (0, 1)] \end{verbatim} @@ -783,22 +751,22 @@ 46 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/46.pdf}} + -82 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/82.pdf}} -\xrightarrow[0.33]{3.32} -48 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/48.pdf}} +70 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/70.pdf}} +\xrightarrow[0.25]{2.52} +74 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/74.pdf}} + -76 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/76.pdf}} +89 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/89.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(1, 0), (1, 11)] +[(1, 9), (1, 10)] \end{verbatim} product bonds broken:\begin{verbatim} -[(1, 0), (1, 1)] +[(0, 0), (0, 1)] \end{verbatim} @@ -812,25 +780,25 @@ Terminal.KEEP \end{verbatim} $$ -46 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/46.pdf}} -+ 82 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/82.pdf}} -\xrightarrow[0.39]{3.88} -50 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/50.pdf}} + -74 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/74.pdf}} +87 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/87.pdf}} +\xrightarrow[0.11]{1.05} +48 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/48.pdf}} ++ +69 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/69.pdf}} $$ 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} @@ -844,25 +812,25 @@ Terminal.KEEP \end{verbatim} $$ -47 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/47.pdf}} -+ -82 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/82.pdf}} -\xrightarrow[0.11]{1.08} -49 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/49.pdf}} +46 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/46.pdf}} + +70 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/70.pdf}} +\xrightarrow[0.11]{1.10} 76 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/76.pdf}} ++ +87 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/87.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(1, 0), (1, 11)] +[(1, 9), (1, 10)] \end{verbatim} product bonds broken:\begin{verbatim} -[(1, 0), (1, 1)] +[(0, 0), (0, 1)] \end{verbatim} @@ -876,25 +844,25 @@ Terminal.KEEP \end{verbatim} $$ -46 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/46.pdf}} -+ -67 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/67.pdf}} -\xrightarrow[0.05]{0.52} -75 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/75.pdf}} +82 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/82.pdf}} + 87 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/87.pdf}} +\xrightarrow[0.22]{2.22} +48 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/48.pdf}} ++ +70 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/70.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(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} @@ -908,17 +876,17 @@ Terminal.KEEP \end{verbatim} $$ -46 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/46.pdf}} +47 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/47.pdf}} + 69 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/69.pdf}} -\xrightarrow[0.37]{3.69} -74 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/74.pdf}} +\xrightarrow[0.08]{0.79} +76 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/76.pdf}} + -89 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/89.pdf}} +88 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/88.pdf}} $$ @@ -940,25 +908,25 @@ Terminal.KEEP \end{verbatim} $$ -46 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/46.pdf}} -+ -69 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/69.pdf}} -\xrightarrow[0.23]{2.27} -76 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/76.pdf}} +82 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/82.pdf}} + 87 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/87.pdf}} +\xrightarrow[0.33]{3.30} +50 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/50.pdf}} ++ +65 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/65.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(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} @@ -972,25 +940,25 @@ Terminal.KEEP \end{verbatim} $$ -46 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/46.pdf}} +44 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/44.pdf}} + -70 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/70.pdf}} -\xrightarrow[0.25]{2.52} -74 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/74.pdf}} +87 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/87.pdf}} +\xrightarrow[0.11]{1.07} +67 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/67.pdf}} + -89 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/89.pdf}} +85 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/85.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(1, 9), (1, 10)] +[(0, 0), (0, 1)] \end{verbatim} product bonds broken:\begin{verbatim} -[(0, 0), (0, 1)] +[(0, 12), (0, 13)] \end{verbatim} @@ -1004,25 +972,25 @@ Terminal.KEEP \end{verbatim} $$ -46 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/46.pdf}} -+ -70 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/70.pdf}} -\xrightarrow[0.11]{1.10} -76 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/76.pdf}} +82 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/82.pdf}} + 87 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/87.pdf}} +\xrightarrow[0.25]{2.45} +50 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/50.pdf}} ++ +66 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/66.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(1, 9), (1, 10)] +[(0, 0), (0, 11)] \end{verbatim} product bonds broken:\begin{verbatim} -[(0, 0), (0, 1)] +[(1, 9), (1, 10)] \end{verbatim} @@ -1036,25 +1004,25 @@ Terminal.KEEP \end{verbatim} $$ -47 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/47.pdf}} +44 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/44.pdf}} + -69 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/69.pdf}} -\xrightarrow[0.08]{0.79} -76 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/76.pdf}} +87 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/87.pdf}} +\xrightarrow[0.18]{1.75} +68 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/68.pdf}} + -88 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/88.pdf}} +85 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/85.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(1, 12), (1, 13)] +[(0, 0), (0, 1)] \end{verbatim} product bonds broken:\begin{verbatim} -[(0, 0), (0, 1)] +[(0, 9), (0, 10)] \end{verbatim} @@ -1068,25 +1036,25 @@ Terminal.KEEP \end{verbatim} $$ -75 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/75.pdf}} +82 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/82.pdf}} + -87 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/87.pdf}} -\xrightarrow[0.02]{0.16} -46 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/46.pdf}} +88 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/88.pdf}} +\xrightarrow[0.03]{0.29} +49 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/49.pdf}} + -68 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/68.pdf}} +69 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/69.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(0, 0), (0, 1)] +[(0, 0), (0, 11)] \end{verbatim} product bonds broken:\begin{verbatim} -[(1, 9), (1, 10)] +[(1, 12), (1, 13)] \end{verbatim} @@ -1100,14 +1068,14 @@ Terminal.KEEP \end{verbatim} $$ -76 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/76.pdf}} +82 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/82.pdf}} + 88 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/88.pdf}} -\xrightarrow[0.04]{0.38} -47 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/47.pdf}} +\xrightarrow[0.15]{1.46} +49 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/49.pdf}} + 70 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/70.pdf}} @@ -1115,7 +1083,7 @@ reactant bonds broken:\begin{verbatim} -[(0, 0), (0, 1)] +[(0, 0), (0, 11)] \end{verbatim} product bonds broken:\begin{verbatim} [(1, 9), (1, 10)] @@ -1135,14 +1103,14 @@ 75 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/75.pdf}} + -83 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/83.pdf}} -\xrightarrow[0.16]{1.61} +87 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/87.pdf}} +\xrightarrow[0.02]{0.16} 46 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/46.pdf}} + -61 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/61.pdf}} +68 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/68.pdf}} $$ @@ -1150,7 +1118,7 @@ [(0, 0), (0, 1)] \end{verbatim} product bonds broken:\begin{verbatim} -[(1, 2), (1, 17)] +[(1, 9), (1, 10)] \end{verbatim} @@ -1164,25 +1132,25 @@ Terminal.KEEP \end{verbatim} $$ -44 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/44.pdf}} +82 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/82.pdf}} ++ +88 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/88.pdf}} +\xrightarrow[0.02]{0.24} +50 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/50.pdf}} + -87 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/87.pdf}} -\xrightarrow[0.11]{1.07} 67 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/67.pdf}} -+ -85 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/85.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(0, 0), (0, 1)] +[(0, 0), (0, 11)] \end{verbatim} product bonds broken:\begin{verbatim} -[(0, 12), (0, 13)] +[(1, 12), (1, 13)] \end{verbatim} @@ -1196,25 +1164,25 @@ Terminal.KEEP \end{verbatim} $$ -44 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/44.pdf}} -+ -87 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/87.pdf}} -\xrightarrow[0.18]{1.75} -68 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/68.pdf}} +69 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/69.pdf}} + 85 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/85.pdf}} +\xrightarrow[0.24]{2.43} +43 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/43.pdf}} ++ +89 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/89.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(0, 0), (0, 1)] +[(0, 12), (0, 13)] \end{verbatim} product bonds broken:\begin{verbatim} -[(0, 9), (0, 10)] +[(0, 0), (0, 1)] \end{verbatim} @@ -1228,25 +1196,25 @@ Terminal.KEEP \end{verbatim} $$ -69 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/69.pdf}} +82 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/82.pdf}} + -85 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/85.pdf}} -\xrightarrow[0.24]{2.43} -43 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/43.pdf}} +88 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/88.pdf}} +\xrightarrow[0.09]{0.92} +50 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/50.pdf}} + -89 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/89.pdf}} +68 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/68.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(0, 12), (0, 13)] +[(0, 0), (0, 11)] \end{verbatim} product bonds broken:\begin{verbatim} -[(0, 0), (0, 1)] +[(1, 9), (1, 10)] \end{verbatim} @@ -1292,25 +1260,25 @@ Terminal.KEEP \end{verbatim} $$ -69 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/69.pdf}} +44 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/44.pdf}} + -86 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/86.pdf}} -\xrightarrow[0.21]{2.06} -45 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/45.pdf}} +83 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/83.pdf}} +\xrightarrow[0.32]{3.20} +61 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/61.pdf}} + -88 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/88.pdf}} +85 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/85.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(0, 12), (0, 13)] +[(0, 0), (0, 1)] \end{verbatim} product bonds broken:\begin{verbatim} -[(0, 0), (0, 1)] +[(0, 2), (0, 17)] \end{verbatim} @@ -1324,22 +1292,22 @@ Terminal.KEEP \end{verbatim} $$ -70 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/70.pdf}} +69 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/69.pdf}} + -85 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/85.pdf}} -\xrightarrow[0.13]{1.26} -43 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/43.pdf}} +86 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/86.pdf}} +\xrightarrow[0.21]{2.06} +45 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/45.pdf}} + -89 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/89.pdf}} +88 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/88.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(0, 9), (0, 10)] +[(0, 12), (0, 13)] \end{verbatim} product bonds broken:\begin{verbatim} [(0, 0), (0, 1)] @@ -1356,25 +1324,25 @@ Terminal.KEEP \end{verbatim} $$ -70 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/70.pdf}} +76 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/76.pdf}} + -85 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/85.pdf}} -\xrightarrow[0.14]{1.36} -45 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/45.pdf}} +88 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/88.pdf}} +\xrightarrow[0.04]{0.38} +47 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/47.pdf}} + -87 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/87.pdf}} +70 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/70.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(0, 9), (0, 10)] +[(0, 0), (0, 1)] \end{verbatim} product bonds broken:\begin{verbatim} -[(0, 0), (0, 1)] +[(1, 9), (1, 10)] \end{verbatim} @@ -1391,14 +1359,14 @@ 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[0.09]{0.89} -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}} $$ @@ -1420,25 +1388,25 @@ Terminal.KEEP \end{verbatim} $$ -44 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/44.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}} +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}} $$ reactant bonds broken:\begin{verbatim} -[(0, 0), (0, 1)] +[(0, 0), (0, 11)] \end{verbatim} product bonds broken:\begin{verbatim} -[(0, 2), (0, 17)] +[(0, 0), (0, 1)] \end{verbatim} @@ -1452,22 +1420,22 @@ Terminal.KEEP \end{verbatim} $$ -81 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/81.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[0.09]{0.94} -44 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/44.pdf}} +\xrightarrow[0.14]{1.36} +45 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/45.pdf}} + -48 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/48.pdf}} +87 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/87.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(0, 0), (0, 11)] +[(0, 9), (0, 10)] \end{verbatim} product bonds broken:\begin{verbatim} [(0, 0), (0, 1)] @@ -1612,22 +1580,22 @@ Terminal.KEEP \end{verbatim} $$ -76 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/76.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[0.03]{0.26} +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}} + -46 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/46.pdf}} +88 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/88.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(0, 0), (0, 1)] +[(0, 9), (0, 10)] \end{verbatim} product bonds broken:\begin{verbatim} [(0, 0), (0, 1)] @@ -1647,14 +1615,14 @@ 76 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/76.pdf}} + -86 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/86.pdf}} -\xrightarrow[0.13]{1.27} +85 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/85.pdf}} +\xrightarrow[0.03]{0.26} 45 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/45.pdf}} + -47 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/47.pdf}} +46 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/46.pdf}} $$ @@ -1676,25 +1644,25 @@ Terminal.KEEP \end{verbatim} $$ -41 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/41.pdf}} +76 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/76.pdf}} + -87 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/87.pdf}} -\xrightarrow[0.05]{0.50} -65 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/65.pdf}} +86 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/86.pdf}} +\xrightarrow[0.13]{1.27} +45 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/45.pdf}} + -67 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/67.pdf}} +47 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/47.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(0, 9), (0, 25)] +[(0, 0), (0, 1)] \end{verbatim} product bonds broken:\begin{verbatim} -[(1, 12), (1, 13)] +[(0, 0), (0, 1)] \end{verbatim} @@ -1711,11 +1679,11 @@ 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}} +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}} + 68 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/68.pdf}} @@ -1723,10 +1691,10 @@ reactant bonds broken:\begin{verbatim} -[(0, 9), (0, 25)] +[(0, 12), (0, 13)] \end{verbatim} product bonds broken:\begin{verbatim} -[(1, 9), (1, 10)] +[(0, 0), (0, 1)] \end{verbatim} @@ -1745,20 +1713,20 @@ + 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}} +\xrightarrow[0.05]{0.50} +65 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/65.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}} $$ reactant bonds broken:\begin{verbatim} -[(0, 12), (0, 13)] +[(0, 9), (0, 25)] \end{verbatim} product bonds broken:\begin{verbatim} -[(1, 9), (1, 10)] +[(1, 12), (1, 13)] \end{verbatim} @@ -1775,14 +1743,14 @@ 42 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/42.pdf}} + -88 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/88.pdf}} -\xrightarrow[0.05]{0.47} +86 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/86.pdf}} +\xrightarrow[0.14]{1.36} +45 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/45.pdf}} ++ 67 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/67.pdf}} -+ -70 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/70.pdf}} $$ @@ -1790,7 +1758,7 @@ [(0, 9), (0, 25)] \end{verbatim} product bonds broken:\begin{verbatim} -[(1, 9), (1, 10)] +[(0, 0), (0, 1)] \end{verbatim} @@ -1804,25 +1772,25 @@ Terminal.KEEP \end{verbatim} $$ -42 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/42.pdf}} +41 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/41.pdf}} ++ +66 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/66.pdf}} +\xrightarrow[0.02]{0.19} +40 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/40.pdf}} + -88 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/88.pdf}} -\xrightarrow[0.12]{1.15} 68 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/68.pdf}} -+ -70 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/70.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(0, 12), (0, 13)] +[(1, 0), (1, 3)] \end{verbatim} product bonds broken:\begin{verbatim} -[(1, 9), (1, 10)] +[(1, 0), (1, 1)] \end{verbatim} @@ -1836,25 +1804,25 @@ Terminal.KEEP \end{verbatim} $$ -65 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/65.pdf}} +42 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/42.pdf}} + -69 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/69.pdf}} -\xrightarrow[0.13]{1.27} -40 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/40.pdf}} +86 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/86.pdf}} +\xrightarrow[0.20]{2.05} +45 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/45.pdf}} + -89 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/89.pdf}} +68 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/68.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(1, 12), (1, 13)] +[(0, 12), (0, 13)] \end{verbatim} product bonds broken:\begin{verbatim} -[(0, 9), (0, 25)] +[(0, 0), (0, 1)] \end{verbatim} @@ -1868,25 +1836,25 @@ Terminal.KEEP \end{verbatim} $$ +42 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/42.pdf}} ++ 65 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/65.pdf}} -+ -70 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/70.pdf}} -\xrightarrow[0.01]{0.10} +\xrightarrow[0.05]{0.53} 40 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/40.pdf}} + -89 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/89.pdf}} +69 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/69.pdf}} $$ 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} @@ -1900,25 +1868,25 @@ 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} -[(1, 12), (1, 13)] +[(0, 9), (0, 25)] \end{verbatim} product bonds broken:\begin{verbatim} -[(0, 12), (0, 13)] +[(1, 9), (1, 10)] \end{verbatim} @@ -1932,17 +1900,17 @@ Terminal.KEEP \end{verbatim} $$ -66 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/66.pdf}} +42 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/42.pdf}} + -69 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/69.pdf}} -\xrightarrow[0.21]{2.12} +65 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/65.pdf}} +\xrightarrow[0.17]{1.69} 40 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/40.pdf}} + -89 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/89.pdf}} +70 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/70.pdf}} $$ @@ -1950,7 +1918,7 @@ [(1, 12), (1, 13)] \end{verbatim} product bonds broken:\begin{verbatim} -[(0, 12), (0, 13)] +[(1, 9), (1, 10)] \end{verbatim} @@ -1964,25 +1932,25 @@ Terminal.KEEP \end{verbatim} $$ -66 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/66.pdf}} +43 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/43.pdf}} + -70 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/70.pdf}} -\xrightarrow[0.10]{0.95} -40 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/40.pdf}} +67 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/67.pdf}} +\xrightarrow[0.02]{0.18} +41 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/41.pdf}} + -89 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/89.pdf}} +85 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/85.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(1, 9), (1, 10)] +[(0, 0), (0, 1)] \end{verbatim} product bonds broken:\begin{verbatim} -[(0, 12), (0, 13)] +[(0, 9), (0, 25)] \end{verbatim} @@ -1996,25 +1964,25 @@ Terminal.KEEP \end{verbatim} $$ -67 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/67.pdf}} +42 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/42.pdf}} ++ +66 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/66.pdf}} +\xrightarrow[0.14]{1.38} +40 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/40.pdf}} + 69 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/69.pdf}} -\xrightarrow[0.26]{2.61} -41 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/41.pdf}} -+ -89 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/89.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(1, 12), (1, 13)] +[(1, 9), (1, 10)] \end{verbatim} product bonds broken:\begin{verbatim} -[(0, 9), (0, 25)] +[(1, 12), (1, 13)] \end{verbatim} @@ -2028,25 +1996,25 @@ Terminal.KEEP \end{verbatim} $$ -67 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/67.pdf}} -+ -69 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/69.pdf}} -\xrightarrow[0.07]{0.70} 42 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/42.pdf}} + -88 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/88.pdf}} +66 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/66.pdf}} +\xrightarrow[0.25]{2.54} +40 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/40.pdf}} ++ +70 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/70.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(1, 12), (1, 13)] +[(1, 0), (1, 3)] \end{verbatim} product bonds broken:\begin{verbatim} -[(0, 9), (0, 25)] +[(1, 0), (1, 3)] \end{verbatim} @@ -2060,25 +2028,25 @@ Terminal.KEEP \end{verbatim} $$ -67 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/67.pdf}} +41 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/41.pdf}} + -69 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/69.pdf}} -\xrightarrow[0.11]{1.14} -88 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/88.pdf}} +87 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/87.pdf}} +\xrightarrow[0.03]{0.33} +66 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/66.pdf}} + -93 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/93.pdf}} +68 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/68.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(1, 12), (1, 13)] +[(0, 12), (0, 13)] \end{verbatim} product bonds broken:\begin{verbatim} -[(1, 12), (1, 25)] +[(1, 9), (1, 10)] \end{verbatim} @@ -2092,22 +2060,22 @@ Terminal.KEEP \end{verbatim} $$ -67 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/67.pdf}} +44 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/44.pdf}} + -70 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/70.pdf}} -\xrightarrow[0.14]{1.45} +65 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/65.pdf}} +\xrightarrow[0.06]{0.57} 41 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/41.pdf}} + -89 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/89.pdf}} +85 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/85.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(1, 9), (1, 10)] +[(0, 0), (0, 1)] \end{verbatim} product bonds broken:\begin{verbatim} [(0, 9), (0, 25)] @@ -2124,25 +2092,25 @@ Terminal.KEEP \end{verbatim} $$ +42 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/42.pdf}} ++ +67 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/67.pdf}} +\xrightarrow[0.11]{1.13} 68 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/68.pdf}} + -69 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/69.pdf}} -\xrightarrow[0.19]{1.93} -41 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/41.pdf}} -+ -89 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/89.pdf}} +93 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/93.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(1, 12), (1, 13)] +[(0, 12), (0, 13)] \end{verbatim} product bonds broken:\begin{verbatim} -[(0, 12), (0, 13)] +[(1, 12), (1, 25)] \end{verbatim} @@ -2156,25 +2124,25 @@ 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} -[(1, 12), (1, 13)] +[(0, 9), (0, 25)] \end{verbatim} product bonds broken:\begin{verbatim} -[(0, 12), (0, 13)] +[(1, 9), (1, 10)] \end{verbatim} @@ -2188,22 +2156,22 @@ Terminal.KEEP \end{verbatim} $$ -68 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/68.pdf}} +44 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/44.pdf}} + -70 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/70.pdf}} -\xrightarrow[0.08]{0.76} +66 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/66.pdf}} +\xrightarrow[0.14]{1.42} 41 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/41.pdf}} + -89 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/89.pdf}} +85 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/85.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(1, 9), (1, 10)] +[(0, 0), (0, 1)] \end{verbatim} product bonds broken:\begin{verbatim} [(0, 12), (0, 13)] @@ -2220,17 +2188,17 @@ Terminal.KEEP \end{verbatim} $$ -88 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/88.pdf}} +66 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/66.pdf}} + 93 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/93.pdf}} -\xrightarrow[0.00]{0.02} -67 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/67.pdf}} +\xrightarrow[0.04]{0.40} +42 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/42.pdf}} + -70 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/70.pdf}} +65 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/65.pdf}} $$ @@ -2238,7 +2206,7 @@ [(1, 12), (1, 25)] \end{verbatim} product bonds broken:\begin{verbatim} -[(1, 9), (1, 10)] +[(0, 12), (0, 13)] \end{verbatim} @@ -2252,17 +2220,17 @@ Terminal.KEEP \end{verbatim} $$ -41 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/41.pdf}} -+ -85 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/85.pdf}} -\xrightarrow[0.05]{0.50} -43 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/43.pdf}} +42 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/42.pdf}} + +88 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/88.pdf}} +\xrightarrow[0.12]{1.15} 68 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/68.pdf}} ++ +70 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/70.pdf}} $$ @@ -2270,7 +2238,7 @@ [(0, 12), (0, 13)] \end{verbatim} product bonds broken:\begin{verbatim} -[(0, 0), (0, 1)] +[(1, 9), (1, 10)] \end{verbatim} @@ -2284,12 +2252,12 @@ Terminal.KEEP \end{verbatim} $$ -42 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/42.pdf}} -+ 86 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/86.pdf}} -\xrightarrow[0.14]{1.36} ++ +93 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/93.pdf}} +\xrightarrow[0.09]{0.92} 45 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/45.pdf}} + @@ -2299,7 +2267,7 @@ reactant bonds broken:\begin{verbatim} -[(0, 9), (0, 25)] +[(1, 12), (1, 25)] \end{verbatim} product bonds broken:\begin{verbatim} [(0, 0), (0, 1)] @@ -2316,25 +2284,25 @@ Terminal.KEEP \end{verbatim} $$ -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}} +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}} + -68 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/68.pdf}} +48 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/48.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(0, 12), (0, 13)] +[(1, 0), (1, 11)] \end{verbatim} product bonds broken:\begin{verbatim} -[(0, 0), (0, 1)] +[(0, 9), (0, 25)] \end{verbatim} @@ -2348,22 +2316,22 @@ Terminal.KEEP \end{verbatim} $$ -43 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/43.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[0.02]{0.18} -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[0.15]{1.46} +40 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/40.pdf}} + -85 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/85.pdf}} +50 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/50.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(0, 0), (0, 1)] +[(1, 0), (1, 11)] \end{verbatim} product bonds broken:\begin{verbatim} [(0, 9), (0, 25)] @@ -2380,22 +2348,22 @@ Terminal.KEEP \end{verbatim} $$ -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}} + -85 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/85.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}} $$ reactant bonds broken:\begin{verbatim} -[(0, 0), (0, 1)] +[(1, 12), (1, 13)] \end{verbatim} product bonds broken:\begin{verbatim} [(0, 9), (0, 25)] @@ -2412,22 +2380,22 @@ Terminal.KEEP \end{verbatim} $$ -44 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/44.pdf}} -+ 66 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/66.pdf}} -\xrightarrow[0.14]{1.42} ++ +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}} + -85 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/85.pdf}} +48 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/48.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(0, 0), (0, 1)] +[(1, 0), (1, 11)] \end{verbatim} product bonds broken:\begin{verbatim} [(0, 12), (0, 13)] @@ -2444,25 +2412,25 @@ Terminal.KEEP \end{verbatim} $$ -86 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/86.pdf}} +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[0.09]{0.92} -45 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/45.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}} + -67 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/67.pdf}} +75 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/75.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(1, 12), (1, 25)] +[(0, 9), (0, 25)] \end{verbatim} product bonds broken:\begin{verbatim} -[(0, 0), (0, 1)] +[(1, 0), (1, 1)] \end{verbatim} @@ -2476,25 +2444,25 @@ Terminal.KEEP \end{verbatim} $$ -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} ++ +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}} + -68 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/68.pdf}} +50 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/50.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(1, 0), (1, 3)] +[(1, 0), (1, 11)] \end{verbatim} product bonds broken:\begin{verbatim} -[(1, 0), (1, 1)] +[(0, 12), (0, 13)] \end{verbatim} @@ -2508,25 +2476,25 @@ Terminal.KEEP \end{verbatim} $$ -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}} $$ reactant bonds broken:\begin{verbatim} -[(1, 0), (1, 3)] +[(1, 9), (1, 10)] \end{verbatim} product bonds broken:\begin{verbatim} -[(1, 0), (1, 3)] +[(0, 9), (0, 25)] \end{verbatim} @@ -2540,25 +2508,25 @@ Terminal.KEEP \end{verbatim} $$ -42 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/42.pdf}} +67 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/67.pdf}} + -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}} +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}} + -70 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/70.pdf}} +48 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/48.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(1, 12), (1, 13)] +[(1, 0), (1, 11)] \end{verbatim} product bonds broken:\begin{verbatim} -[(1, 9), (1, 10)] +[(0, 9), (0, 25)] \end{verbatim} @@ -2572,25 +2540,25 @@ Terminal.KEEP \end{verbatim} $$ -42 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/42.pdf}} +67 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/67.pdf}} + -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}} +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}} + -69 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/69.pdf}} +50 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/50.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(1, 9), (1, 10)] +[(1, 0), (1, 11)] \end{verbatim} product bonds broken:\begin{verbatim} -[(1, 12), (1, 13)] +[(0, 9), (0, 25)] \end{verbatim} @@ -2604,25 +2572,25 @@ Terminal.KEEP \end{verbatim} $$ +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}} + -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}} +49 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/49.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(1, 0), (1, 3)] +[(1, 0), (1, 11)] \end{verbatim} product bonds broken:\begin{verbatim} -[(1, 0), (1, 3)] +[(0, 9), (0, 25)] \end{verbatim} @@ -2636,14 +2604,14 @@ Terminal.KEEP \end{verbatim} $$ -42 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/42.pdf}} -+ 67 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/67.pdf}} -\xrightarrow[0.11]{1.13} -68 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/68.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}} + 93 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/93.pdf}} @@ -2651,7 +2619,7 @@ reactant bonds broken:\begin{verbatim} -[(0, 12), (0, 13)] +[(1, 0), (1, 11)] \end{verbatim} product bonds broken:\begin{verbatim} [(1, 12), (1, 25)] @@ -2668,22 +2636,22 @@ Terminal.KEEP \end{verbatim} $$ -66 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/66.pdf}} +68 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/68.pdf}} + -93 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/93.pdf}} -\xrightarrow[0.04]{0.40} -42 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/42.pdf}} +80 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/80.pdf}} +\xrightarrow[0.07]{0.71} +41 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/41.pdf}} + -65 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/65.pdf}} +48 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/48.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(1, 12), (1, 25)] +[(1, 0), (1, 11)] \end{verbatim} product bonds broken:\begin{verbatim} [(0, 12), (0, 13)] @@ -2700,17 +2668,17 @@ Terminal.KEEP \end{verbatim} $$ -65 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/65.pdf}} +68 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/68.pdf}} + -81 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/81.pdf}} -\xrightarrow[0.15]{1.51} +82 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/82.pdf}} +\xrightarrow[0.21]{2.12} 41 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/41.pdf}} + -48 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/48.pdf}} +50 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/50.pdf}} $$ @@ -2718,7 +2686,7 @@ [(1, 0), (1, 11)] \end{verbatim} product bonds broken:\begin{verbatim} -[(0, 9), (0, 25)] +[(0, 12), (0, 13)] \end{verbatim} @@ -2732,17 +2700,17 @@ Terminal.KEEP \end{verbatim} $$ -65 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/65.pdf}} +68 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/68.pdf}} + 82 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/82.pdf}} -\xrightarrow[0.15]{1.46} -40 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/40.pdf}} +\xrightarrow[0.03]{0.30} +42 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/42.pdf}} + -50 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/50.pdf}} +49 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/49.pdf}} $$ @@ -2750,7 +2718,7 @@ [(1, 0), (1, 11)] \end{verbatim} product bonds broken:\begin{verbatim} -[(0, 9), (0, 25)] +[(0, 12), (0, 13)] \end{verbatim} @@ -2764,25 +2732,25 @@ Terminal.KEEP \end{verbatim} $$ -66 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/66.pdf}} -+ -81 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/81.pdf}} -\xrightarrow[0.24]{2.36} 41 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/41.pdf}} + -48 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/48.pdf}} +46 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/46.pdf}} +\xrightarrow[0.02]{0.17} +66 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/66.pdf}} ++ +75 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/75.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(1, 0), (1, 11)] +[(0, 12), (0, 13)] \end{verbatim} product bonds broken:\begin{verbatim} -[(0, 12), (0, 13)] +[(1, 0), (1, 1)] \end{verbatim} @@ -2796,12 +2764,12 @@ Terminal.KEEP \end{verbatim} $$ -66 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/66.pdf}} +69 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/69.pdf}} + -82 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/82.pdf}} -\xrightarrow[0.23]{2.31} +80 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/80.pdf}} +\xrightarrow[0.23]{2.30} 40 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/40.pdf}} + @@ -2814,7 +2782,7 @@ [(1, 0), (1, 11)] \end{verbatim} product bonds broken:\begin{verbatim} -[(0, 12), (0, 13)] +[(0, 9), (0, 25)] \end{verbatim} @@ -2828,25 +2796,25 @@ Terminal.KEEP \end{verbatim} $$ +66 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/66.pdf}} ++ 67 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/67.pdf}} -+ -80 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/80.pdf}} -\xrightarrow[0.14]{1.39} +\xrightarrow[0.04]{0.35} 41 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/41.pdf}} + -48 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/48.pdf}} +87 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/87.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(1, 0), (1, 11)] +[(1, 12), (1, 13)] \end{verbatim} product bonds broken:\begin{verbatim} -[(0, 9), (0, 25)] +[(0, 12), (0, 13)] \end{verbatim} @@ -2860,14 +2828,14 @@ Terminal.KEEP \end{verbatim} $$ -67 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/67.pdf}} +70 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/70.pdf}} + -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}} +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}} + 50 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/50.pdf}} @@ -2878,7 +2846,7 @@ [(1, 0), (1, 11)] \end{verbatim} product bonds broken:\begin{verbatim} -[(0, 9), (0, 25)] +[(0, 12), (0, 13)] \end{verbatim} @@ -2892,25 +2860,25 @@ Terminal.KEEP \end{verbatim} $$ +41 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/41.pdf}} ++ +46 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/46.pdf}} +\xrightarrow[0.11]{1.07} 67 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/67.pdf}} + -82 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/82.pdf}} -\xrightarrow[0.10]{0.99} -42 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/42.pdf}} -+ -49 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/49.pdf}} +74 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/74.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(1, 0), (1, 11)] +[(0, 9), (0, 25)] \end{verbatim} product bonds broken:\begin{verbatim} -[(0, 9), (0, 25)] +[(1, 0), (1, 1)] \end{verbatim} @@ -2924,25 +2892,25 @@ Terminal.KEEP \end{verbatim} $$ -67 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/67.pdf}} +66 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/66.pdf}} + -82 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/82.pdf}} -\xrightarrow[0.14]{1.43} -49 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/49.pdf}} +69 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/69.pdf}} +\xrightarrow[0.21]{2.12} +40 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/40.pdf}} + -93 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/93.pdf}} +89 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/89.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(1, 0), (1, 11)] +[(1, 12), (1, 13)] \end{verbatim} product bonds broken:\begin{verbatim} -[(1, 12), (1, 25)] +[(0, 12), (0, 13)] \end{verbatim} @@ -2956,22 +2924,22 @@ Terminal.KEEP \end{verbatim} $$ -68 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/68.pdf}} +66 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/66.pdf}} + -80 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/80.pdf}} -\xrightarrow[0.07]{0.71} -41 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/41.pdf}} +70 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/70.pdf}} +\xrightarrow[0.10]{0.95} +40 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/40.pdf}} + -48 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/48.pdf}} +89 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/89.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(1, 0), (1, 11)] +[(1, 9), (1, 10)] \end{verbatim} product bonds broken:\begin{verbatim} [(0, 12), (0, 13)] @@ -2988,25 +2956,25 @@ Terminal.KEEP \end{verbatim} $$ -68 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/68.pdf}} -+ -82 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/82.pdf}} -\xrightarrow[0.21]{2.12} 41 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/41.pdf}} + -50 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/50.pdf}} +46 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/46.pdf}} +\xrightarrow[0.18]{1.76} +68 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/68.pdf}} ++ +74 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/74.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(1, 0), (1, 11)] +[(0, 12), (0, 13)] \end{verbatim} product bonds broken:\begin{verbatim} -[(0, 12), (0, 13)] +[(1, 0), (1, 1)] \end{verbatim} @@ -3020,25 +2988,25 @@ Terminal.KEEP \end{verbatim} $$ -68 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/68.pdf}} +67 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/67.pdf}} + -82 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/82.pdf}} -\xrightarrow[0.03]{0.30} -42 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/42.pdf}} +69 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/69.pdf}} +\xrightarrow[0.26]{2.61} +41 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/41.pdf}} + -49 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/49.pdf}} +89 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/89.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(1, 0), (1, 11)] +[(1, 12), (1, 13)] \end{verbatim} product bonds broken:\begin{verbatim} -[(0, 12), (0, 13)] +[(0, 9), (0, 25)] \end{verbatim} @@ -3052,22 +3020,22 @@ Terminal.KEEP \end{verbatim} $$ +67 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/67.pdf}} ++ 69 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/69.pdf}} +\xrightarrow[0.07]{0.70} +42 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/42.pdf}} + -80 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/80.pdf}} -\xrightarrow[0.23]{2.30} -40 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/40.pdf}} -+ -50 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/50.pdf}} +88 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/88.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(1, 0), (1, 11)] +[(1, 12), (1, 13)] \end{verbatim} product bonds broken:\begin{verbatim} [(0, 9), (0, 25)] @@ -3084,25 +3052,25 @@ Terminal.KEEP \end{verbatim} $$ -70 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/70.pdf}} +42 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/42.pdf}} + -80 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/80.pdf}} -\xrightarrow[0.11]{1.13} -40 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/40.pdf}} +47 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/47.pdf}} +\xrightarrow[0.01]{0.09} +67 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/67.pdf}} + -50 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/50.pdf}} +76 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/76.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(1, 0), (1, 11)] +[(0, 9), (0, 25)] \end{verbatim} product bonds broken:\begin{verbatim} -[(0, 12), (0, 13)] +[(1, 0), (1, 1)] \end{verbatim} @@ -3116,25 +3084,25 @@ Terminal.KEEP \end{verbatim} $$ -41 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/41.pdf}} +67 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/67.pdf}} + -46 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/46.pdf}} -\xrightarrow[0.10]{1.02} -65 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/65.pdf}} +69 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/69.pdf}} +\xrightarrow[0.11]{1.14} +88 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/88.pdf}} + -75 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/75.pdf}} +93 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/93.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(0, 9), (0, 25)] +[(1, 12), (1, 13)] \end{verbatim} product bonds broken:\begin{verbatim} -[(1, 0), (1, 1)] +[(1, 12), (1, 25)] \end{verbatim} @@ -3148,25 +3116,25 @@ Terminal.KEEP \end{verbatim} $$ +67 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/67.pdf}} ++ +70 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/70.pdf}} +\xrightarrow[0.14]{1.45} 41 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/41.pdf}} + -46 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/46.pdf}} -\xrightarrow[0.02]{0.17} -66 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/66.pdf}} -+ -75 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/75.pdf}} +89 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/89.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(0, 12), (0, 13)] +[(1, 9), (1, 10)] \end{verbatim} product bonds broken:\begin{verbatim} -[(1, 0), (1, 1)] +[(0, 9), (0, 25)] \end{verbatim} @@ -3180,25 +3148,25 @@ Terminal.KEEP \end{verbatim} $$ +68 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/68.pdf}} ++ +69 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/69.pdf}} +\xrightarrow[0.19]{1.93} 41 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/41.pdf}} + -46 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/46.pdf}} -\xrightarrow[0.11]{1.07} -67 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/67.pdf}} -+ -74 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/74.pdf}} +89 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/89.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(0, 9), (0, 25)] +[(1, 12), (1, 13)] \end{verbatim} product bonds broken:\begin{verbatim} -[(1, 0), (1, 1)] +[(0, 12), (0, 13)] \end{verbatim} @@ -3212,17 +3180,17 @@ Terminal.KEEP \end{verbatim} $$ -41 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/41.pdf}} +42 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/42.pdf}} + -46 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/46.pdf}} -\xrightarrow[0.18]{1.76} +47 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/47.pdf}} +\xrightarrow[0.08]{0.78} 68 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/68.pdf}} + -74 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/74.pdf}} +76 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/76.pdf}} $$ @@ -3244,25 +3212,25 @@ Terminal.KEEP \end{verbatim} $$ +68 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/68.pdf}} ++ +69 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/69.pdf}} +\xrightarrow[0.00]{0.01} 42 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/42.pdf}} + -47 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/47.pdf}} -\xrightarrow[0.01]{0.09} -67 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/67.pdf}} -+ -76 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/76.pdf}} +88 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/88.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(0, 9), (0, 25)] +[(1, 12), (1, 13)] \end{verbatim} product bonds broken:\begin{verbatim} -[(1, 0), (1, 1)] +[(0, 12), (0, 13)] \end{verbatim} @@ -3276,25 +3244,25 @@ Terminal.KEEP \end{verbatim} $$ -42 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/42.pdf}} -+ -47 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/47.pdf}} -\xrightarrow[0.08]{0.78} 68 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/68.pdf}} + -76 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/76.pdf}} +70 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/70.pdf}} +\xrightarrow[0.08]{0.76} +41 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/41.pdf}} ++ +89 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/89.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(0, 12), (0, 13)] +[(1, 9), (1, 10)] \end{verbatim} product bonds broken:\begin{verbatim} -[(1, 0), (1, 1)] +[(0, 12), (0, 13)] \end{verbatim} @@ -3332,6 +3300,38 @@ +\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} $$ -34 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/34.pdf}} -+ -54 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/54.pdf}} -\xrightarrow[0.02]{0.20} -73 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/73.pdf}} +80 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/80.pdf}} + 95 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/95.pdf}} +\xrightarrow[0.08]{0.82} +33 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/33.pdf}} ++ +48 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/48.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(0, 1), (0, 6)] +[(0, 0), (0, 11)] \end{verbatim} product bonds broken:\begin{verbatim} -[(0, 3), (0, 10)] +[(0, 1), (0, 6)] \end{verbatim} @@ -3439,14 +3439,14 @@ 80 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/80.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}} +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}} + -48 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/48.pdf}} +50 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/50.pdf}} $$ @@ -3468,25 +3468,25 @@ Terminal.KEEP \end{verbatim} $$ -80 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/80.pdf}} +34 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/34.pdf}} + -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}} +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}} + -50 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/50.pdf}} +95 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/95.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(0, 0), (0, 11)] +[(0, 1), (0, 6)] \end{verbatim} product bonds broken:\begin{verbatim} -[(0, 1), (0, 6)] +[(0, 3), (0, 10)] \end{verbatim} @@ -3724,17 +3724,17 @@ Terminal.KEEP \end{verbatim} $$ -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}} $$ @@ -3742,7 +3742,7 @@ [(1, 10), (1, 34)] \end{verbatim} product bonds broken:\begin{verbatim} -[(1, 0), (1, 11)] +[(1, 0), (1, 1)] \end{verbatim} @@ -3756,17 +3756,17 @@ Terminal.KEEP \end{verbatim} $$ -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}} $$ @@ -3774,7 +3774,7 @@ [(1, 10), (1, 34)] \end{verbatim} product bonds broken:\begin{verbatim} -[(1, 0), (1, 1)] +[(1, 0), (1, 11)] \end{verbatim} @@ -3884,25 +3884,25 @@ Terminal.KEEP \end{verbatim} $$ -29 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/29.pdf}} +25 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/25.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}} +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}} + -79 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/79.pdf}} +33 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/33.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(1, 12), (1, 13)] +[(0, 0), (0, 13)] \end{verbatim} product bonds broken:\begin{verbatim} -[(1, 10), (1, 34)] +[(1, 1), (1, 6)] \end{verbatim} @@ -3916,25 +3916,25 @@ Terminal.KEEP \end{verbatim} $$ -67 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/67.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[0.19]{1.94} -28 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/28.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}} + -42 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/42.pdf}} +33 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/33.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(1, 10), (1, 34)] +[(0, 0), (0, 13)] \end{verbatim} product bonds broken:\begin{verbatim} -[(1, 9), (1, 25)] +[(1, 1), (1, 6)] \end{verbatim} @@ -3948,25 +3948,25 @@ Terminal.KEEP \end{verbatim} $$ -67 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/67.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}} +33 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/33.pdf}} + -93 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/93.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}} ++ +95 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/95.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(1, 10), (1, 34)] +[(1, 1), (1, 6)] \end{verbatim} product bonds broken:\begin{verbatim} -[(1, 12), (1, 25)] +[(0, 0), (0, 13)] \end{verbatim} @@ -3980,25 +3980,25 @@ Terminal.KEEP \end{verbatim} $$ -67 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/67.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[0.01]{0.10} -29 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/29.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}} + -41 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/41.pdf}} +44 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/44.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(1, 10), (1, 34)] +[(0, 0), (0, 13)] \end{verbatim} product bonds broken:\begin{verbatim} -[(1, 9), (1, 25)] +[(1, 0), (1, 1)] \end{verbatim} @@ -4012,57 +4012,25 @@ Terminal.KEEP \end{verbatim} $$ +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}} $$ reactant bonds broken:\begin{verbatim} -[(1, 10), (1, 34)] -\end{verbatim} -product bonds broken:\begin{verbatim} [(1, 12), (1, 13)] \end{verbatim} - - - - -\vspace{1cm} -\begin{verbatim} -more than one reactant -fragment matching found -free_energy dG is above threshold=0.0 -Terminal.KEEP -\end{verbatim} -$$ -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}} -$$ - - -reactant bonds broken:\begin{verbatim} -[(1, 10), (1, 34)] -\end{verbatim} product bonds broken:\begin{verbatim} -[(1, 9), (1, 25)] +[(1, 10), (1, 34)] \end{verbatim} @@ -4076,22 +4044,22 @@ Terminal.KEEP \end{verbatim} $$ -70 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/70.pdf}} +26 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/26.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}} +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}} + -40 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/40.pdf}} +67 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/67.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(1, 10), (1, 34)] +[(0, 0), (0, 13)] \end{verbatim} product bonds broken:\begin{verbatim} [(1, 12), (1, 13)] @@ -4108,17 +4076,17 @@ Terminal.KEEP \end{verbatim} $$ -25 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/25.pdf}} +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[0.06]{0.57} +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}} + -33 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/33.pdf}} +45 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/45.pdf}} $$ @@ -4126,7 +4094,7 @@ [(0, 0), (0, 13)] \end{verbatim} product bonds broken:\begin{verbatim} -[(1, 1), (1, 6)] +[(1, 0), (1, 1)] \end{verbatim} @@ -4140,17 +4108,17 @@ Terminal.KEEP \end{verbatim} $$ -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}} +27 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/27.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}} $$ @@ -4158,7 +4126,7 @@ [(0, 0), (0, 13)] \end{verbatim} product bonds broken:\begin{verbatim} -[(1, 1), (1, 6)] +[(1, 0), (1, 1)] \end{verbatim} @@ -4172,22 +4140,22 @@ Terminal.KEEP \end{verbatim} $$ -33 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/33.pdf}} -+ 34 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/34.pdf}} -\xrightarrow[0.12]{1.17} ++ +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}} + -95 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/95.pdf}} +85 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/85.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(1, 1), (1, 6)] +[(1, 0), (1, 1)] \end{verbatim} product bonds broken:\begin{verbatim} [(0, 0), (0, 13)] @@ -4209,12 +4177,12 @@ + 87 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/87.pdf}} -\xrightarrow[0.26]{2.58} +\xrightarrow[0.33]{3.27} 32 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/32.pdf}} + -67 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/67.pdf}} +68 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/68.pdf}} $$ @@ -4222,7 +4190,7 @@ [(0, 0), (0, 13)] \end{verbatim} product bonds broken:\begin{verbatim} -[(1, 12), (1, 13)] +[(1, 9), (1, 10)] \end{verbatim} @@ -4239,14 +4207,14 @@ 26 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/26.pdf}} + -87 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/87.pdf}} -\xrightarrow[0.33]{3.27} +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}} + -68 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/68.pdf}} +61 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/61.pdf}} $$ @@ -4254,7 +4222,7 @@ [(0, 0), (0, 13)] \end{verbatim} product bonds broken:\begin{verbatim} -[(1, 9), (1, 10)] +[(1, 2), (1, 17)] \end{verbatim} @@ -4332,25 +4300,25 @@ Terminal.KEEP \end{verbatim} $$ -32 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/32.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[0.15]{1.47} -25 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/25.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}} + -89 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/89.pdf}} +42 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/42.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(1, 12), (1, 13)] +[(1, 10), (1, 34)] \end{verbatim} product bonds broken:\begin{verbatim} -[(0, 0), (0, 13)] +[(1, 9), (1, 25)] \end{verbatim} @@ -4364,25 +4332,25 @@ Terminal.KEEP \end{verbatim} $$ -32 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/32.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[0.09]{0.86} -40 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/40.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}} + -96 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/96.pdf}} +93 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/93.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(0, 1), (0, 6)] +[(1, 10), (1, 34)] \end{verbatim} product bonds broken:\begin{verbatim} -[(0, 9), (0, 25)] +[(1, 12), (1, 25)] \end{verbatim} @@ -4396,25 +4364,25 @@ Terminal.KEEP \end{verbatim} $$ -32 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/32.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}} -\xrightarrow[0.03]{0.31} -25 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/25.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}} + -89 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/89.pdf}} +41 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/41.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(1, 9), (1, 10)] +[(1, 10), (1, 34)] \end{verbatim} product bonds broken:\begin{verbatim} -[(0, 0), (0, 13)] +[(1, 9), (1, 25)] \end{verbatim} @@ -4428,25 +4396,25 @@ Terminal.KEEP \end{verbatim} $$ -33 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/33.pdf}} +25 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/25.pdf}} ++ +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}} + -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}} $$ reactant bonds broken:\begin{verbatim} -[(0, 1), (0, 6)] +[(0, 0), (0, 13)] \end{verbatim} product bonds broken:\begin{verbatim} -[(0, 9), (0, 25)] +[(1, 9), (1, 25)] \end{verbatim} @@ -4460,25 +4428,25 @@ Terminal.KEEP \end{verbatim} $$ -33 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/33.pdf}} +32 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/32.pdf}} + -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}} +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}} + -95 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/95.pdf}} +89 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/89.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(0, 1), (0, 6)] +[(1, 12), (1, 13)] \end{verbatim} product bonds broken:\begin{verbatim} -[(0, 12), (0, 13)] +[(0, 0), (0, 13)] \end{verbatim} @@ -4492,17 +4460,17 @@ Terminal.KEEP \end{verbatim} $$ -33 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/33.pdf}} +32 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/32.pdf}} + -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}} +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}} + -94 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/94.pdf}} +96 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/96.pdf}} $$ @@ -4510,7 +4478,7 @@ [(0, 1), (0, 6)] \end{verbatim} product bonds broken:\begin{verbatim} -[(0, 12), (0, 13)] +[(0, 9), (0, 25)] \end{verbatim} @@ -4524,25 +4492,25 @@ Terminal.KEEP \end{verbatim} $$ -33 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/33.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]{0.57} -41 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/41.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}} + -95 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/95.pdf}} +42 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/42.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(0, 1), (0, 6)] +[(1, 10), (1, 34)] \end{verbatim} product bonds broken:\begin{verbatim} -[(0, 9), (0, 25)] +[(1, 12), (1, 13)] \end{verbatim} @@ -4556,25 +4524,25 @@ Terminal.KEEP \end{verbatim} $$ -33 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/33.pdf}} +25 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/25.pdf}} + -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}} +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}} + -88 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/88.pdf}} +41 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/41.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(1, 12), (1, 13)] +[(0, 0), (0, 13)] \end{verbatim} product bonds broken:\begin{verbatim} -[(0, 0), (0, 13)] +[(1, 12), (1, 13)] \end{verbatim} @@ -4588,25 +4556,25 @@ Terminal.KEEP \end{verbatim} $$ -33 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/33.pdf}} +69 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/69.pdf}} + -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}} +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}} + -88 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/88.pdf}} +40 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/40.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(1, 9), (1, 10)] +[(1, 10), (1, 34)] \end{verbatim} product bonds broken:\begin{verbatim} -[(0, 0), (0, 13)] +[(1, 9), (1, 25)] \end{verbatim} @@ -4620,12 +4588,12 @@ Terminal.KEEP \end{verbatim} $$ -34 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/34.pdf}} +32 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/32.pdf}} + -65 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/65.pdf}} -\xrightarrow[0.21]{2.15} +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}} + @@ -4635,7 +4603,7 @@ reactant bonds broken:\begin{verbatim} -[(1, 12), (1, 13)] +[(1, 9), (1, 10)] \end{verbatim} product bonds broken:\begin{verbatim} [(0, 0), (0, 13)] @@ -4652,25 +4620,25 @@ Terminal.KEEP \end{verbatim} $$ -34 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/34.pdf}} +26 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/26.pdf}} + 65 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/65.pdf}} -\xrightarrow[0.01]{0.11} -27 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/27.pdf}} +\xrightarrow[0.21]{2.08} +32 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/32.pdf}} + -87 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/87.pdf}} +41 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/41.pdf}} $$ 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, 9), (1, 25)] \end{verbatim} @@ -4684,25 +4652,25 @@ Terminal.KEEP \end{verbatim} $$ -34 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/34.pdf}} +70 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/70.pdf}} + -65 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/65.pdf}} -\xrightarrow[0.08]{0.85} -42 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/42.pdf}} +78 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/78.pdf}} +\xrightarrow[0.42]{4.22} +30 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/30.pdf}} + -94 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/94.pdf}} +40 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/40.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(0, 1), (0, 6)] +[(1, 10), (1, 34)] \end{verbatim} product bonds broken:\begin{verbatim} -[(0, 9), (0, 25)] +[(1, 12), (1, 13)] \end{verbatim} @@ -4716,14 +4684,14 @@ Terminal.KEEP \end{verbatim} $$ -34 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/34.pdf}} +33 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/33.pdf}} + 65 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/65.pdf}} -\xrightarrow[0.13]{1.30} -93 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/93.pdf}} +\xrightarrow[0.11]{1.12} +41 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/41.pdf}} + 94 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/94.pdf}} @@ -4734,7 +4702,7 @@ [(0, 1), (0, 6)] \end{verbatim} product bonds broken:\begin{verbatim} -[(0, 12), (0, 25)] +[(0, 9), (0, 25)] \end{verbatim} @@ -4748,25 +4716,25 @@ Terminal.KEEP \end{verbatim} $$ -34 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/34.pdf}} +26 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/26.pdf}} + 66 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/66.pdf}} -\xrightarrow[0.30]{3.00} -25 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/25.pdf}} +\xrightarrow[0.29]{2.93} +32 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/32.pdf}} + -89 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/89.pdf}} +41 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/41.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(1, 9), (1, 10)] +[(0, 0), (0, 13)] \end{verbatim} product bonds broken:\begin{verbatim} -[(0, 0), (0, 13)] +[(1, 12), (1, 13)] \end{verbatim} @@ -4780,25 +4748,25 @@ Terminal.KEEP \end{verbatim} $$ -34 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/34.pdf}} +26 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/26.pdf}} + -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}} +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}} + -87 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/87.pdf}} +81 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/81.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(1, 9), (1, 10)] +[(0, 0), (0, 13)] \end{verbatim} product bonds broken:\begin{verbatim} -[(0, 0), (0, 13)] +[(1, 0), (1, 11)] \end{verbatim} @@ -4812,25 +4780,25 @@ Terminal.KEEP \end{verbatim} $$ -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[0.17]{1.70} -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[0.17]{1.67} +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}} $$ reactant bonds broken:\begin{verbatim} -[(0, 1), (0, 6)] +[(1, 0), (1, 11)] \end{verbatim} product bonds broken:\begin{verbatim} -[(0, 12), (0, 13)] +[(0, 0), (0, 13)] \end{verbatim} @@ -4844,25 +4812,25 @@ Terminal.KEEP \end{verbatim} $$ -34 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/34.pdf}} +32 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/32.pdf}} + -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}} +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}} + -95 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/95.pdf}} +48 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/48.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(0, 1), (0, 6)] +[(1, 0), (1, 11)] \end{verbatim} product bonds broken:\begin{verbatim} -[(0, 9), (0, 25)] +[(0, 0), (0, 13)] \end{verbatim} @@ -4876,25 +4844,25 @@ Terminal.KEEP \end{verbatim} $$ -34 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/34.pdf}} +33 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/33.pdf}} + -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}} +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}} + -95 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/95.pdf}} +49 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/49.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(0, 1), (0, 6)] +[(1, 0), (1, 11)] \end{verbatim} product bonds broken:\begin{verbatim} -[(0, 12), (0, 25)] +[(0, 0), (0, 13)] \end{verbatim} @@ -4908,25 +4876,25 @@ Terminal.KEEP \end{verbatim} $$ -40 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/40.pdf}} +34 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/34.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}} +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}} + -70 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/70.pdf}} +50 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/50.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(0, 12), (0, 13)] +[(1, 0), (1, 11)] \end{verbatim} product bonds broken:\begin{verbatim} -[(0, 1), (0, 6)] +[(0, 0), (0, 13)] \end{verbatim} @@ -4940,25 +4908,25 @@ Terminal.KEEP \end{verbatim} $$ -41 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/41.pdf}} +34 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/34.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}} +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}} + -68 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/68.pdf}} +48 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/48.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(0, 12), (0, 13)] +[(1, 0), (1, 11)] \end{verbatim} product bonds broken:\begin{verbatim} -[(0, 1), (0, 6)] +[(0, 0), (0, 13)] \end{verbatim} @@ -4972,25 +4940,25 @@ Terminal.KEEP \end{verbatim} $$ -42 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/42.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[0.01]{0.08} +40 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/40.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}} $$ reactant bonds broken:\begin{verbatim} -[(0, 12), (0, 13)] +[(0, 1), (0, 6)] \end{verbatim} product bonds broken:\begin{verbatim} -[(0, 1), (0, 6)] +[(0, 12), (0, 13)] \end{verbatim} @@ -5004,25 +4972,25 @@ Terminal.KEEP \end{verbatim} $$ -26 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/26.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}} -\xrightarrow[0.15]{1.51} -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[0.20]{1.97} +41 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/41.pdf}} + -44 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/44.pdf}} +94 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/94.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(0, 0), (0, 13)] +[(0, 1), (0, 6)] \end{verbatim} product bonds broken:\begin{verbatim} -[(1, 0), (1, 1)] +[(0, 12), (0, 13)] \end{verbatim} @@ -5036,25 +5004,25 @@ Terminal.KEEP \end{verbatim} $$ -27 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/27.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}} -\xrightarrow[0.31]{3.10} -32 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/32.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}} + -45 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/45.pdf}} +95 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/95.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(0, 0), (0, 13)] +[(0, 1), (0, 6)] \end{verbatim} product bonds broken:\begin{verbatim} -[(1, 0), (1, 1)] +[(0, 9), (0, 25)] \end{verbatim} @@ -5068,25 +5036,25 @@ Terminal.KEEP \end{verbatim} $$ -27 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/27.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}} +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}} $$ reactant bonds broken:\begin{verbatim} -[(0, 0), (0, 13)] +[(1, 12), (1, 13)] \end{verbatim} product bonds broken:\begin{verbatim} -[(1, 0), (1, 1)] +[(0, 0), (0, 13)] \end{verbatim} @@ -5100,22 +5068,22 @@ Terminal.KEEP \end{verbatim} $$ -34 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/34.pdf}} +33 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/33.pdf}} + -43 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/43.pdf}} -\xrightarrow[0.08]{0.79} +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}} + -85 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/85.pdf}} +88 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/88.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(1, 0), (1, 1)] +[(1, 9), (1, 10)] \end{verbatim} product bonds broken:\begin{verbatim} [(0, 0), (0, 13)] @@ -5132,25 +5100,25 @@ Terminal.KEEP \end{verbatim} $$ -26 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/26.pdf}} +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[0.47]{4.71} -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[0.09]{0.88} +27 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/27.pdf}} + -61 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/61.pdf}} +67 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/67.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(0, 0), (0, 13)] +[(1, 9), (1, 25)] \end{verbatim} product bonds broken:\begin{verbatim} -[(1, 2), (1, 17)] +[(0, 0), (0, 13)] \end{verbatim} @@ -5164,25 +5132,25 @@ Terminal.KEEP \end{verbatim} $$ -25 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/25.pdf}} +33 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/33.pdf}} + -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}} +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}} + -41 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/41.pdf}} +68 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/68.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(0, 0), (0, 13)] +[(1, 12), (1, 13)] \end{verbatim} product bonds broken:\begin{verbatim} -[(1, 9), (1, 25)] +[(0, 0), (0, 13)] \end{verbatim} @@ -5196,25 +5164,25 @@ Terminal.KEEP \end{verbatim} $$ +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}} + -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}} +89 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/89.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(0, 0), (0, 13)] +[(1, 12), (1, 13)] \end{verbatim} product bonds broken:\begin{verbatim} -[(1, 12), (1, 13)] +[(0, 0), (0, 13)] \end{verbatim} @@ -5228,25 +5196,25 @@ Terminal.KEEP \end{verbatim} $$ -26 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/26.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[0.21]{2.08} -32 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/32.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}} + -41 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/41.pdf}} +67 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/67.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(0, 0), (0, 13)] +[(1, 12), (1, 25)] \end{verbatim} product bonds broken:\begin{verbatim} -[(1, 9), (1, 25)] +[(0, 0), (0, 13)] \end{verbatim} @@ -5260,25 +5228,25 @@ Terminal.KEEP \end{verbatim} $$ -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}} +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}} + -41 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/41.pdf}} +87 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/87.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(0, 0), (0, 13)] +[(1, 12), (1, 13)] \end{verbatim} product bonds broken:\begin{verbatim} -[(1, 12), (1, 13)] +[(0, 0), (0, 13)] \end{verbatim} @@ -5292,12 +5260,12 @@ Terminal.KEEP \end{verbatim} $$ -33 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/33.pdf}} +34 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/34.pdf}} + -42 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/42.pdf}} -\xrightarrow[0.09]{0.88} +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}} + @@ -5324,25 +5292,25 @@ Terminal.KEEP \end{verbatim} $$ -33 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/33.pdf}} +25 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/25.pdf}} + -42 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/42.pdf}} -\xrightarrow[0.16]{1.56} -27 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/27.pdf}} +29 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/29.pdf}} +\xrightarrow[0.10]{1.03} +32 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/32.pdf}} + -68 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/68.pdf}} +79 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/79.pdf}} $$ 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, 10), (1, 34)] \end{verbatim} @@ -5356,22 +5324,22 @@ Terminal.KEEP \end{verbatim} $$ -33 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/33.pdf}} +34 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/34.pdf}} + -93 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/93.pdf}} -\xrightarrow[0.04]{0.43} +41 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/41.pdf}} +\xrightarrow[0.13]{1.29} 27 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/27.pdf}} + -67 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/67.pdf}} +68 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/68.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(1, 12), (1, 25)] +[(1, 12), (1, 13)] \end{verbatim} product bonds broken:\begin{verbatim} [(0, 0), (0, 13)] @@ -5388,25 +5356,25 @@ Terminal.KEEP \end{verbatim} $$ +25 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/25.pdf}} ++ +29 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/29.pdf}} +\xrightarrow[0.18]{1.77} 34 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/34.pdf}} + -41 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/41.pdf}} -\xrightarrow[0.06]{0.61} -27 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/27.pdf}} -+ -67 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/67.pdf}} +77 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/77.pdf}} $$ 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, 10), (1, 34)] \end{verbatim} @@ -5423,22 +5391,22 @@ 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[0.13]{1.29} -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[0.08]{0.85} +42 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/42.pdf}} + -68 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/68.pdf}} +94 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/94.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(1, 12), (1, 13)] +[(0, 1), (0, 6)] \end{verbatim} product bonds broken:\begin{verbatim} -[(0, 0), (0, 13)] +[(0, 9), (0, 25)] \end{verbatim} @@ -5452,25 +5420,25 @@ Terminal.KEEP \end{verbatim} $$ -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}} +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}} + -81 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/81.pdf}} +94 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/94.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(0, 0), (0, 13)] +[(0, 1), (0, 6)] \end{verbatim} product bonds broken:\begin{verbatim} -[(1, 0), (1, 11)] +[(0, 12), (0, 25)] \end{verbatim} @@ -5484,22 +5452,22 @@ Terminal.KEEP \end{verbatim} $$ -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} +66 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/66.pdf}} +\xrightarrow[0.30]{3.00} 25 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/25.pdf}} + -50 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/50.pdf}} +89 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/89.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(1, 0), (1, 11)] +[(1, 9), (1, 10)] \end{verbatim} product bonds broken:\begin{verbatim} [(0, 0), (0, 13)] @@ -5516,22 +5484,22 @@ Terminal.KEEP \end{verbatim} $$ -32 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/32.pdf}} +33 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/33.pdf}} + -82 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/82.pdf}} -\xrightarrow[0.05]{0.48} +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}} $$ reactant bonds broken:\begin{verbatim} -[(1, 0), (1, 11)] +[(1, 10), (1, 34)] \end{verbatim} product bonds broken:\begin{verbatim} [(0, 0), (0, 13)] @@ -5548,22 +5516,22 @@ Terminal.KEEP \end{verbatim} $$ -33 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/33.pdf}} +34 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/34.pdf}} + -82 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/82.pdf}} -\xrightarrow[0.19]{1.86} +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}} + -49 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/49.pdf}} +87 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/87.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(1, 0), (1, 11)] +[(1, 9), (1, 10)] \end{verbatim} product bonds broken:\begin{verbatim} [(0, 0), (0, 13)] @@ -5583,22 +5551,22 @@ 34 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/34.pdf}} + -80 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/80.pdf}} -\xrightarrow[0.32]{3.18} -25 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/25.pdf}} +66 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/66.pdf}} +\xrightarrow[0.17]{1.70} +42 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/42.pdf}} + -50 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/50.pdf}} +94 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/94.pdf}} $$ 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} @@ -5615,22 +5583,22 @@ 34 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/34.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}} +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}} $$ reactant bonds broken:\begin{verbatim} -[(1, 0), (1, 11)] +[(0, 1), (0, 6)] \end{verbatim} product bonds broken:\begin{verbatim} -[(0, 0), (0, 13)] +[(0, 9), (0, 25)] \end{verbatim} @@ -5644,25 +5612,25 @@ Terminal.KEEP \end{verbatim} $$ -25 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/25.pdf}} +17 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/17.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}} +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}} + -79 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/79.pdf}} +48 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/48.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(0, 0), (0, 13)] +[(1, 0), (1, 11)] \end{verbatim} product bonds broken:\begin{verbatim} -[(1, 10), (1, 34)] +[(0, 2), (0, 3)] \end{verbatim} @@ -5676,25 +5644,25 @@ Terminal.KEEP \end{verbatim} $$ -25 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/25.pdf}} +18 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/18.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}} +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}} + -77 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/77.pdf}} +50 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/50.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(0, 0), (0, 13)] +[(1, 0), (1, 11)] \end{verbatim} product bonds broken:\begin{verbatim} -[(1, 10), (1, 34)] +[(0, 2), (0, 3)] \end{verbatim} @@ -5708,25 +5676,25 @@ Terminal.KEEP \end{verbatim} $$ -33 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/33.pdf}} +18 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/18.pdf}} + -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}} +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}} + -28 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/28.pdf}} +48 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/48.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(1, 10), (1, 34)] +[(1, 0), (1, 11)] \end{verbatim} product bonds broken:\begin{verbatim} -[(0, 0), (0, 13)] +[(0, 2), (0, 3)] \end{verbatim} @@ -5740,25 +5708,25 @@ Terminal.KEEP \end{verbatim} $$ -17 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/17.pdf}} +34 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/34.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}} +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}} + -48 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/48.pdf}} +95 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/95.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(1, 0), (1, 11)] +[(0, 1), (0, 6)] \end{verbatim} product bonds broken:\begin{verbatim} -[(0, 2), (0, 3)] +[(0, 12), (0, 25)] \end{verbatim} @@ -5772,25 +5740,25 @@ Terminal.KEEP \end{verbatim} $$ -18 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/18.pdf}} +28 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/28.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}} + -50 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/50.pdf}} +78 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/78.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(1, 0), (1, 11)] +[(1, 2), (1, 3)] \end{verbatim} product bonds broken:\begin{verbatim} -[(0, 2), (0, 3)] +[(1, 10), (1, 34)] \end{verbatim} @@ -5804,25 +5772,25 @@ Terminal.KEEP \end{verbatim} $$ +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}} + -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}} +79 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/79.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(1, 0), (1, 11)] +[(1, 2), (1, 3)] \end{verbatim} product bonds broken:\begin{verbatim} -[(0, 2), (0, 3)] +[(1, 10), (1, 34)] \end{verbatim} @@ -5900,25 +5868,25 @@ Terminal.KEEP \end{verbatim} $$ -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}} + -82 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/82.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}} $$ reactant bonds broken:\begin{verbatim} -[(0, 2), (0, 3)] +[(1, 0), (1, 1)] \end{verbatim} product bonds broken:\begin{verbatim} -[(1, 0), (1, 11)] +[(0, 2), (0, 3)] \end{verbatim} @@ -5932,25 +5900,25 @@ Terminal.KEEP \end{verbatim} $$ -28 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/28.pdf}} +29 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/29.pdf}} + -28 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/28.pdf}} -\xrightarrow[0.04]{0.40} +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}} + -78 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/78.pdf}} +82 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/82.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(1, 2), (1, 3)] +[(0, 2), (0, 3)] \end{verbatim} product bonds broken:\begin{verbatim} -[(1, 10), (1, 34)] +[(1, 0), (1, 11)] \end{verbatim} @@ -5964,25 +5932,25 @@ Terminal.KEEP \end{verbatim} $$ -28 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/28.pdf}} +19 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/19.pdf}} + -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}} +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}} + -79 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/79.pdf}} +46 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/46.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(1, 2), (1, 3)] +[(1, 0), (1, 1)] \end{verbatim} product bonds broken:\begin{verbatim} -[(1, 10), (1, 34)] +[(0, 2), (0, 3)] \end{verbatim} @@ -5996,25 +5964,25 @@ Terminal.KEEP \end{verbatim} $$ -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}} +28 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/28.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}} $$ reactant bonds broken:\begin{verbatim} -[(1, 0), (1, 1)] +[(0, 2), (0, 3)] \end{verbatim} product bonds broken:\begin{verbatim} -[(0, 2), (0, 3)] +[(1, 0), (1, 1)] \end{verbatim} @@ -6028,25 +5996,25 @@ Terminal.KEEP \end{verbatim} $$ -19 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/19.pdf}} +40 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/40.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}} +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}} + -46 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/46.pdf}} +70 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/70.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(1, 0), (1, 1)] +[(0, 12), (0, 13)] \end{verbatim} product bonds broken:\begin{verbatim} -[(0, 2), (0, 3)] +[(0, 1), (0, 6)] \end{verbatim} @@ -6065,12 +6033,12 @@ + 46 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/46.pdf}} -\xrightarrow[0.18]{1.83} -17 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/17.pdf}} +\xrightarrow[0.30]{3.04} +18 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/18.pdf}} + -75 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/75.pdf}} +74 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/74.pdf}} $$ @@ -6092,17 +6060,17 @@ Terminal.KEEP \end{verbatim} $$ -28 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/28.pdf}} +29 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/29.pdf}} + -46 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/46.pdf}} -\xrightarrow[0.30]{3.04} +54 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/54.pdf}} +\xrightarrow[0.37]{3.70} 18 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/18.pdf}} + -74 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/74.pdf}} +73 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/73.pdf}} $$ @@ -6110,7 +6078,7 @@ [(0, 2), (0, 3)] \end{verbatim} product bonds broken:\begin{verbatim} -[(1, 0), (1, 1)] +[(1, 3), (1, 10)] \end{verbatim} @@ -6156,25 +6124,25 @@ Terminal.KEEP \end{verbatim} $$ -29 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/29.pdf}} +41 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/41.pdf}} + -47 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/47.pdf}} -\xrightarrow[0.39]{3.90} -18 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/18.pdf}} +95 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/95.pdf}} +\xrightarrow[0.01]{0.11} +33 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/33.pdf}} + -76 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/76.pdf}} +68 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/68.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(0, 2), (0, 3)] +[(0, 12), (0, 13)] \end{verbatim} product bonds broken:\begin{verbatim} -[(1, 0), (1, 1)] +[(0, 1), (0, 6)] \end{verbatim} @@ -6191,14 +6159,14 @@ 29 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/29.pdf}} + -54 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/54.pdf}} -\xrightarrow[0.37]{3.70} +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}} + -73 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/73.pdf}} +76 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/76.pdf}} $$ @@ -6206,7 +6174,7 @@ [(0, 2), (0, 3)] \end{verbatim} product bonds broken:\begin{verbatim} -[(1, 3), (1, 10)] +[(1, 0), (1, 1)] \end{verbatim} @@ -6252,25 +6220,25 @@ Terminal.KEEP \end{verbatim} $$ -18 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/18.pdf}} +42 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/42.pdf}} + -69 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/69.pdf}} -\xrightarrow[0.27]{2.70} -30 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/30.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}} + -87 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/87.pdf}} +68 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/68.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(1, 12), (1, 13)] +[(0, 12), (0, 13)] \end{verbatim} product bonds broken:\begin{verbatim} -[(0, 2), (0, 3)] +[(0, 1), (0, 6)] \end{verbatim} @@ -6287,9 +6255,9 @@ 18 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/18.pdf}} + -70 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/70.pdf}} -\xrightarrow[0.15]{1.53} +69 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/69.pdf}} +\xrightarrow[0.27]{2.70} 30 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/30.pdf}} + @@ -6299,7 +6267,7 @@ reactant bonds broken:\begin{verbatim} -[(1, 9), (1, 10)] +[(1, 12), (1, 13)] \end{verbatim} product bonds broken:\begin{verbatim} [(0, 2), (0, 3)] @@ -6316,12 +6284,12 @@ Terminal.KEEP \end{verbatim} $$ -19 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/19.pdf}} +18 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/18.pdf}} + -67 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/67.pdf}} -\xrightarrow[0.45]{4.48} +70 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/70.pdf}} +\xrightarrow[0.15]{1.53} 30 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/30.pdf}} + @@ -6331,7 +6299,7 @@ reactant bonds broken:\begin{verbatim} -[(1, 12), (1, 13)] +[(1, 9), (1, 10)] \end{verbatim} product bonds broken:\begin{verbatim} [(0, 2), (0, 3)] @@ -6348,22 +6316,22 @@ Terminal.KEEP \end{verbatim} $$ -19 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/19.pdf}} +18 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/18.pdf}} + -68 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/68.pdf}} -\xrightarrow[0.38]{3.79} +45 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/45.pdf}} +\xrightarrow[0.02]{0.17} 30 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/30.pdf}} + -87 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/87.pdf}} +85 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/85.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(1, 9), (1, 10)] +[(1, 0), (1, 1)] \end{verbatim} product bonds broken:\begin{verbatim} [(0, 2), (0, 3)] @@ -6380,25 +6348,25 @@ Terminal.KEEP \end{verbatim} $$ -28 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/28.pdf}} +19 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/19.pdf}} + -87 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/87.pdf}} -\xrightarrow[0.13]{1.31} -17 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/17.pdf}} +44 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/44.pdf}} +\xrightarrow[0.55]{5.55} +30 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/30.pdf}} + -67 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/67.pdf}} +85 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/85.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(0, 2), (0, 3)] +[(1, 0), (1, 1)] \end{verbatim} product bonds broken:\begin{verbatim} -[(1, 12), (1, 13)] +[(0, 2), (0, 3)] \end{verbatim} @@ -6412,25 +6380,25 @@ Terminal.KEEP \end{verbatim} $$ -28 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/28.pdf}} +19 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/19.pdf}} ++ +67 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/67.pdf}} +\xrightarrow[0.45]{4.48} +30 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/30.pdf}} + 87 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/87.pdf}} -\xrightarrow[0.20]{2.00} -17 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/17.pdf}} -+ -68 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/68.pdf}} $$ 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, 2), (0, 3)] \end{verbatim} @@ -6447,14 +6415,14 @@ 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[0.25]{2.46} -18 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/18.pdf}} +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}} + -65 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/65.pdf}} +44 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/44.pdf}} $$ @@ -6462,7 +6430,7 @@ [(0, 2), (0, 3)] \end{verbatim} product bonds broken:\begin{verbatim} -[(1, 12), (1, 13)] +[(1, 0), (1, 1)] \end{verbatim} @@ -6479,14 +6447,14 @@ 28 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/28.pdf}} + -87 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/87.pdf}} -\xrightarrow[0.16]{1.61} +85 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/85.pdf}} +\xrightarrow[0.18]{1.78} 18 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/18.pdf}} + -66 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/66.pdf}} +43 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/43.pdf}} $$ @@ -6494,7 +6462,7 @@ [(0, 2), (0, 3)] \end{verbatim} product bonds broken:\begin{verbatim} -[(1, 9), (1, 10)] +[(1, 0), (1, 1)] \end{verbatim} @@ -6508,17 +6476,17 @@ Terminal.KEEP \end{verbatim} $$ -28 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/28.pdf}} +29 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/29.pdf}} + -88 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/88.pdf}} -\xrightarrow[0.01]{0.08} +86 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/86.pdf}} +\xrightarrow[0.52]{5.17} 18 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/18.pdf}} + -68 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/68.pdf}} +45 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/45.pdf}} $$ @@ -6526,7 +6494,7 @@ [(0, 2), (0, 3)] \end{verbatim} product bonds broken:\begin{verbatim} -[(1, 9), (1, 10)] +[(1, 0), (1, 1)] \end{verbatim} @@ -6540,17 +6508,17 @@ Terminal.KEEP \end{verbatim} $$ -28 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/28.pdf}} +30 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/30.pdf}} + -89 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/89.pdf}} -\xrightarrow[0.05]{0.52} -18 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/18.pdf}} +86 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/86.pdf}} +\xrightarrow[0.07]{0.70} +19 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/19.pdf}} + -70 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/70.pdf}} +45 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/45.pdf}} $$ @@ -6558,7 +6526,7 @@ [(0, 2), (0, 3)] \end{verbatim} product bonds broken:\begin{verbatim} -[(1, 9), (1, 10)] +[(1, 0), (1, 1)] \end{verbatim} @@ -6572,25 +6540,25 @@ Terminal.KEEP \end{verbatim} $$ -29 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/29.pdf}} -+ -87 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/87.pdf}} -\xrightarrow[0.07]{0.67} -18 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/18.pdf}} +19 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/19.pdf}} + 68 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/68.pdf}} +\xrightarrow[0.38]{3.79} +30 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/30.pdf}} ++ +87 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/87.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(0, 2), (0, 3)] +[(1, 9), (1, 10)] \end{verbatim} product bonds broken:\begin{verbatim} -[(1, 9), (1, 10)] +[(0, 2), (0, 3)] \end{verbatim} @@ -6604,25 +6572,25 @@ Terminal.KEEP \end{verbatim} $$ -29 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/29.pdf}} +19 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/19.pdf}} + -88 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/88.pdf}} -\xrightarrow[0.31]{3.11} -18 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/18.pdf}} +41 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/41.pdf}} +\xrightarrow[0.50]{4.98} +30 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/30.pdf}} + -69 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/69.pdf}} +65 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/65.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(0, 2), (0, 3)] +[(1, 9), (1, 25)] \end{verbatim} product bonds broken:\begin{verbatim} -[(1, 12), (1, 13)] +[(0, 2), (0, 3)] \end{verbatim} @@ -6636,25 +6604,25 @@ Terminal.KEEP \end{verbatim} $$ -29 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/29.pdf}} +19 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/19.pdf}} + -88 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/88.pdf}} -\xrightarrow[0.43]{4.27} -18 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/18.pdf}} +41 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/41.pdf}} +\xrightarrow[0.41]{4.13} +30 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/30.pdf}} + -70 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/70.pdf}} +66 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/66.pdf}} $$ 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, 2), (0, 3)] \end{verbatim} @@ -6668,25 +6636,25 @@ Terminal.KEEP \end{verbatim} $$ -18 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/18.pdf}} +28 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/28.pdf}} + -45 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/45.pdf}} -\xrightarrow[0.02]{0.17} -30 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/30.pdf}} +87 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/87.pdf}} +\xrightarrow[0.13]{1.31} +17 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/17.pdf}} + -85 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/85.pdf}} +67 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/67.pdf}} $$ 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, 12), (1, 13)] \end{verbatim} @@ -6703,22 +6671,22 @@ 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} +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}} ++ 30 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/30.pdf}} -+ -85 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/85.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(1, 0), (1, 1)] +[(1, 2), (1, 3)] \end{verbatim} product bonds broken:\begin{verbatim} -[(0, 2), (0, 3)] +[(1, 2), (1, 3)] \end{verbatim} @@ -6735,14 +6703,14 @@ 28 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/28.pdf}} + -85 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/85.pdf}} -\xrightarrow[0.02]{0.24} +87 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/87.pdf}} +\xrightarrow[0.20]{2.00} 17 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/17.pdf}} + -44 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/44.pdf}} +68 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/68.pdf}} $$ @@ -6750,7 +6718,7 @@ [(0, 2), (0, 3)] \end{verbatim} product bonds broken:\begin{verbatim} -[(1, 0), (1, 1)] +[(1, 9), (1, 10)] \end{verbatim} @@ -6767,14 +6735,14 @@ 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} -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}} + -43 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/43.pdf}} +41 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/41.pdf}} $$ @@ -6782,7 +6750,7 @@ [(0, 2), (0, 3)] \end{verbatim} product bonds broken:\begin{verbatim} -[(1, 0), (1, 1)] +[(1, 9), (1, 25)] \end{verbatim} @@ -6796,25 +6764,25 @@ Terminal.KEEP \end{verbatim} $$ -29 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/29.pdf}} +17 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/17.pdf}} + -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}} +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}} + -45 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/45.pdf}} +32 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/32.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(0, 2), (0, 3)] +[(1, 0), (1, 13)] \end{verbatim} product bonds broken:\begin{verbatim} -[(1, 0), (1, 1)] +[(0, 2), (0, 3)] \end{verbatim} @@ -6828,17 +6796,17 @@ Terminal.KEEP \end{verbatim} $$ -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}} +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}} + -45 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/45.pdf}} +65 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/65.pdf}} $$ @@ -6846,7 +6814,7 @@ [(0, 2), (0, 3)] \end{verbatim} product bonds broken:\begin{verbatim} -[(1, 0), (1, 1)] +[(1, 12), (1, 13)] \end{verbatim} @@ -6860,25 +6828,57 @@ Terminal.KEEP \end{verbatim} $$ -19 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/19.pdf}} +18 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/18.pdf}} + -41 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/41.pdf}} -\xrightarrow[0.50]{4.98} +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}} +$$ + + +reactant bonds broken:\begin{verbatim} +[(1, 0), (1, 13)] +\end{verbatim} +product bonds broken:\begin{verbatim} +[(0, 2), (0, 3)] +\end{verbatim} + + + + +\vspace{1cm} +\begin{verbatim} +more than one reactant +fragment matching found +free_energy dG is above threshold=0.0 +Terminal.KEEP +\end{verbatim} +$$ +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[0.06]{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}} $$ reactant bonds broken:\begin{verbatim} -[(1, 9), (1, 25)] +[(0, 2), (0, 3)] \end{verbatim} product bonds broken:\begin{verbatim} -[(0, 2), (0, 3)] +[(1, 9), (1, 25)] \end{verbatim} @@ -6895,19 +6895,19 @@ 19 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/19.pdf}} + -41 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/41.pdf}} -\xrightarrow[0.41]{4.13} +26 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/26.pdf}} +\xrightarrow[0.71]{7.06} 30 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/30.pdf}} + -66 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/66.pdf}} +32 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/32.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(1, 12), (1, 13)] +[(1, 0), (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}} + -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}} +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}} + -41 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/41.pdf}} +66 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/66.pdf}} $$ @@ -6942,7 +6942,7 @@ [(0, 2), (0, 3)] \end{verbatim} product bonds broken:\begin{verbatim} -[(1, 9), (1, 25)] +[(1, 9), (1, 10)] \end{verbatim} @@ -6959,14 +6959,14 @@ 28 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/28.pdf}} + -65 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/65.pdf}} -\xrightarrow[0.06]{0.62} +88 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/88.pdf}} +\xrightarrow[0.01]{0.08} 18 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/18.pdf}} + -40 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/40.pdf}} +68 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/68.pdf}} $$ @@ -6974,7 +6974,7 @@ [(0, 2), (0, 3)] \end{verbatim} product bonds broken:\begin{verbatim} -[(1, 9), (1, 25)] +[(1, 9), (1, 10)] \end{verbatim} @@ -7023,14 +7023,14 @@ 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} +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}} + -40 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/40.pdf}} +25 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/25.pdf}} $$ @@ -7038,7 +7038,7 @@ [(0, 2), (0, 3)] \end{verbatim} product bonds broken:\begin{verbatim} -[(1, 12), (1, 13)] +[(1, 0), (1, 13)] \end{verbatim} @@ -7055,14 +7055,14 @@ 28 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/28.pdf}} + -67 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/67.pdf}} -\xrightarrow[0.20]{1.97} +34 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/34.pdf}} +\xrightarrow[0.26]{2.57} 18 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/18.pdf}} + -41 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/41.pdf}} +27 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/27.pdf}} $$ @@ -7070,7 +7070,7 @@ [(0, 2), (0, 3)] \end{verbatim} product bonds broken:\begin{verbatim} -[(1, 9), (1, 25)] +[(1, 0), (1, 13)] \end{verbatim} @@ -7087,14 +7087,14 @@ 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[0.13]{1.28} +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}} + -41 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/41.pdf}} +70 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/70.pdf}} $$ @@ -7102,7 +7102,7 @@ [(0, 2), (0, 3)] \end{verbatim} product bonds broken:\begin{verbatim} -[(1, 12), (1, 13)] +[(1, 9), (1, 10)] \end{verbatim} @@ -7119,14 +7119,14 @@ 28 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/28.pdf}} + -69 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/69.pdf}} -\xrightarrow[0.01]{0.10} +66 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/66.pdf}} +\xrightarrow[0.15]{1.47} 18 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/18.pdf}} + -42 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/42.pdf}} +40 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/40.pdf}} $$ @@ -7134,7 +7134,7 @@ [(0, 2), (0, 3)] \end{verbatim} product bonds broken:\begin{verbatim} -[(1, 9), (1, 25)] +[(1, 12), (1, 13)] \end{verbatim} @@ -7148,17 +7148,17 @@ Terminal.KEEP \end{verbatim} $$ -28 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/28.pdf}} +29 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/29.pdf}} + -69 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/69.pdf}} -\xrightarrow[0.05]{0.54} +33 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/33.pdf}} +\xrightarrow[0.47]{4.68} 18 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/18.pdf}} + -93 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/93.pdf}} +27 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/27.pdf}} $$ @@ -7166,7 +7166,7 @@ [(0, 2), (0, 3)] \end{verbatim} product bonds broken:\begin{verbatim} -[(1, 12), (1, 25)] +[(1, 0), (1, 13)] \end{verbatim} @@ -7180,25 +7180,25 @@ Terminal.KEEP \end{verbatim} $$ -28 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/28.pdf}} +29 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/29.pdf}} + -69 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/69.pdf}} -\xrightarrow[0.10]{1.04} -78 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/78.pdf}} +87 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/87.pdf}} +\xrightarrow[0.07]{0.67} +18 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/18.pdf}} + -89 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/89.pdf}} +68 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/68.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(1, 12), (1, 13)] +[(0, 2), (0, 3)] \end{verbatim} product bonds broken:\begin{verbatim} -[(0, 10), (0, 34)] +[(1, 9), (1, 10)] \end{verbatim} @@ -7215,22 +7215,22 @@ 29 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/29.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}} +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}} + -42 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/42.pdf}} +95 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/95.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(0, 2), (0, 3)] +[(1, 1), (1, 6)] \end{verbatim} product bonds broken:\begin{verbatim} -[(1, 9), (1, 25)] +[(0, 10), (0, 34)] \end{verbatim} @@ -7244,17 +7244,17 @@ Terminal.KEEP \end{verbatim} $$ -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}} +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}} + -93 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/93.pdf}} +41 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/41.pdf}} $$ @@ -7262,7 +7262,7 @@ [(0, 2), (0, 3)] \end{verbatim} product bonds broken:\begin{verbatim} -[(1, 12), (1, 25)] +[(1, 9), (1, 25)] \end{verbatim} @@ -7276,25 +7276,25 @@ Terminal.KEEP \end{verbatim} $$ -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}} $$ reactant bonds broken:\begin{verbatim} -[(1, 12), (1, 13)] +[(0, 2), (0, 3)] \end{verbatim} product bonds broken:\begin{verbatim} -[(0, 10), (0, 34)] +[(1, 0), (1, 13)] \end{verbatim} @@ -7311,14 +7311,14 @@ 29 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/29.pdf}} + -66 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/66.pdf}} -\xrightarrow[0.35]{3.50} -17 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/17.pdf}} +88 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/88.pdf}} +\xrightarrow[0.31]{3.11} +18 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/18.pdf}} + -42 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/42.pdf}} +69 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/69.pdf}} $$ @@ -7343,14 +7343,14 @@ 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[0.03]{0.33} +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}} + -41 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/41.pdf}} +70 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/70.pdf}} $$ @@ -7358,7 +7358,7 @@ [(0, 2), (0, 3)] \end{verbatim} product bonds broken:\begin{verbatim} -[(1, 12), (1, 13)] +[(1, 9), (1, 10)] \end{verbatim} @@ -7372,25 +7372,25 @@ Terminal.KEEP \end{verbatim} $$ -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[0.48]{4.77} -77 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/77.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}} + -89 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/89.pdf}} +32 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/32.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(1, 9), (1, 10)] +[(0, 10), (0, 34)] \end{verbatim} product bonds broken:\begin{verbatim} -[(0, 10), (0, 34)] +[(1, 1), (1, 6)] \end{verbatim} @@ -7404,25 +7404,25 @@ Terminal.KEEP \end{verbatim} $$ -29 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/29.pdf}} +28 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/28.pdf}} + -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}} +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}} + -87 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/87.pdf}} +41 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/41.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(1, 9), (1, 10)] +[(0, 2), (0, 3)] \end{verbatim} product bonds broken:\begin{verbatim} -[(0, 10), (0, 34)] +[(1, 12), (1, 13)] \end{verbatim} @@ -7436,25 +7436,25 @@ Terminal.KEEP \end{verbatim} $$ -29 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/29.pdf}} +79 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/79.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}} +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}} + -42 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/42.pdf}} +34 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/34.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(0, 2), (0, 3)] +[(0, 10), (0, 34)] \end{verbatim} product bonds broken:\begin{verbatim} -[(1, 9), (1, 25)] +[(1, 1), (1, 6)] \end{verbatim} @@ -7468,17 +7468,17 @@ Terminal.KEEP \end{verbatim} $$ -29 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/29.pdf}} +28 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/28.pdf}} + -67 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/67.pdf}} -\xrightarrow[0.42]{4.25} +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}} + -93 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/93.pdf}} +42 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/42.pdf}} $$ @@ -7486,7 +7486,7 @@ [(0, 2), (0, 3)] \end{verbatim} product bonds broken:\begin{verbatim} -[(1, 12), (1, 25)] +[(1, 9), (1, 25)] \end{verbatim} @@ -7500,17 +7500,17 @@ Terminal.KEEP \end{verbatim} $$ -29 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/29.pdf}} +28 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/28.pdf}} + -68 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/68.pdf}} -\xrightarrow[0.31]{3.12} +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}} + -42 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/42.pdf}} +93 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/93.pdf}} $$ @@ -7518,7 +7518,7 @@ [(0, 2), (0, 3)] \end{verbatim} product bonds broken:\begin{verbatim} -[(1, 12), (1, 13)] +[(1, 12), (1, 25)] \end{verbatim} @@ -7532,25 +7532,25 @@ Terminal.KEEP \end{verbatim} $$ -79 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/79.pdf}} +15 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/15.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}} +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}} + -65 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/65.pdf}} +72 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/72.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(0, 10), (0, 34)] +[(0, 1), (0, 32)] \end{verbatim} product bonds broken:\begin{verbatim} -[(1, 12), (1, 13)] +[(0, 1), (0, 6)] \end{verbatim} @@ -7564,25 +7564,25 @@ Terminal.KEEP \end{verbatim} $$ -79 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/79.pdf}} +14 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/14.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}} +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}} + -69 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/69.pdf}} +71 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/71.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(0, 10), (0, 34)] +[(0, 1), (0, 32)] \end{verbatim} product bonds broken:\begin{verbatim} -[(1, 12), (1, 13)] +[(0, 9), (0, 10)] \end{verbatim} @@ -7596,25 +7596,25 @@ Terminal.KEEP \end{verbatim} $$ -79 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/79.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}} + -70 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/70.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}} $$ reactant bonds broken:\begin{verbatim} -[(0, 10), (0, 34)] +[(1, 12), (1, 13)] \end{verbatim} product bonds broken:\begin{verbatim} -[(1, 9), (1, 10)] +[(0, 10), (0, 34)] \end{verbatim} @@ -7628,25 +7628,25 @@ Terminal.KEEP \end{verbatim} $$ -19 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/19.pdf}} +32 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/32.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}} +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}} + -30 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/30.pdf}} +96 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/96.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(1, 2), (1, 3)] +[(0, 1), (0, 6)] \end{verbatim} product bonds broken:\begin{verbatim} -[(1, 2), (1, 3)] +[(0, 1), (0, 32)] \end{verbatim} @@ -7660,25 +7660,25 @@ Terminal.KEEP \end{verbatim} $$ -17 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/17.pdf}} +33 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/33.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}} +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}} + -32 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/32.pdf}} +94 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/94.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(1, 0), (1, 13)] +[(0, 1), (0, 6)] \end{verbatim} product bonds broken:\begin{verbatim} -[(0, 2), (0, 3)] +[(0, 1), (0, 32)] \end{verbatim} @@ -7692,25 +7692,25 @@ Terminal.KEEP \end{verbatim} $$ -18 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/18.pdf}} +29 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/29.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}} +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}} + -32 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/32.pdf}} +42 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/42.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(1, 0), (1, 13)] +[(0, 2), (0, 3)] \end{verbatim} product bonds broken:\begin{verbatim} -[(0, 2), (0, 3)] +[(1, 9), (1, 25)] \end{verbatim} @@ -7724,25 +7724,25 @@ Terminal.KEEP \end{verbatim} $$ -19 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/19.pdf}} +33 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/33.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}} +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}} +95 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/95.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(1, 0), (1, 13)] +[(0, 1), (0, 6)] \end{verbatim} product bonds broken:\begin{verbatim} -[(0, 2), (0, 3)] +[(0, 1), (0, 32)] \end{verbatim} @@ -7756,17 +7756,17 @@ Terminal.KEEP \end{verbatim} $$ -28 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/28.pdf}} +29 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/29.pdf}} + -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}} +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}} + -25 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/25.pdf}} +93 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/93.pdf}} $$ @@ -7774,7 +7774,7 @@ [(0, 2), (0, 3)] \end{verbatim} product bonds broken:\begin{verbatim} -[(1, 0), (1, 13)] +[(1, 12), (1, 25)] \end{verbatim} @@ -7788,25 +7788,25 @@ Terminal.KEEP \end{verbatim} $$ -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} -18 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/18.pdf}} +33 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/33.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}} $$ reactant bonds broken:\begin{verbatim} -[(0, 2), (0, 3)] +[(1, 3), (1, 10)] \end{verbatim} product bonds broken:\begin{verbatim} -[(1, 0), (1, 13)] +[(0, 0), (0, 13)] \end{verbatim} @@ -7820,25 +7820,25 @@ Terminal.KEEP \end{verbatim} $$ -29 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/29.pdf}} +15 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/15.pdf}} + -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}} +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}} + -27 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/27.pdf}} +72 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/72.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(0, 2), (0, 3)] +[(0, 1), (0, 32)] \end{verbatim} product bonds broken:\begin{verbatim} -[(1, 0), (1, 13)] +[(0, 9), (0, 10)] \end{verbatim} @@ -7855,19 +7855,19 @@ 29 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/29.pdf}} + -33 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/33.pdf}} -\xrightarrow[0.05]{0.46} -79 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/79.pdf}} +65 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/65.pdf}} +\xrightarrow[0.39]{3.92} +77 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/77.pdf}} + -95 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/95.pdf}} +89 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/89.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(1, 1), (1, 6)] +[(1, 12), (1, 13)] \end{verbatim} product bonds broken:\begin{verbatim} [(0, 10), (0, 34)] @@ -7884,17 +7884,17 @@ Terminal.KEEP \end{verbatim} $$ -30 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/30.pdf}} +29 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/29.pdf}} + -33 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/33.pdf}} -\xrightarrow[0.02]{0.22} -19 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/19.pdf}} +66 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/66.pdf}} +\xrightarrow[0.35]{3.50} +17 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/17.pdf}} + -27 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/27.pdf}} +42 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/42.pdf}} $$ @@ -7902,7 +7902,7 @@ [(0, 2), (0, 3)] \end{verbatim} product bonds broken:\begin{verbatim} -[(1, 0), (1, 13)] +[(1, 12), (1, 13)] \end{verbatim} @@ -7916,25 +7916,25 @@ Terminal.KEEP \end{verbatim} $$ -78 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/78.pdf}} +34 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/34.pdf}} + -96 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/96.pdf}} -\xrightarrow[0.45]{4.53} -30 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/30.pdf}} +71 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/71.pdf}} +\xrightarrow[0.03]{0.28} +15 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/15.pdf}} + -32 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/32.pdf}} +94 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/94.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(0, 10), (0, 34)] +[(0, 1), (0, 6)] \end{verbatim} product bonds broken:\begin{verbatim} -[(1, 1), (1, 6)] +[(0, 1), (0, 32)] \end{verbatim} @@ -7948,25 +7948,25 @@ Terminal.KEEP \end{verbatim} $$ -79 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/79.pdf}} +15 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/15.pdf}} + -95 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/95.pdf}} -\xrightarrow[0.16]{1.64} -28 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/28.pdf}} +86 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/86.pdf}} +\xrightarrow[0.18]{1.79} +45 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/45.pdf}} + -34 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/34.pdf}} +72 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/72.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(0, 10), (0, 34)] +[(0, 1), (0, 32)] \end{verbatim} product bonds broken:\begin{verbatim} -[(1, 1), (1, 6)] +[(0, 0), (0, 1)] \end{verbatim} @@ -7980,25 +7980,25 @@ Terminal.KEEP \end{verbatim} $$ -15 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/15.pdf}} +42 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/42.pdf}} + -95 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/95.pdf}} -\xrightarrow[0.01]{0.12} -34 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/34.pdf}} +54 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/54.pdf}} +\xrightarrow[0.06]{0.58} +68 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/68.pdf}} + -72 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/72.pdf}} +73 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/73.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(0, 1), (0, 32)] +[(0, 12), (0, 13)] \end{verbatim} product bonds broken:\begin{verbatim} -[(0, 1), (0, 6)] +[(1, 3), (1, 10)] \end{verbatim} @@ -8012,25 +8012,25 @@ Terminal.KEEP \end{verbatim} $$ -32 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/32.pdf}} +29 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/29.pdf}} + -73 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/73.pdf}} -\xrightarrow[0.02]{0.25} -13 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/13.pdf}} +66 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/66.pdf}} +\xrightarrow[0.03]{0.33} +18 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/18.pdf}} + -96 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/96.pdf}} +41 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/41.pdf}} $$ 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, 12), (1, 13)] \end{verbatim} @@ -8044,22 +8044,22 @@ Terminal.KEEP \end{verbatim} $$ -33 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/33.pdf}} +43 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/43.pdf}} + -71 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/71.pdf}} -\xrightarrow[0.16]{1.62} +72 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/72.pdf}} +\xrightarrow[0.08]{0.84} 14 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/14.pdf}} + -94 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/94.pdf}} +85 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/85.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(0, 1), (0, 6)] +[(0, 0), (0, 1)] \end{verbatim} product bonds broken:\begin{verbatim} [(0, 1), (0, 32)] @@ -8076,25 +8076,25 @@ Terminal.KEEP \end{verbatim} $$ -33 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/33.pdf}} +29 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/29.pdf}} + -72 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/72.pdf}} -\xrightarrow[0.12]{1.22} -14 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/14.pdf}} +66 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/66.pdf}} +\xrightarrow[0.48]{4.77} +77 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/77.pdf}} + -95 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/95.pdf}} +89 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/89.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(0, 1), (0, 6)] +[(1, 9), (1, 10)] \end{verbatim} product bonds broken:\begin{verbatim} -[(0, 1), (0, 32)] +[(0, 10), (0, 34)] \end{verbatim} @@ -8108,25 +8108,25 @@ Terminal.KEEP \end{verbatim} $$ -33 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/33.pdf}} +29 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/29.pdf}} + -73 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/73.pdf}} -\xrightarrow[0.10]{0.98} -27 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/27.pdf}} +66 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/66.pdf}} +\xrightarrow[0.02]{0.25} +79 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/79.pdf}} + -54 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/54.pdf}} +87 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/87.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(1, 3), (1, 10)] +[(1, 9), (1, 10)] \end{verbatim} product bonds broken:\begin{verbatim} -[(0, 0), (0, 13)] +[(0, 10), (0, 34)] \end{verbatim} @@ -8140,22 +8140,22 @@ Terminal.KEEP \end{verbatim} $$ -34 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/34.pdf}} +44 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/44.pdf}} + 71 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/71.pdf}} -\xrightarrow[0.03]{0.28} -15 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/15.pdf}} +\xrightarrow[0.11]{1.07} +14 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/14.pdf}} + -94 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/94.pdf}} +85 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/85.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(0, 1), (0, 6)] +[(0, 0), (0, 1)] \end{verbatim} product bonds broken:\begin{verbatim} [(0, 1), (0, 32)] @@ -8172,25 +8172,57 @@ Terminal.KEEP \end{verbatim} $$ +29 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/29.pdf}} ++ +67 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/67.pdf}} +\xrightarrow[0.38]{3.80} +18 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/18.pdf}} ++ +42 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/42.pdf}} +$$ + + +reactant bonds broken:\begin{verbatim} +[(0, 2), (0, 3)] +\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} +$$ +65 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/65.pdf}} ++ +72 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/72.pdf}} +\xrightarrow[0.02]{0.15} 14 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/14.pdf}} + 87 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/87.pdf}} -\xrightarrow[0.07]{0.68} -68 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/68.pdf}} -+ -71 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/71.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(0, 1), (0, 32)] +[(0, 12), (0, 13)] \end{verbatim} product bonds broken:\begin{verbatim} -[(0, 9), (0, 10)] +[(0, 1), (0, 32)] \end{verbatim} @@ -8204,25 +8236,25 @@ Terminal.KEEP \end{verbatim} $$ -15 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/15.pdf}} +29 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/29.pdf}} + -88 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/88.pdf}} -\xrightarrow[0.09]{0.89} -70 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/70.pdf}} +67 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/67.pdf}} +\xrightarrow[0.42]{4.25} +18 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/18.pdf}} + -72 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/72.pdf}} +93 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/93.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(0, 1), (0, 32)] +[(0, 2), (0, 3)] \end{verbatim} product bonds broken:\begin{verbatim} -[(0, 9), (0, 10)] +[(1, 12), (1, 25)] \end{verbatim} @@ -8236,25 +8268,25 @@ Terminal.KEEP \end{verbatim} $$ -42 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/42.pdf}} +14 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/14.pdf}} + -54 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/54.pdf}} -\xrightarrow[0.06]{0.58} -68 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/68.pdf}} +83 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/83.pdf}} +\xrightarrow[0.21]{2.13} +61 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/61.pdf}} + -73 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/73.pdf}} +71 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/71.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(0, 12), (0, 13)] +[(0, 1), (0, 32)] \end{verbatim} product bonds broken:\begin{verbatim} -[(1, 3), (1, 10)] +[(0, 2), (0, 17)] \end{verbatim} @@ -8268,25 +8300,25 @@ Terminal.KEEP \end{verbatim} $$ -65 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/65.pdf}} +29 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/29.pdf}} + -72 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/72.pdf}} -\xrightarrow[0.02]{0.15} -14 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/14.pdf}} +68 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/68.pdf}} +\xrightarrow[0.31]{3.12} +18 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/18.pdf}} + -87 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/87.pdf}} +42 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/42.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(0, 12), (0, 13)] +[(0, 2), (0, 3)] \end{verbatim} product bonds broken:\begin{verbatim} -[(0, 1), (0, 32)] +[(1, 12), (1, 13)] \end{verbatim} @@ -8332,25 +8364,25 @@ Terminal.KEEP \end{verbatim} $$ -66 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/66.pdf}} -+ -72 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/72.pdf}} -\xrightarrow[0.10]{1.00} -14 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/14.pdf}} +79 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/79.pdf}} + 87 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/87.pdf}} +\xrightarrow[0.06]{0.60} +29 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/29.pdf}} ++ +65 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/65.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(0, 9), (0, 10)] +[(0, 10), (0, 34)] \end{verbatim} product bonds broken:\begin{verbatim} -[(0, 1), (0, 32)] +[(1, 12), (1, 13)] \end{verbatim} @@ -8367,14 +8399,14 @@ 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[0.15]{1.51} -13 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/13.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}} + -89 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/89.pdf}} +87 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/87.pdf}} $$ @@ -8396,25 +8428,25 @@ Terminal.KEEP \end{verbatim} $$ -67 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/67.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[0.00]{0.00} -14 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/14.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}} + -87 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/87.pdf}} +69 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/69.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(0, 12), (0, 13)] +[(0, 10), (0, 34)] \end{verbatim} product bonds broken:\begin{verbatim} -[(0, 1), (0, 32)] +[(1, 12), (1, 13)] \end{verbatim} @@ -8428,25 +8460,25 @@ Terminal.KEEP \end{verbatim} $$ -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[0.29]{2.93} +13 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/13.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}} -+ -54 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/54.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(1, 3), (1, 10)] +[(1, 3), (1, 11)] \end{verbatim} product bonds broken:\begin{verbatim} -[(0, 9), (0, 25)] +[(1, 3), (1, 10)] \end{verbatim} @@ -8460,25 +8492,25 @@ Terminal.KEEP \end{verbatim} $$ -67 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/67.pdf}} +79 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/79.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}} +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}} + -93 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/93.pdf}} +70 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/70.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(1, 3), (1, 10)] +[(0, 10), (0, 34)] \end{verbatim} product bonds broken:\begin{verbatim} -[(1, 12), (1, 25)] +[(1, 9), (1, 10)] \end{verbatim} @@ -8492,25 +8524,25 @@ Terminal.KEEP \end{verbatim} $$ -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[0.19]{1.88} 13 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/13.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}} +\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}} $$ reactant bonds broken:\begin{verbatim} -[(0, 12), (0, 13)] +[(0, 1), (0, 32)] \end{verbatim} product bonds broken:\begin{verbatim} -[(0, 1), (0, 32)] +[(0, 9), (0, 25)] \end{verbatim} @@ -8524,14 +8556,14 @@ Terminal.KEEP \end{verbatim} $$ -69 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/69.pdf}} +66 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/66.pdf}} + -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}} +73 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/73.pdf}} +\xrightarrow[0.15]{1.51} +13 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/13.pdf}} + 89 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/89.pdf}} @@ -8539,7 +8571,7 @@ reactant bonds broken:\begin{verbatim} -[(0, 12), (0, 13)] +[(0, 9), (0, 10)] \end{verbatim} product bonds broken:\begin{verbatim} [(0, 1), (0, 32)] @@ -8556,25 +8588,25 @@ Terminal.KEEP \end{verbatim} $$ -69 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/69.pdf}} +14 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/14.pdf}} + -72 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/72.pdf}} -\xrightarrow[0.03]{0.27} -15 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/15.pdf}} +66 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/66.pdf}} +\xrightarrow[0.03]{0.35} +41 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/41.pdf}} + -88 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/88.pdf}} +71 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/71.pdf}} $$ 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, 12), (0, 13)] \end{verbatim} @@ -8588,22 +8620,22 @@ Terminal.KEEP \end{verbatim} $$ -70 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/70.pdf}} +67 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/67.pdf}} + 71 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/71.pdf}} -\xrightarrow[0.07]{0.71} -13 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/13.pdf}} +\xrightarrow[0.00]{0.00} +14 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/14.pdf}} + -89 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/89.pdf}} +87 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/87.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(0, 9), (0, 10)] +[(0, 12), (0, 13)] \end{verbatim} product bonds broken:\begin{verbatim} [(0, 1), (0, 32)] @@ -8620,25 +8652,25 @@ Terminal.KEEP \end{verbatim} $$ -70 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/70.pdf}} +15 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/15.pdf}} + +54 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/54.pdf}} +\xrightarrow[0.03]{0.32} 72 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/72.pdf}} -\xrightarrow[0.21]{2.10} -14 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/14.pdf}} + -89 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/89.pdf}} +73 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/73.pdf}} $$ 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, 3), (1, 10)] \end{verbatim} @@ -8655,14 +8687,14 @@ 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}} +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}} + -72 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/72.pdf}} +71 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/71.pdf}} $$ @@ -8670,7 +8702,7 @@ [(0, 1), (0, 32)] \end{verbatim} product bonds broken:\begin{verbatim} -[(0, 0), (0, 1)] +[(0, 9), (0, 25)] \end{verbatim} @@ -8684,25 +8716,25 @@ Terminal.KEEP \end{verbatim} $$ -43 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/43.pdf}} +15 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/15.pdf}} + -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}} +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}} + -85 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/85.pdf}} +93 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/93.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(0, 0), (0, 1)] +[(0, 1), (0, 32)] \end{verbatim} product bonds broken:\begin{verbatim} -[(0, 1), (0, 32)] +[(1, 12), (1, 25)] \end{verbatim} @@ -8716,25 +8748,25 @@ Terminal.KEEP \end{verbatim} $$ -44 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/44.pdf}} +67 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/67.pdf}} + -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}} +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}} + -85 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/85.pdf}} +54 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/54.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(0, 0), (0, 1)] +[(1, 3), (1, 10)] \end{verbatim} product bonds broken:\begin{verbatim} -[(0, 1), (0, 32)] +[(0, 9), (0, 25)] \end{verbatim} @@ -8748,25 +8780,25 @@ Terminal.KEEP \end{verbatim} $$ -14 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/14.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[0.21]{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[0.05]{0.55} +54 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/54.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}} $$ reactant bonds broken:\begin{verbatim} -[(0, 1), (0, 32)] +[(1, 3), (1, 10)] \end{verbatim} product bonds broken:\begin{verbatim} -[(0, 2), (0, 17)] +[(1, 12), (1, 25)] \end{verbatim} @@ -8783,22 +8815,22 @@ 15 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/15.pdf}} + +66 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/66.pdf}} +\xrightarrow[0.14]{1.42} +42 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/42.pdf}} ++ 71 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/71.pdf}} -\xrightarrow[0.29]{2.93} -13 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/13.pdf}} -+ -73 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/73.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(1, 3), (1, 11)] +[(0, 1), (0, 32)] \end{verbatim} product bonds broken:\begin{verbatim} -[(1, 3), (1, 10)] +[(0, 12), (0, 13)] \end{verbatim} @@ -8812,25 +8844,25 @@ Terminal.KEEP \end{verbatim} $$ -13 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/13.pdf}} +71 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/71.pdf}} + -69 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/69.pdf}} -\xrightarrow[0.06]{0.61} -40 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/40.pdf}} +81 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/81.pdf}} +\xrightarrow[0.20]{2.02} +14 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/14.pdf}} + -73 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/73.pdf}} +48 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/48.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(0, 1), (0, 32)] +[(1, 0), (1, 11)] \end{verbatim} product bonds broken:\begin{verbatim} -[(0, 9), (0, 25)] +[(0, 1), (0, 32)] \end{verbatim} @@ -8844,25 +8876,25 @@ Terminal.KEEP \end{verbatim} $$ -14 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/14.pdf}} -+ -66 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/66.pdf}} -\xrightarrow[0.03]{0.35} -41 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/41.pdf}} -+ 71 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/71.pdf}} ++ +82 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/82.pdf}} +\xrightarrow[0.21]{2.07} +13 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/13.pdf}} ++ +50 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/50.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(0, 1), (0, 32)] +[(1, 0), (1, 11)] \end{verbatim} product bonds broken:\begin{verbatim} -[(0, 12), (0, 13)] +[(0, 1), (0, 32)] \end{verbatim} @@ -8876,25 +8908,25 @@ Terminal.KEEP \end{verbatim} $$ -15 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/15.pdf}} +72 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/72.pdf}} + -65 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/65.pdf}} -\xrightarrow[0.06]{0.57} -42 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/42.pdf}} +80 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/80.pdf}} +\xrightarrow[0.20]{2.04} +14 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/14.pdf}} + -71 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/71.pdf}} +48 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/48.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(0, 1), (0, 32)] +[(1, 0), (1, 11)] \end{verbatim} product bonds broken:\begin{verbatim} -[(0, 9), (0, 25)] +[(0, 1), (0, 32)] \end{verbatim} @@ -8908,25 +8940,25 @@ Terminal.KEEP \end{verbatim} $$ -15 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/15.pdf}} +72 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/72.pdf}} + -65 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/65.pdf}} -\xrightarrow[0.10]{1.02} -71 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/71.pdf}} +82 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/82.pdf}} +\xrightarrow[0.35]{3.46} +14 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/14.pdf}} + -93 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/93.pdf}} +50 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/50.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(0, 1), (0, 32)] +[(1, 0), (1, 11)] \end{verbatim} product bonds broken:\begin{verbatim} -[(1, 12), (1, 25)] +[(0, 1), (0, 32)] \end{verbatim} @@ -8940,25 +8972,25 @@ Terminal.KEEP \end{verbatim} $$ +72 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/72.pdf}} ++ +82 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/82.pdf}} +\xrightarrow[0.06]{0.56} 15 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/15.pdf}} + -66 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/66.pdf}} -\xrightarrow[0.14]{1.42} -42 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/42.pdf}} -+ -71 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/71.pdf}} +49 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/49.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(0, 1), (0, 32)] +[(1, 0), (1, 11)] \end{verbatim} product bonds broken:\begin{verbatim} -[(0, 12), (0, 13)] +[(0, 1), (0, 32)] \end{verbatim} @@ -8972,25 +9004,25 @@ Terminal.KEEP \end{verbatim} $$ -15 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/15.pdf}} +73 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/73.pdf}} + -67 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/67.pdf}} -\xrightarrow[0.04]{0.42} -42 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/42.pdf}} +80 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/80.pdf}} +\xrightarrow[0.17]{1.69} +13 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/13.pdf}} + -72 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/72.pdf}} +50 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/50.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(0, 1), (0, 32)] +[(1, 0), (1, 11)] \end{verbatim} product bonds broken:\begin{verbatim} -[(0, 9), (0, 25)] +[(0, 1), (0, 32)] \end{verbatim} @@ -9004,25 +9036,25 @@ Terminal.KEEP \end{verbatim} $$ -15 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/15.pdf}} +69 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/69.pdf}} + -67 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/67.pdf}} -\xrightarrow[0.09]{0.87} -72 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/72.pdf}} +71 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/71.pdf}} +\xrightarrow[0.19]{1.88} +13 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/13.pdf}} + -93 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/93.pdf}} +89 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/89.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(0, 1), (0, 32)] +[(0, 12), (0, 13)] \end{verbatim} product bonds broken:\begin{verbatim} -[(1, 12), (1, 25)] +[(0, 1), (0, 32)] \end{verbatim} @@ -9036,25 +9068,25 @@ Terminal.KEEP \end{verbatim} $$ -40 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/40.pdf}} +14 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/14.pdf}} + -73 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/73.pdf}} -\xrightarrow[0.06]{0.56} -13 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/13.pdf}} +46 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/46.pdf}} +\xrightarrow[0.05]{0.52} +71 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/71.pdf}} + -70 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/70.pdf}} +75 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/75.pdf}} $$ 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, 0), (1, 1)] \end{verbatim} @@ -9068,25 +9100,25 @@ Terminal.KEEP \end{verbatim} $$ -41 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/41.pdf}} +15 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/15.pdf}} + -71 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/71.pdf}} -\xrightarrow[0.05]{0.50} -14 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/14.pdf}} +67 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/67.pdf}} +\xrightarrow[0.04]{0.42} +42 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/42.pdf}} + -65 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/65.pdf}} +72 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/72.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(0, 9), (0, 25)] +[(0, 1), (0, 32)] \end{verbatim} product bonds broken:\begin{verbatim} -[(0, 1), (0, 32)] +[(0, 9), (0, 25)] \end{verbatim} @@ -9100,25 +9132,25 @@ Terminal.KEEP \end{verbatim} $$ -41 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/41.pdf}} +14 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/14.pdf}} + +46 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/46.pdf}} +\xrightarrow[0.04]{0.42} 72 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/72.pdf}} -\xrightarrow[0.07]{0.65} -14 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/14.pdf}} + -67 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/67.pdf}} +74 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/74.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(0, 9), (0, 25)] +[(0, 1), (0, 32)] \end{verbatim} product bonds broken:\begin{verbatim} -[(0, 1), (0, 32)] +[(1, 0), (1, 1)] \end{verbatim} @@ -9132,17 +9164,17 @@ Terminal.KEEP \end{verbatim} $$ -41 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/41.pdf}} +69 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/69.pdf}} + 72 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/72.pdf}} -\xrightarrow[0.13]{1.34} +\xrightarrow[0.33]{3.26} 14 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/14.pdf}} + -68 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/68.pdf}} +89 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/89.pdf}} $$ @@ -9164,25 +9196,25 @@ Terminal.KEEP \end{verbatim} $$ -42 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/42.pdf}} +15 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/15.pdf}} + +67 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/67.pdf}} +\xrightarrow[0.09]{0.87} 72 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/72.pdf}} -\xrightarrow[0.03]{0.26} -15 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/15.pdf}} + -68 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/68.pdf}} +93 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/93.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(0, 12), (0, 13)] +[(0, 1), (0, 32)] \end{verbatim} product bonds broken:\begin{verbatim} -[(0, 1), (0, 32)] +[(1, 12), (1, 25)] \end{verbatim} @@ -9199,14 +9231,14 @@ 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} +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}} + -73 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/73.pdf}} +76 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/76.pdf}} $$ @@ -9214,7 +9246,7 @@ [(0, 1), (0, 32)] \end{verbatim} product bonds broken:\begin{verbatim} -[(1, 3), (1, 10)] +[(1, 0), (1, 1)] \end{verbatim} @@ -9228,22 +9260,22 @@ Terminal.KEEP \end{verbatim} $$ -71 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/71.pdf}} +69 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/69.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}} +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}} + -48 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/48.pdf}} +88 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/88.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(1, 0), (1, 11)] +[(0, 12), (0, 13)] \end{verbatim} product bonds broken:\begin{verbatim} [(0, 1), (0, 32)] @@ -9260,25 +9292,25 @@ Terminal.KEEP \end{verbatim} $$ -71 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/71.pdf}} +15 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/15.pdf}} + -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}} +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}} + -50 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/50.pdf}} +72 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/72.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(1, 0), (1, 11)] +[(0, 1), (0, 32)] \end{verbatim} product bonds broken:\begin{verbatim} -[(0, 1), (0, 32)] +[(0, 0), (0, 13)] \end{verbatim} @@ -9292,22 +9324,22 @@ Terminal.KEEP \end{verbatim} $$ -72 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/72.pdf}} +70 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/70.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}} +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}} + -48 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/48.pdf}} +89 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/89.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(1, 0), (1, 11)] +[(0, 9), (0, 10)] \end{verbatim} product bonds broken:\begin{verbatim} [(0, 1), (0, 32)] @@ -9324,22 +9356,22 @@ Terminal.KEEP \end{verbatim} $$ +25 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/25.pdf}} ++ 72 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/72.pdf}} -+ -82 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/82.pdf}} -\xrightarrow[0.35]{3.46} +\xrightarrow[0.18]{1.79} 14 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/14.pdf}} + -50 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/50.pdf}} +32 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/32.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(1, 0), (1, 11)] +[(0, 0), (0, 13)] \end{verbatim} product bonds broken:\begin{verbatim} [(0, 1), (0, 32)] @@ -9356,54 +9388,22 @@ Terminal.KEEP \end{verbatim} $$ +70 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/70.pdf}} ++ 72 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/72.pdf}} +\xrightarrow[0.21]{2.10} +14 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/14.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}} -$$ - - -reactant bonds broken:\begin{verbatim} -[(1, 0), (1, 11)] -\end{verbatim} -product bonds broken:\begin{verbatim} -[(0, 1), (0, 32)] -\end{verbatim} - - - - -\vspace{1cm} -\begin{verbatim} -more than one reactant -fragment matching found -free_energy dG is above threshold=0.0 -Terminal.KEEP -\end{verbatim} -$$ -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} -13 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/13.pdf}} -+ -50 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/50.pdf}} +89 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/89.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(1, 0), (1, 11)] +[(0, 9), (0, 10)] \end{verbatim} product bonds broken:\begin{verbatim} [(0, 1), (0, 32)] @@ -9420,25 +9420,25 @@ Terminal.KEEP \end{verbatim} $$ -14 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/14.pdf}} +26 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/26.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}} +\xrightarrow[0.26]{2.58} +14 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/14.pdf}} + -75 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/75.pdf}} +32 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/32.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(0, 1), (0, 32)] +[(0, 0), (0, 13)] \end{verbatim} product bonds broken:\begin{verbatim} -[(1, 0), (1, 1)] +[(0, 1), (0, 32)] \end{verbatim} @@ -9452,25 +9452,25 @@ Terminal.KEEP \end{verbatim} $$ -14 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/14.pdf}} +27 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/27.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[0.00]{0.05} +14 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/14.pdf}} + -74 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/74.pdf}} +34 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/34.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(0, 1), (0, 32)] +[(0, 0), (0, 13)] \end{verbatim} product bonds broken:\begin{verbatim} -[(1, 0), (1, 1)] +[(0, 1), (0, 32)] \end{verbatim} @@ -9484,25 +9484,25 @@ Terminal.KEEP \end{verbatim} $$ -15 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/15.pdf}} +40 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/40.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}} +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}} + -76 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/76.pdf}} +70 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/70.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(0, 1), (0, 32)] +[(0, 12), (0, 13)] \end{verbatim} product bonds broken:\begin{verbatim} -[(1, 0), (1, 1)] +[(0, 1), (0, 32)] \end{verbatim} @@ -9516,17 +9516,17 @@ Terminal.KEEP \end{verbatim} $$ -15 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/15.pdf}} +14 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/14.pdf}} + -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}} +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}} + -72 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/72.pdf}} +71 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/71.pdf}} $$ @@ -9534,7 +9534,7 @@ [(0, 1), (0, 32)] \end{verbatim} product bonds broken:\begin{verbatim} -[(0, 0), (0, 13)] +[(0, 2), (0, 3)] \end{verbatim} @@ -9548,22 +9548,22 @@ Terminal.KEEP \end{verbatim} $$ -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} ++ +79 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/79.pdf}} +\xrightarrow[0.08]{0.76} 14 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/14.pdf}} + -32 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/32.pdf}} +29 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/29.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(0, 0), (0, 13)] +[(1, 10), (1, 34)] \end{verbatim} product bonds broken:\begin{verbatim} [(0, 1), (0, 32)] @@ -9580,54 +9580,22 @@ Terminal.KEEP \end{verbatim} $$ -26 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/26.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[0.26]{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}} -$$ - - -reactant bonds broken:\begin{verbatim} -[(0, 0), (0, 13)] -\end{verbatim} -product bonds broken:\begin{verbatim} -[(0, 1), (0, 32)] -\end{verbatim} - - - - -\vspace{1cm} -\begin{verbatim} -more than one reactant -fragment matching found -free_energy dG is above threshold=0.0 -Terminal.KEEP -\end{verbatim} -$$ -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} +\xrightarrow[0.05]{0.50} 14 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/14.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}} $$ reactant bonds broken:\begin{verbatim} -[(0, 0), (0, 13)] +[(0, 9), (0, 25)] \end{verbatim} product bonds broken:\begin{verbatim} [(0, 1), (0, 32)] @@ -9649,12 +9617,12 @@ + 79 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/79.pdf}} -\xrightarrow[0.08]{0.76} -14 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/14.pdf}} +\xrightarrow[0.15]{1.52} +15 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/15.pdf}} + -29 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/29.pdf}} +28 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/28.pdf}} $$ @@ -9676,22 +9644,22 @@ Terminal.KEEP \end{verbatim} $$ -72 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/72.pdf}} -+ -79 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/79.pdf}} -\xrightarrow[0.15]{1.52} -15 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/15.pdf}} -+ 28 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/28.pdf}} ++ +71 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/71.pdf}} +\xrightarrow[0.12]{1.23} +13 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/13.pdf}} ++ +18 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/18.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(1, 10), (1, 34)] +[(0, 2), (0, 3)] \end{verbatim} product bonds broken:\begin{verbatim} [(0, 1), (0, 32)] @@ -9740,25 +9708,25 @@ Terminal.KEEP \end{verbatim} $$ -14 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/14.pdf}} -+ -19 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/19.pdf}} -\xrightarrow[0.45]{4.47} -30 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/30.pdf}} +28 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/28.pdf}} + 71 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/71.pdf}} +\xrightarrow[0.13]{1.32} +14 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/14.pdf}} ++ +17 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/17.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(0, 1), (0, 32)] +[(0, 2), (0, 3)] \end{verbatim} product bonds broken:\begin{verbatim} -[(0, 2), (0, 3)] +[(0, 1), (0, 32)] \end{verbatim} @@ -9772,22 +9740,22 @@ Terminal.KEEP \end{verbatim} $$ -28 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/28.pdf}} +41 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/41.pdf}} + -71 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/71.pdf}} -\xrightarrow[0.12]{1.23} -13 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/13.pdf}} +72 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/72.pdf}} +\xrightarrow[0.07]{0.65} +14 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/14.pdf}} + -18 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/18.pdf}} +67 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/67.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(0, 2), (0, 3)] +[(0, 9), (0, 25)] \end{verbatim} product bonds broken:\begin{verbatim} [(0, 1), (0, 32)] @@ -9807,14 +9775,14 @@ 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} +72 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/72.pdf}} +\xrightarrow[0.26]{2.62} 14 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/14.pdf}} + -17 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/17.pdf}} +18 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/18.pdf}} $$ @@ -9836,22 +9804,22 @@ Terminal.KEEP \end{verbatim} $$ -28 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/28.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[0.26]{2.62} +\xrightarrow[0.13]{1.34} 14 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/14.pdf}} + -18 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/18.pdf}} +68 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/68.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(0, 2), (0, 3)] +[(0, 12), (0, 13)] \end{verbatim} product bonds broken:\begin{verbatim} [(0, 1), (0, 32)] @@ -9892,6 +9860,38 @@ +\vspace{1cm} +\begin{verbatim} +more than one reactant +fragment matching found +free_energy dG is above threshold=0.0 +Terminal.KEEP +\end{verbatim} +$$ +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}} +$$ + + +reactant bonds broken:\begin{verbatim} +[(1, 3), (1, 10)] +\end{verbatim} +product bonds broken:\begin{verbatim} +[(1, 0), (1, 1)] +\end{verbatim} + + + + \vspace{1cm} \begin{verbatim} more than one reactant @@ -9964,25 +9964,25 @@ Terminal.KEEP \end{verbatim} $$ -47 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/47.pdf}} +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[0.02]{0.19} -54 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/54.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}} + -76 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/76.pdf}} +68 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/68.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(1, 3), (1, 10)] +[(0, 12), (0, 13)] \end{verbatim} product bonds broken:\begin{verbatim} -[(1, 0), (1, 1)] +[(0, 1), (0, 32)] \end{verbatim} @@ -10124,25 +10124,25 @@ Terminal.KEEP \end{verbatim} $$ -19 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/19.pdf}} +16 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/16.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}} +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}} + -94 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/94.pdf}} +45 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/45.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(1, 1), (1, 6)] +[(0, 0), (0, 23)] \end{verbatim} product bonds broken:\begin{verbatim} -[(0, 2), (0, 3)] +[(1, 0), (1, 1)] \end{verbatim} @@ -10156,25 +10156,25 @@ Terminal.KEEP \end{verbatim} $$ -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}} +19 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/19.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}} $$ reactant bonds broken:\begin{verbatim} -[(0, 2), (0, 3)] +[(1, 1), (1, 6)] \end{verbatim} product bonds broken:\begin{verbatim} -[(1, 1), (1, 6)] +[(0, 2), (0, 3)] \end{verbatim} @@ -10188,25 +10188,25 @@ Terminal.KEEP \end{verbatim} $$ +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}} $$ reactant bonds broken:\begin{verbatim} -[(0, 2), (0, 3)] +[(1, 2), (1, 3)] \end{verbatim} product bonds broken:\begin{verbatim} -[(1, 1), (1, 6)] +[(0, 0), (0, 23)] \end{verbatim} @@ -10220,17 +10220,17 @@ Terminal.KEEP \end{verbatim} $$ -29 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/29.pdf}} +28 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/28.pdf}} + 95 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/95.pdf}} -\xrightarrow[0.35]{3.50} +\xrightarrow[0.14]{1.40} 18 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/18.pdf}} + -34 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/34.pdf}} +33 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/33.pdf}} $$ @@ -10252,49 +10252,17 @@ Terminal.KEEP \end{verbatim} $$ -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[0.27]{2.71} +\xrightarrow[0.36]{3.64} 16 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/16.pdf}} + -17 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/17.pdf}} +18 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/18.pdf}} $$ @@ -10316,25 +10284,25 @@ Terminal.KEEP \end{verbatim} $$ -4 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/4.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}} +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}} $$ reactant bonds broken:\begin{verbatim} -[(1, 2), (1, 3)] +[(0, 2), (0, 3)] \end{verbatim} product bonds broken:\begin{verbatim} -[(0, 0), (0, 23)] +[(1, 1), (1, 6)] \end{verbatim} @@ -10412,25 +10380,25 @@ Terminal.KEEP \end{verbatim} $$ -3 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/3.pdf}} +29 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/29.pdf}} + -15 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/15.pdf}} -\xrightarrow[0.06]{0.63} -16 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/16.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}} + -71 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/71.pdf}} +34 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/34.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(1, 1), (1, 32)] +[(0, 2), (0, 3)] \end{verbatim} product bonds broken:\begin{verbatim} -[(0, 0), (0, 23)] +[(1, 1), (1, 6)] \end{verbatim} @@ -10444,8 +10412,40 @@ Terminal.KEEP \end{verbatim} $$ -4 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/4.pdf}} +3 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/3.pdf}} ++ +15 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/15.pdf}} +\xrightarrow[0.06]{0.63} +16 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/16.pdf}} ++ +71 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/71.pdf}} +$$ + + +reactant bonds broken:\begin{verbatim} +[(1, 1), (1, 32)] +\end{verbatim} +product bonds broken:\begin{verbatim} +[(0, 0), (0, 23)] +\end{verbatim} + + + + +\vspace{1cm} +\begin{verbatim} +more than one reactant +fragment matching found +free_energy dG is above threshold=0.0 +Terminal.KEEP +\end{verbatim} +$$ +4 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/4.pdf}} + 15 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/15.pdf}} @@ -10572,25 +10572,25 @@ Terminal.KEEP \end{verbatim} $$ -4 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/4.pdf}} +54 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/54.pdf}} + -42 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/42.pdf}} -\xrightarrow[0.05]{0.52} -16 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/16.pdf}} +92 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/92.pdf}} +\xrightarrow[0.00]{0.02} +2 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/2.pdf}} + -68 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/68.pdf}} +73 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/73.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(1, 12), (1, 13)] +[(1, 0), (1, 1)] \end{verbatim} product bonds broken:\begin{verbatim} -[(0, 0), (0, 23)] +[(1, 3), (1, 10)] \end{verbatim} @@ -10604,25 +10604,25 @@ Terminal.KEEP \end{verbatim} $$ -16 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/16.pdf}} +46 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/46.pdf}} + -65 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/65.pdf}} -\xrightarrow[0.04]{0.39} -3 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/3.pdf}} +91 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/91.pdf}} +\xrightarrow[0.14]{1.42} +1 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/1.pdf}} + -93 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/93.pdf}} +75 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/75.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(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} @@ -10636,25 +10636,25 @@ Terminal.KEEP \end{verbatim} $$ -16 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/16.pdf}} +1 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/1.pdf}} + -66 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/66.pdf}} -\xrightarrow[0.08]{0.79} -3 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/3.pdf}} +69 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/69.pdf}} +\xrightarrow[0.06]{0.57} +87 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/87.pdf}} + -42 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/42.pdf}} +92 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/92.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(0, 0), (0, 23)] +[(1, 12), (1, 13)] \end{verbatim} product bonds broken:\begin{verbatim} -[(1, 12), (1, 13)] +[(1, 0), (1, 1)] \end{verbatim} @@ -10668,25 +10668,25 @@ Terminal.KEEP \end{verbatim} $$ -16 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/16.pdf}} -+ -67 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/67.pdf}} -\xrightarrow[0.02]{0.16} 4 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/4.pdf}} + 42 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/42.pdf}} +\xrightarrow[0.05]{0.52} +16 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/16.pdf}} ++ +68 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/68.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(0, 0), (0, 23)] +[(1, 12), (1, 13)] \end{verbatim} product bonds broken:\begin{verbatim} -[(1, 9), (1, 25)] +[(0, 0), (0, 23)] \end{verbatim} @@ -10700,25 +10700,25 @@ Terminal.KEEP \end{verbatim} $$ -16 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/16.pdf}} +46 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/46.pdf}} + -67 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/67.pdf}} -\xrightarrow[0.06]{0.61} -4 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/4.pdf}} +92 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/92.pdf}} +\xrightarrow[0.17]{1.70} +1 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/1.pdf}} + -93 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/93.pdf}} +76 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/76.pdf}} $$ 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} @@ -10732,17 +10732,17 @@ Terminal.KEEP \end{verbatim} $$ -46 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/46.pdf}} +47 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/47.pdf}} + -91 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/91.pdf}} -\xrightarrow[0.14]{1.42} -1 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/1.pdf}} +92 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/92.pdf}} +\xrightarrow[0.02]{0.22} +2 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/2.pdf}} + -75 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/75.pdf}} +76 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/76.pdf}} $$ @@ -10764,22 +10764,22 @@ Terminal.KEEP \end{verbatim} $$ -46 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/46.pdf}} -+ -92 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/92.pdf}} -\xrightarrow[0.17]{1.70} 1 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/1.pdf}} + -76 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/76.pdf}} +69 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/69.pdf}} +\xrightarrow[0.28]{2.80} +89 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/89.pdf}} ++ +90 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/90.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(1, 0), (1, 1)] +[(1, 12), (1, 13)] \end{verbatim} product bonds broken:\begin{verbatim} [(1, 0), (1, 1)] @@ -10796,22 +10796,22 @@ Terminal.KEEP \end{verbatim} $$ -47 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/47.pdf}} +1 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/1.pdf}} + -92 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/92.pdf}} -\xrightarrow[0.02]{0.22} -2 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/2.pdf}} +70 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/70.pdf}} +\xrightarrow[0.16]{1.63} +89 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/89.pdf}} + -76 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/76.pdf}} +90 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/90.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(1, 0), (1, 1)] +[(1, 9), (1, 10)] \end{verbatim} product bonds broken:\begin{verbatim} [(1, 0), (1, 1)] @@ -10820,6 +10820,38 @@ +\vspace{1cm} +\begin{verbatim} +more than one reactant +fragment matching found +free_energy dG is above threshold=0.0 +Terminal.KEEP +\end{verbatim} +$$ +16 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/16.pdf}} ++ +65 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/65.pdf}} +\xrightarrow[0.04]{0.39} +3 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/3.pdf}} ++ +93 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/93.pdf}} +$$ + + +reactant bonds broken:\begin{verbatim} +[(0, 0), (0, 23)] +\end{verbatim} +product bonds broken:\begin{verbatim} +[(1, 12), (1, 25)] +\end{verbatim} + + + + \vspace{1cm} \begin{verbatim} more than one reactant @@ -10860,17 +10892,17 @@ Terminal.KEEP \end{verbatim} $$ -54 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/54.pdf}} +83 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/83.pdf}} + -92 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/92.pdf}} -\xrightarrow[0.00]{0.02} -2 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/2.pdf}} +91 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/91.pdf}} +\xrightarrow[0.30]{3.02} +1 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/1.pdf}} + -73 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/73.pdf}} +61 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/61.pdf}} $$ @@ -10878,7 +10910,7 @@ [(1, 0), (1, 1)] \end{verbatim} product bonds broken:\begin{verbatim} -[(1, 3), (1, 10)] +[(1, 2), (1, 17)] \end{verbatim} @@ -10892,110 +10924,14 @@ Terminal.KEEP \end{verbatim} $$ -1 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/1.pdf}} +2 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/2.pdf}} + 69 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/69.pdf}} \xrightarrow[0.06]{0.57} -87 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/87.pdf}} -+ -92 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/92.pdf}} -$$ - - -reactant bonds broken:\begin{verbatim} -[(1, 12), (1, 13)] -\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} -$$ -1 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/1.pdf}} -+ -69 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/69.pdf}} -\xrightarrow[0.28]{2.80} -89 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/89.pdf}} -+ -90 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/90.pdf}} -$$ - - -reactant bonds broken:\begin{verbatim} -[(1, 12), (1, 13)] -\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} -$$ -1 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/1.pdf}} -+ -70 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/70.pdf}} -\xrightarrow[0.16]{1.63} -89 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/89.pdf}} -+ -90 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/90.pdf}} -$$ - - -reactant bonds broken:\begin{verbatim} -[(1, 9), (1, 10)] -\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} -$$ -2 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/2.pdf}} -+ -69 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/69.pdf}} -\xrightarrow[0.06]{0.57} -88 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/88.pdf}} +88 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/88.pdf}} + 92 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/92.pdf}} @@ -11116,377 +11052,25 @@ Terminal.KEEP \end{verbatim} $$ -88 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/88.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}} -+ -70 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/70.pdf}} -$$ - - -reactant bonds broken:\begin{verbatim} -[(1, 0), (1, 1)] -\end{verbatim} -product bonds broken:\begin{verbatim} -[(1, 9), (1, 10)] -\end{verbatim} - - - - -\vspace{1cm} -\begin{verbatim} -more than one reactant -fragment matching found -free_energy dG is above threshold=0.0 -Terminal.KEEP -\end{verbatim} -$$ -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}} -$$ - - -reactant bonds broken:\begin{verbatim} -[(1, 0), (1, 1)] -\end{verbatim} -product bonds broken:\begin{verbatim} -[(1, 2), (1, 17)] -\end{verbatim} - - - - -\vspace{1cm} -\begin{verbatim} -more than one reactant -fragment matching found -free_energy dG is above threshold=0.0 -Terminal.KEEP -\end{verbatim} -$$ -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[0.11]{1.07} -65 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/65.pdf}} -+ -95 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/95.pdf}} -$$ - - -reactant bonds broken:\begin{verbatim} -[(0, 1), (0, 6)] -\end{verbatim} -product bonds broken:\begin{verbatim} -[(0, 12), (0, 13)] -\end{verbatim} - - - - -\vspace{1cm} -\begin{verbatim} -more than one reactant -fragment matching found -free_energy dG is above threshold=0.0 -Terminal.KEEP -\end{verbatim} -$$ -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[0.02]{0.22} -66 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/66.pdf}} -+ -95 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/95.pdf}} -$$ - - -reactant bonds broken:\begin{verbatim} -[(0, 1), (0, 6)] -\end{verbatim} -product bonds broken:\begin{verbatim} -[(0, 9), (0, 10)] -\end{verbatim} - - - - -\vspace{1cm} -\begin{verbatim} -more than one reactant -fragment matching found -free_energy dG is above threshold=0.0 -Terminal.KEEP -\end{verbatim} -$$ -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}} -$$ - - -reactant bonds broken:\begin{verbatim} -[(0, 1), (0, 6)] -\end{verbatim} -product bonds broken:\begin{verbatim} -[(0, 12), (0, 13)] -\end{verbatim} - - - - -\vspace{1cm} -\begin{verbatim} -more than one reactant -fragment matching found -free_energy dG is above threshold=0.0 -Terminal.KEEP -\end{verbatim} -$$ -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[0.23]{2.30} -68 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/68.pdf}} -+ -94 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/94.pdf}} -$$ - - -reactant bonds broken:\begin{verbatim} -[(0, 1), (0, 6)] -\end{verbatim} -product bonds broken:\begin{verbatim} -[(0, 9), (0, 10)] -\end{verbatim} - - - - -\vspace{1cm} -\begin{verbatim} -more than one reactant -fragment matching found -free_energy dG is above threshold=0.0 -Terminal.KEEP -\end{verbatim} -$$ -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[0.08]{0.77} -70 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/70.pdf}} -+ -95 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/95.pdf}} -$$ - - -reactant bonds broken:\begin{verbatim} -[(0, 1), (0, 6)] -\end{verbatim} -product bonds broken:\begin{verbatim} -[(0, 9), (0, 10)] -\end{verbatim} - - - - -\vspace{1cm} -\begin{verbatim} -more than one reactant -fragment matching found -free_energy dG is above threshold=0.0 -Terminal.KEEP -\end{verbatim} -$$ -65 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/65.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}} +16 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/16.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}} +\xrightarrow[0.08]{0.79} +3 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/3.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}} -$$ - - -reactant bonds broken:\begin{verbatim} -[(0, 12), (0, 13)] -\end{verbatim} -product bonds broken:\begin{verbatim} -[(0, 1), (0, 6)] -\end{verbatim} - - - - -\vspace{1cm} -\begin{verbatim} -more than one reactant -fragment matching found -free_energy dG is above threshold=0.0 -Terminal.KEEP -\end{verbatim} -$$ -69 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/69.pdf}} -+ -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}} -+ -89 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/89.pdf}} -$$ - - -reactant bonds broken:\begin{verbatim} -[(0, 12), (0, 13)] -\end{verbatim} -product bonds broken:\begin{verbatim} -[(0, 1), (0, 6)] -\end{verbatim} - - - - -\vspace{1cm} -\begin{verbatim} -more than one reactant -fragment matching found -free_energy dG is above threshold=0.0 -Terminal.KEEP -\end{verbatim} -$$ -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}} +42 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/42.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(0, 12), (0, 13)] +[(0, 0), (0, 23)] \end{verbatim} product bonds broken:\begin{verbatim} -[(0, 1), (0, 6)] +[(1, 12), (1, 13)] \end{verbatim} @@ -11500,25 +11084,25 @@ Terminal.KEEP \end{verbatim} $$ -70 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/70.pdf}} +88 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/88.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}} +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}} + -89 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/89.pdf}} +70 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/70.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(0, 9), (0, 10)] +[(1, 0), (1, 1)] \end{verbatim} product bonds broken:\begin{verbatim} -[(0, 1), (0, 6)] +[(1, 9), (1, 10)] \end{verbatim} @@ -11588,6 +11172,38 @@ +\vspace{1cm} +\begin{verbatim} +more than one reactant +fragment matching found +free_energy dG is above threshold=0.0 +Terminal.KEEP +\end{verbatim} +$$ +33 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/33.pdf}} ++ +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}} ++ +95 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/95.pdf}} +$$ + + +reactant bonds broken:\begin{verbatim} +[(0, 1), (0, 6)] +\end{verbatim} +product bonds broken:\begin{verbatim} +[(0, 12), (0, 13)] +\end{verbatim} + + + + \vspace{1cm} \begin{verbatim} more than one reactant @@ -11652,6 +11268,38 @@ +\vspace{1cm} +\begin{verbatim} +more than one reactant +fragment matching found +free_energy dG is above threshold=0.0 +Terminal.KEEP +\end{verbatim} +$$ +33 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/33.pdf}} ++ +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}} ++ +95 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/95.pdf}} +$$ + + +reactant bonds broken:\begin{verbatim} +[(0, 1), (0, 6)] +\end{verbatim} +product bonds broken:\begin{verbatim} +[(0, 9), (0, 10)] +\end{verbatim} + + + + \vspace{1cm} \begin{verbatim} more than one reactant @@ -11692,25 +11340,25 @@ Terminal.KEEP \end{verbatim} $$ -2 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/2.pdf}} +16 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/16.pdf}} ++ +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[0.06]{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}} $$ reactant bonds broken:\begin{verbatim} -[(1, 12), (1, 13)] +[(0, 0), (0, 23)] \end{verbatim} product bonds broken:\begin{verbatim} -[(1, 0), (1, 1)] +[(1, 9), (1, 25)] \end{verbatim} @@ -11724,25 +11372,25 @@ Terminal.KEEP \end{verbatim} $$ -65 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/65.pdf}} +33 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/33.pdf}} + -91 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/91.pdf}} -\xrightarrow[0.04]{0.40} -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[0.16]{1.62} +67 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/67.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}} $$ reactant bonds broken:\begin{verbatim} -[(1, 0), (1, 1)] +[(0, 1), (0, 6)] \end{verbatim} product bonds broken:\begin{verbatim} -[(1, 9), (1, 25)] +[(0, 12), (0, 13)] \end{verbatim} @@ -11756,25 +11404,25 @@ Terminal.KEEP \end{verbatim} $$ -66 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/66.pdf}} +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[0.12]{1.25} -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}} + -41 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/41.pdf}} +92 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/92.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(1, 0), (1, 1)] +[(1, 12), (1, 13)] \end{verbatim} product bonds broken:\begin{verbatim} -[(1, 12), (1, 13)] +[(1, 0), (1, 1)] \end{verbatim} @@ -11788,25 +11436,25 @@ Terminal.KEEP \end{verbatim} $$ +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[0.06]{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[0.01]{0.13} -2 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/2.pdf}} -+ -42 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/42.pdf}} +93 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/93.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(1, 0), (1, 1)] +[(0, 0), (0, 23)] \end{verbatim} product bonds broken:\begin{verbatim} -[(1, 9), (1, 25)] +[(1, 12), (1, 25)] \end{verbatim} @@ -11820,25 +11468,25 @@ Terminal.KEEP \end{verbatim} $$ -67 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/67.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[0.06]{0.57} -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}} + -93 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/93.pdf}} +94 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/94.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(1, 0), (1, 1)] +[(0, 1), (0, 6)] \end{verbatim} product bonds broken:\begin{verbatim} -[(1, 12), (1, 25)] +[(0, 9), (0, 10)] \end{verbatim} @@ -11931,10 +11579,74 @@ reactant bonds broken:\begin{verbatim} -[(1, 1), (1, 6)] +[(1, 1), (1, 6)] +\end{verbatim} +product bonds broken:\begin{verbatim} +[(0, 0), (0, 1)] +\end{verbatim} + + + + +\vspace{1cm} +\begin{verbatim} +more than one reactant +fragment matching found +free_energy dG is above threshold=0.0 +Terminal.KEEP +\end{verbatim} +$$ +65 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/65.pdf}} ++ +91 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/91.pdf}} +\xrightarrow[0.04]{0.40} +1 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/1.pdf}} ++ +41 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/41.pdf}} +$$ + + +reactant bonds broken:\begin{verbatim} +[(1, 0), (1, 1)] +\end{verbatim} +product bonds broken:\begin{verbatim} +[(1, 9), (1, 25)] +\end{verbatim} + + + + +\vspace{1cm} +\begin{verbatim} +more than one reactant +fragment matching found +free_energy dG is above threshold=0.0 +Terminal.KEEP +\end{verbatim} +$$ +66 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/66.pdf}} ++ +91 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/91.pdf}} +\xrightarrow[0.12]{1.25} +1 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/1.pdf}} ++ +41 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/41.pdf}} +$$ + + +reactant bonds broken:\begin{verbatim} +[(1, 0), (1, 1)] \end{verbatim} product bonds broken:\begin{verbatim} -[(0, 0), (0, 1)] +[(1, 12), (1, 13)] \end{verbatim} @@ -12012,25 +11724,57 @@ Terminal.KEEP \end{verbatim} $$ +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[0.01]{0.13} 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}} +42 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/42.pdf}} +$$ + + +reactant bonds broken:\begin{verbatim} +[(1, 0), (1, 1)] +\end{verbatim} +product bonds broken:\begin{verbatim} +[(1, 9), (1, 25)] +\end{verbatim} + + + + +\vspace{1cm} +\begin{verbatim} +more than one reactant +fragment matching found +free_energy dG is above threshold=0.0 +Terminal.KEEP +\end{verbatim} +$$ +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}} ++ +93 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/93.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(1, 2), (1, 3)] +[(1, 0), (1, 1)] \end{verbatim} product bonds broken:\begin{verbatim} -[(1, 0), (1, 1)] +[(1, 12), (1, 25)] \end{verbatim} @@ -12044,25 +11788,25 @@ Terminal.KEEP \end{verbatim} $$ -4 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/4.pdf}} +2 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/2.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}} +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}} + -88 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/88.pdf}} +92 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/92.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(1, 12), (1, 13)] +[(1, 2), (1, 3)] \end{verbatim} product bonds broken:\begin{verbatim} -[(0, 0), (0, 23)] +[(1, 0), (1, 1)] \end{verbatim} @@ -12076,25 +11820,25 @@ Terminal.KEEP \end{verbatim} $$ -16 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/16.pdf}} +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[0.06]{0.63} -4 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/4.pdf}} -+ +\xrightarrow[0.08]{0.77} 70 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/70.pdf}} ++ +95 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/95.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(0, 0), (0, 23)] +[(0, 1), (0, 6)] \end{verbatim} product bonds broken:\begin{verbatim} -[(1, 9), (1, 10)] +[(0, 9), (0, 10)] \end{verbatim} @@ -12108,25 +11852,25 @@ Terminal.KEEP \end{verbatim} $$ -18 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/18.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[0.21]{2.12} -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}} + -30 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/30.pdf}} +88 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/88.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(1, 0), (1, 1)] +[(1, 12), (1, 13)] \end{verbatim} product bonds broken:\begin{verbatim} -[(1, 2), (1, 3)] +[(0, 0), (0, 23)] \end{verbatim} @@ -12140,25 +11884,25 @@ Terminal.KEEP \end{verbatim} $$ -19 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/19.pdf}} +65 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/65.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}} +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}} + -30 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/30.pdf}} +89 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/89.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(1, 0), (1, 1)] +[(0, 12), (0, 13)] \end{verbatim} product bonds broken:\begin{verbatim} -[(1, 2), (1, 3)] +[(0, 1), (0, 6)] \end{verbatim} @@ -12292,6 +12036,70 @@ +\vspace{1cm} +\begin{verbatim} +more than one reactant +fragment matching found +free_energy dG is above threshold=0.0 +Terminal.KEEP +\end{verbatim} +$$ +66 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/66.pdf}} ++ +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}} +$$ + + +reactant bonds broken:\begin{verbatim} +[(0, 9), (0, 10)] +\end{verbatim} +product bonds broken:\begin{verbatim} +[(0, 1), (0, 6)] +\end{verbatim} + + + + +\vspace{1cm} +\begin{verbatim} +more than one reactant +fragment matching found +free_energy dG is above threshold=0.0 +Terminal.KEEP +\end{verbatim} +$$ +16 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/16.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}} ++ +70 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/70.pdf}} +$$ + + +reactant bonds broken:\begin{verbatim} +[(0, 0), (0, 23)] +\end{verbatim} +product bonds broken:\begin{verbatim} +[(1, 9), (1, 10)] +\end{verbatim} + + + + \vspace{1cm} \begin{verbatim} more than one reactant @@ -12309,16 +12117,80 @@ 4 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/4.pdf}} + -92 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/92.pdf}} +92 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/92.pdf}} +$$ + + +reactant bonds broken:\begin{verbatim} +[(1, 0), (1, 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} +$$ +18 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/18.pdf}} ++ +92 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/92.pdf}} +\xrightarrow[0.21]{2.12} +1 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/1.pdf}} ++ +30 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/30.pdf}} +$$ + + +reactant bonds broken:\begin{verbatim} +[(1, 0), (1, 1)] +\end{verbatim} +product bonds broken:\begin{verbatim} +[(1, 2), (1, 3)] +\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} +$$ +19 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/19.pdf}} ++ +91 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/91.pdf}} +\xrightarrow[0.54]{5.37} +1 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/1.pdf}} ++ +30 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/30.pdf}} $$ 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, 2), (1, 3)] \end{verbatim} @@ -12420,6 +12292,38 @@ +\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 @@ -12460,17 +12364,17 @@ Terminal.KEEP \end{verbatim} $$ -41 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/41.pdf}} +69 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/69.pdf}} + -83 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/83.pdf}} -\xrightarrow[0.18]{1.78} -61 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/61.pdf}} +95 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/95.pdf}} +\xrightarrow[0.20]{2.04} +33 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/33.pdf}} + -66 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/66.pdf}} +89 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/89.pdf}} $$ @@ -12478,7 +12382,7 @@ [(0, 12), (0, 13)] \end{verbatim} product bonds broken:\begin{verbatim} -[(0, 2), (0, 17)] +[(0, 1), (0, 6)] \end{verbatim} @@ -12516,6 +12420,38 @@ +\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 @@ -12556,25 +12492,25 @@ Terminal.KEEP \end{verbatim} $$ -28 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/28.pdf}} +41 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/41.pdf}} + 83 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/83.pdf}} -\xrightarrow[0.34]{3.44} -17 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/17.pdf}} -+ +\xrightarrow[0.18]{1.78} 61 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/61.pdf}} ++ +66 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/66.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(0, 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 +12524,25 @@ Terminal.KEEP \end{verbatim} $$ -29 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/29.pdf}} +70 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/70.pdf}} + -83 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/83.pdf}} -\xrightarrow[0.21]{2.11} -18 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/18.pdf}} +95 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/95.pdf}} +\xrightarrow[0.09]{0.88} +33 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/33.pdf}} + -61 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/61.pdf}} +89 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/89.pdf}} $$ 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, 1), (0, 6)] \end{verbatim} @@ -12620,25 +12556,25 @@ Terminal.KEEP \end{verbatim} $$ -67 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/67.pdf}} +28 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/28.pdf}} + 83 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/83.pdf}} -\xrightarrow[0.21]{2.13} +\xrightarrow[0.34]{3.44} +17 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/17.pdf}} ++ 61 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/61.pdf}} -+ -87 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/87.pdf}} $$ 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} @@ -12652,25 +12588,25 @@ Terminal.KEEP \end{verbatim} $$ -68 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/68.pdf}} +29 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/29.pdf}} + 83 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/83.pdf}} -\xrightarrow[0.14]{1.44} +\xrightarrow[0.21]{2.11} +18 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/18.pdf}} ++ 61 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/61.pdf}} -+ -87 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/87.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(0, 9), (0, 10)] +[(0, 2), (0, 3)] \end{verbatim} product bonds broken:\begin{verbatim} -[(0, 2), (0, 17)] +[(1, 2), (1, 17)] \end{verbatim} @@ -12830,127 +12766,91 @@ Terminal.KEEP \end{verbatim} $$ -4 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/4.pdf}} +67 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/67.pdf}} + -82 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/82.pdf}} -\xrightarrow[0.08]{0.83} -16 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/16.pdf}} +83 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/83.pdf}} +\xrightarrow[0.21]{2.13} +61 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/61.pdf}} + -49 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/49.pdf}} +87 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/87.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(1, 0), (1, 11)] +[(0, 12), (0, 13)] \end{verbatim} product bonds broken:\begin{verbatim} -[(0, 0), (0, 23)] -\end{verbatim} - - - - -\vspace{1cm} -\begin{verbatim} -fragment matching found -free_energy dG is above threshold=0.0 -Terminal.KEEP +[(0, 2), (0, 17)] \end{verbatim} -$$ -71 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/71.pdf}} -\xrightarrow[0.00]{1.56} -20 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/20.pdf}} -+ -56 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/56.pdf}} -$$ -reactant bonds broken:\begin{verbatim} -[(0, 2), (0, 5)] -\end{verbatim} -product bonds broken: - \vspace{1cm} \begin{verbatim} +more than one reactant fragment matching found free_energy dG is above threshold=0.0 Terminal.KEEP \end{verbatim} $$ -71 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/71.pdf}} -\xrightarrow[0.00]{1.58} -21 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/21.pdf}} +4 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/4.pdf}} + -55 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/55.pdf}} -$$ - - -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} -$$ -71 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/71.pdf}} -\xrightarrow[0.00]{2.09} -32 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/32.pdf}} +82 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/82.pdf}} +\xrightarrow[0.08]{0.83} +16 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/16.pdf}} + -47 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/47.pdf}} +49 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/49.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(0, 0), (0, 2)] +[(1, 0), (1, 11)] +\end{verbatim} +product bonds broken:\begin{verbatim} +[(0, 0), (0, 23)] \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} $$ -73 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/73.pdf}} -\xrightarrow[0.00]{2.85} -21 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/21.pdf}} +68 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/68.pdf}} + -57 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/57.pdf}} +83 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/83.pdf}} +\xrightarrow[0.14]{1.44} +61 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/61.pdf}} ++ +87 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/87.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(0, 2), (0, 5)] +[(0, 9), (0, 10)] \end{verbatim} -product bonds broken: +product bonds broken:\begin{verbatim} +[(0, 2), (0, 17)] +\end{verbatim} + @@ -12961,11 +12861,11 @@ Terminal.KEEP \end{verbatim} $$ -73 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/73.pdf}} -\xrightarrow[0.00]{0.03} -22 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/22.pdf}} +71 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/71.pdf}} +\xrightarrow[0.00]{1.56} +20 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/20.pdf}} + 56 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/56.pdf}} @@ -12986,19 +12886,19 @@ Terminal.KEEP \end{verbatim} $$ -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}} +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}} + -47 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/47.pdf}} +86 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/86.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(0, 0), (0, 2)] +[(0, 11), (0, 12)] \end{verbatim} product bonds broken: @@ -13006,120 +12906,74 @@ \vspace{1cm} \begin{verbatim} -more than one reactant fragment matching found free_energy dG is above threshold=0.0 Terminal.KEEP \end{verbatim} $$ -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}} +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}} + -95 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/95.pdf}} +55 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/55.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(0, 1), (0, 6)] -\end{verbatim} -product bonds broken:\begin{verbatim} -[(0, 0), (0, 1)] +[(0, 2), (0, 5)] \end{verbatim} - +product bonds broken: \vspace{1cm} \begin{verbatim} -more than one reactant fragment matching found free_energy dG is above threshold=0.0 Terminal.KEEP \end{verbatim} $$ -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}} +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}} + -94 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/94.pdf}} +85 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/85.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(0, 1), (0, 6)] -\end{verbatim} -product bonds broken:\begin{verbatim} -[(0, 0), (0, 1)] +[(0, 11), (0, 12)] \end{verbatim} - +product bonds broken: \vspace{1cm} \begin{verbatim} -more than one reactant fragment matching found free_energy dG is above threshold=0.0 Terminal.KEEP \end{verbatim} $$ -34 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/34.pdf}} +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}} -\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}} -$$ - - -reactant bonds broken:\begin{verbatim} -[(0, 1), (0, 6)] -\end{verbatim} -product bonds broken:\begin{verbatim} -[(0, 0), (0, 1)] -\end{verbatim} - - - - -\vspace{1cm} -\begin{verbatim} -fragment matching found -free_energy dG is above threshold=0.0 -Terminal.KEEP -\end{verbatim} -$$ -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}} $$ reactant bonds broken:\begin{verbatim} -[(0, 11), (0, 12)] +[(0, 0), (0, 2)] \end{verbatim} product bonds broken: @@ -13132,19 +12986,19 @@ Terminal.KEEP \end{verbatim} $$ -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}} +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}} + -85 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/85.pdf}} +95 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/95.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(0, 11), (0, 12)] +[(0, 0), (0, 2)] \end{verbatim} product bonds broken: @@ -13182,19 +13036,19 @@ Terminal.KEEP \end{verbatim} $$ -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}} +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}} + -95 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/95.pdf}} +57 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/57.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(0, 0), (0, 2)] +[(0, 2), (0, 5)] \end{verbatim} product bonds broken: @@ -13257,19 +13111,19 @@ Terminal.KEEP \end{verbatim} $$ -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}} +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}} + -57 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/57.pdf}} +56 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/56.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(0, 10), (0, 23)] +[(0, 2), (0, 5)] \end{verbatim} product bonds broken: @@ -13360,7 +13214,64 @@ product bonds broken:\begin{verbatim} [(1, 0), (1, 1)] \end{verbatim} - + + + + +\vspace{1cm} +\begin{verbatim} +more than one reactant +fragment matching found +free_energy dG is above threshold=0.0 +Terminal.KEEP +\end{verbatim} +$$ +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}} +$$ + + +reactant bonds broken:\begin{verbatim} +[(0, 10), (0, 23)] +\end{verbatim} +product bonds broken: @@ -13372,17 +13283,17 @@ Terminal.KEEP \end{verbatim} $$ -1 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/1.pdf}} +2 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/2.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}} +\xrightarrow[0.09]{0.86} +49 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/49.pdf}} + -90 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/90.pdf}} +92 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/92.pdf}} $$ @@ -13398,33 +13309,26 @@ \vspace{1cm} \begin{verbatim} -more than one reactant fragment matching found free_energy dG is above threshold=0.0 Terminal.KEEP \end{verbatim} $$ -2 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/2.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}} +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}} + -92 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/92.pdf}} +47 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/47.pdf}} $$ reactant bonds broken:\begin{verbatim} -[(1, 0), (1, 11)] -\end{verbatim} -product bonds broken:\begin{verbatim} -[(1, 0), (1, 1)] +[(0, 0), (0, 2)] \end{verbatim} - +product bonds broken: @@ -13455,26 +13359,33 @@ \vspace{1cm} \begin{verbatim} +more than one reactant fragment matching found free_energy dG is above threshold=0.0 Terminal.KEEP \end{verbatim} $$ -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}} +33 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/33.pdf}} + -50 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/50.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}} $$ reactant bonds broken:\begin{verbatim} -[(0, 0), (0, 12)] +[(0, 1), (0, 6)] +\end{verbatim} +product bonds broken:\begin{verbatim} +[(0, 0), (0, 1)] \end{verbatim} -product bonds broken: + @@ -13535,6 +13446,63 @@ +\vspace{1cm} +\begin{verbatim} +fragment matching found +free_energy dG is above threshold=0.0 +Terminal.KEEP +\end{verbatim} +$$ +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}} +$$ + + +reactant bonds broken:\begin{verbatim} +[(0, 1), (0, 6)] +\end{verbatim} +product bonds broken:\begin{verbatim} +[(0, 0), (0, 1)] +\end{verbatim} + + + + \vspace{1cm} \begin{verbatim} more than one reactant @@ -13567,6 +13535,38 @@ +\vspace{1cm} +\begin{verbatim} +more than one reactant +fragment matching found +free_energy dG is above threshold=0.0 +Terminal.KEEP +\end{verbatim} +$$ +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}} +$$ + + +reactant bonds broken:\begin{verbatim} +[(0, 1), (0, 6)] +\end{verbatim} +product bonds broken:\begin{verbatim} +[(0, 0), (0, 1)] +\end{verbatim} + + + + \vspace{1cm} \begin{verbatim} fragment matching found @@ -13592,6 +13592,56 @@ +\vspace{1cm} +\begin{verbatim} +fragment matching found +free_energy dG is above threshold=0.0 +Terminal.KEEP +\end{verbatim} +$$ +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}} +$$ + + +reactant bonds broken:\begin{verbatim} +[(0, 1), (0, 4)] +\end{verbatim} +product bonds broken: + + + \vspace{1cm} \begin{verbatim} fragment matching found @@ -13770,55 +13820,5 @@ -\vspace{1cm} -\begin{verbatim} -fragment matching found -free_energy dG is above threshold=0.0 -Terminal.KEEP -\end{verbatim} -$$ -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}} -$$ - - -reactant bonds broken:\begin{verbatim} -[(0, 1), (0, 4)] -\end{verbatim} -product bonds broken: - - - \vspace{1cm} \end{document} \ No newline at end of file diff --git a/euvl_phase1_test/reaction_tally.tex b/euvl_phase1_test/reaction_tally.tex index 6d14011..b2d5024 100644 --- a/euvl_phase1_test/reaction_tally.tex +++ b/euvl_phase1_test/reaction_tally.tex @@ -15,7 +15,7 @@ -number of reactions which fired: 183 +number of reactions which fired: 192 @@ -23,14 +23,14 @@ -number of species observed: 73 +number of species observed: 74 -4370 occurrences of: +4362 occourances of: $$ -438: +459: 72 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/72.pdf}} + @@ -46,10 +46,10 @@ \vspace{1cm} -3692 occurrences of: +3601 occourances of: $$ -439: +461: 72 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/72.pdf}} \xrightarrow[0.00]{8.00} @@ -65,10 +65,10 @@ \vspace{1cm} -3597 occurrences of: +3564 occourances of: $$ -262: +269: 67 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/67.pdf}} + @@ -87,10 +87,10 @@ \vspace{1cm} -2815 occurrences of: +2794 occourances of: $$ -451: +460: 67 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/67.pdf}} + @@ -106,10 +106,10 @@ \vspace{1cm} -2391 occurrences of: +2430 occourances of: $$ -452: +462: 67 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/67.pdf}} \xrightarrow[0.00]{6.63} @@ -125,18 +125,18 @@ \vspace{1cm} -2317 occurrences of: +2315 occourances of: $$ -514: +509: 29 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/29.pdf}} -\xrightarrow[0.00]{2.79} -4 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/4.pdf}} + -50 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/50.pdf}} +103 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/103.pdf}} +\xrightarrow[0.00]{-2.93} +28 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/28.pdf}} $$ @@ -144,18 +144,18 @@ \vspace{1cm} -2296 occurrences of: +2282 occourances of: $$ -512: +517: 29 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/29.pdf}} +\xrightarrow[0.00]{2.79} +4 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/4.pdf}} + -103 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/103.pdf}} -\xrightarrow[0.00]{-2.93} -28 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/28.pdf}} +50 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/50.pdf}} $$ @@ -163,10 +163,10 @@ \vspace{1cm} -2194 occurrences of: +2165 occourances of: $$ -419: +418: 83 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/83.pdf}} \xrightarrow[0.00]{6.90} @@ -182,21 +182,18 @@ \vspace{1cm} -1909 occurrences of: +1964 occourances of: $$ -263: -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[0.01]{0.10} -42 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/42.pdf}} +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}} + -54 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/54.pdf}} +103 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/103.pdf}} $$ @@ -204,18 +201,21 @@ \vspace{1cm} -1897 occurrences of: +1831 occourances of: $$ -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}} +273: +67 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/67.pdf}} + -103 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/103.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}} ++ +54 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/54.pdf}} $$ @@ -223,10 +223,10 @@ \vspace{1cm} -1619 occurrences of: +1652 occourances of: $$ -258: +256: 65 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/65.pdf}} + @@ -245,10 +245,10 @@ \vspace{1cm} -1038 occurrences of: +1101 occourances of: $$ -267: +289: 69 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/69.pdf}} + @@ -267,10 +267,10 @@ \vspace{1cm} -1026 occurrences of: +1046 occourances of: $$ -516: +521: 30 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/30.pdf}} \xrightarrow[0.00]{0.02} @@ -286,10 +286,10 @@ \vspace{1cm} -936 occurrences of: +965 occourances of: $$ -286: +311: 42 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/42.pdf}} + @@ -308,10 +308,10 @@ \vspace{1cm} -497 occurrences of: +476 occourances of: $$ -442: +488: 73 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/73.pdf}} \xrightarrow[0.00]{0.03} @@ -327,10 +327,10 @@ \vspace{1cm} -336 occurrences of: +311 occourances of: $$ -323: +322: 5 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/5.pdf}} + @@ -349,40 +349,21 @@ \vspace{1cm} -288 occurrences of: +288 occourances of: $$ -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}} +284: +15 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/15.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}} + -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}} $$ @@ -390,10 +371,10 @@ \vspace{1cm} -260 occurrences of: +282 occourances of: $$ -434: +433: 71 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/71.pdf}} \xrightarrow[0.00]{0.30} @@ -409,21 +390,21 @@ \vspace{1cm} -235 occurrences of: +277 occourances of: $$ -280: -15 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/15.pdf}} -+ +274: 67 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/67.pdf}} -\xrightarrow[0.04]{0.42} -42 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/42.pdf}} + -72 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/72.pdf}} +73 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/73.pdf}} +\xrightarrow[0.05]{0.55} +54 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/54.pdf}} ++ +93 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/93.pdf}} $$ @@ -431,18 +412,18 @@ \vspace{1cm} -228 occurrences of: +276 occourances of: $$ -474: -54 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/54.pdf}} -\xrightarrow[0.00]{0.39} +494: +73 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/73.pdf}} +\xrightarrow[0.00]{0.19} +34 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/34.pdf}} ++ 47 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/47.pdf}} -+ -95 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/95.pdf}} $$ @@ -450,18 +431,18 @@ \vspace{1cm} -216 occurrences of: +251 occourances of: $$ -485: -50 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/50.pdf}} +457: +54 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/54.pdf}} +\xrightarrow[0.00]{0.39} +47 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/47.pdf}} + -103 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/103.pdf}} -\xrightarrow[0.00]{-6.58} -49 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/49.pdf}} +95 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/95.pdf}} $$ @@ -469,10 +450,10 @@ \vspace{1cm} -206 occurrences of: +220 occourances of: $$ -420: +419: 84 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/84.pdf}} + @@ -488,18 +469,18 @@ \vspace{1cm} -197 occurrences of: +214 occourances of: $$ -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}} +466: +73 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/73.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}} +\xrightarrow[0.00]{-8.00} +72 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/72.pdf}} $$ @@ -507,21 +488,21 @@ \vspace{1cm} -195 occurrences of: +211 occourances of: $$ -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}} +218: +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} +18 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/18.pdf}} ++ +68 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/68.pdf}} $$ @@ -529,18 +510,18 @@ \vspace{1cm} -191 occurrences of: +185 occourances of: $$ -440: -73 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/73.pdf}} +477: +50 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/50.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}} +\xrightarrow[0.00]{-6.58} +49 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/49.pdf}} $$ @@ -548,10 +529,10 @@ \vspace{1cm} -190 occurrences of: +185 occourances of: $$ -515: +518: 30 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/30.pdf}} + @@ -567,21 +548,21 @@ \vspace{1cm} -185 occurrences of: +180 occourances of: $$ -205: -29 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/29.pdf}} -+ -87 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/87.pdf}} -\xrightarrow[0.07]{0.67} -18 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/18.pdf}} -+ +100: 68 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/68.pdf}} ++ +69 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/69.pdf}} +\xrightarrow[0.00]{0.01} +42 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/42.pdf}} ++ +88 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/88.pdf}} $$ @@ -589,10 +570,10 @@ \vspace{1cm} -185 occurrences of: +177 occourances of: $$ -455: +465: 69 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/69.pdf}} + @@ -608,18 +589,18 @@ \vspace{1cm} -184 occurrences of: +172 occourances of: $$ -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}} +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}} + -56 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/56.pdf}} +103 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/103.pdf}} $$ @@ -627,16 +608,16 @@ \vspace{1cm} -180 occurrences of: +171 occourances of: $$ -203: -28 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/28.pdf}} +224: +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[0.01]{0.08} +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}} + @@ -649,37 +630,18 @@ \vspace{1cm} -179 occurrences of: - -$$ -447: -65 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/65.pdf}} -\xrightarrow[0.00]{0.45} -67 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/67.pdf}} -+ -103 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/103.pdf}} -$$ - - - -\vspace{1cm} - - -173 occurrences of: +169 occourances of: $$ -557: -4 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/4.pdf}} +558: +15 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/15.pdf}} +\xrightarrow[0.00]{0.33} +34 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/34.pdf}} + -103 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/103.pdf}} -\xrightarrow[0.00]{-0.67} -3 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/3.pdf}} +75 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/75.pdf}} $$ @@ -687,10 +649,10 @@ \vspace{1cm} -165 occurrences of: +168 occourances of: $$ -436: +447: 71 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/71.pdf}} \xrightarrow[0.00]{1.58} @@ -706,18 +668,18 @@ \vspace{1cm} -152 occurrences of: +167 occourances of: $$ -536: -14 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/14.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}} -\xrightarrow[0.00]{-1.68} -13 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/13.pdf}} +56 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/56.pdf}} $$ @@ -725,10 +687,10 @@ \vspace{1cm} -152 occurrences of: +166 occourances of: $$ -437: +456: 71 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/71.pdf}} \xrightarrow[0.00]{2.09} @@ -744,18 +706,18 @@ \vspace{1cm} -148 occurrences of: +165 occourances of: $$ -441: -73 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/73.pdf}} -\xrightarrow[0.00]{2.85} -21 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/21.pdf}} +548: +4 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/4.pdf}} + -57 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/57.pdf}} +103 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/103.pdf}} +\xrightarrow[0.00]{-0.67} +3 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/3.pdf}} $$ @@ -763,21 +725,37 @@ \vspace{1cm} -144 occurrences of: +163 occourances of: $$ -222: -28 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/28.pdf}} +538: +14 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/14.pdf}} + -69 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/69.pdf}} -\xrightarrow[0.01]{0.10} -18 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/18.pdf}} +103 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/103.pdf}} +\xrightarrow[0.00]{-1.68} +13 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/13.pdf}} +$$ + + + +\vspace{1cm} + + +162 occourances of: + +$$ +469: +73 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/73.pdf}} +\xrightarrow[0.00]{2.85} +21 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/21.pdf}} + -42 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/42.pdf}} +57 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/57.pdf}} $$ @@ -785,10 +763,10 @@ \vspace{1cm} -144 occurrences of: +150 occourances of: $$ -449: +455: 65 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/65.pdf}} \xrightarrow[0.00]{0.86} @@ -804,10 +782,10 @@ \vspace{1cm} -129 occurrences of: +141 occourances of: $$ -558: +550: 4 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/4.pdf}} \xrightarrow[0.00]{6.54} @@ -823,18 +801,21 @@ \vspace{1cm} -124 occurrences of: +141 occourances of: $$ -538: -14 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/14.pdf}} -\xrightarrow[0.00]{2.45} -2 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/2.pdf}} +233: +28 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/28.pdf}} + -101 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/101.pdf}} +69 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/69.pdf}} +\xrightarrow[0.01]{0.10} +18 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/18.pdf}} ++ +42 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/42.pdf}} $$ @@ -842,18 +823,18 @@ \vspace{1cm} -122 occurrences of: +127 occourances of: $$ -448: -65 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/65.pdf}} -\xrightarrow[0.00]{2.09} -58 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/58.pdf}} +554: +14 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/14.pdf}} +\xrightarrow[0.00]{2.45} +2 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/2.pdf}} + -86 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/86.pdf}} +101 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/101.pdf}} $$ @@ -861,18 +842,21 @@ \vspace{1cm} -114 occurrences of: +124 occourances of: $$ -456: +94: +67 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/67.pdf}} ++ 69 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/69.pdf}} -\xrightarrow[0.00]{4.26} -60 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/60.pdf}} +\xrightarrow[0.07]{0.70} +42 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/42.pdf}} + -86 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/86.pdf}} +88 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/88.pdf}} $$ @@ -880,10 +864,10 @@ \vspace{1cm} -113 occurrences of: +121 occourances of: $$ -511: +508: 28 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/28.pdf}} \xrightarrow[0.00]{2.93} @@ -899,7 +883,29 @@ \vspace{1cm} -112 occurrences of: +112 occourances of: + +$$ +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}} +$$ + + + +\vspace{1cm} + + +108 occourances of: $$ 1: @@ -921,18 +927,18 @@ \vspace{1cm} -108 occurrences of: +106 occourances of: $$ -537: -14 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/14.pdf}} -\xrightarrow[0.00]{3.69} -15 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/15.pdf}} +468: +69 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/69.pdf}} +\xrightarrow[0.00]{4.26} +60 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/60.pdf}} + -103 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/103.pdf}} +86 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/86.pdf}} $$ @@ -940,10 +946,10 @@ \vspace{1cm} -102 occurrences of: +106 occourances of: $$ -413: +412: 87 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/87.pdf}} \xrightarrow[0.00]{3.51} @@ -959,21 +965,18 @@ \vspace{1cm} -101 occurrences of: +105 occourances of: $$ -63: -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}} +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}} + -88 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/88.pdf}} +86 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/86.pdf}} $$ @@ -981,21 +984,18 @@ \vspace{1cm} -98 occurrences of: +94 occourances of: $$ -69: -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}} +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}} + -70 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/70.pdf}} +103 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/103.pdf}} $$ @@ -1003,10 +1003,10 @@ \vspace{1cm} -90 occurrences of: +87 occourances of: $$ -151: +174: 34 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/34.pdf}} + @@ -1025,40 +1025,21 @@ \vspace{1cm} -82 occurrences of: - -$$ -495: -42 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/42.pdf}} -+ -103 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/103.pdf}} -\xrightarrow[0.00]{-4.77} -41 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/41.pdf}} -$$ - - - -\vspace{1cm} - - -75 occurrences of: +82 occourances of: $$ -101: -42 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/42.pdf}} +353: +16 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/16.pdf}} + -47 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/47.pdf}} -\xrightarrow[0.01]{0.09} 67 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/67.pdf}} +\xrightarrow[0.02]{0.16} +4 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/4.pdf}} + -76 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/76.pdf}} +42 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/42.pdf}} $$ @@ -1066,10 +1047,10 @@ \vspace{1cm} -74 occurrences of: +81 occourances of: $$ -539: +557: 15 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/15.pdf}} + @@ -1085,29 +1066,7 @@ \vspace{1cm} -73 occurrences of: - -$$ -333: -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}} -$$ - - - -\vspace{1cm} - - -70 occurrences of: +79 occourances of: $$ 326: @@ -1129,18 +1088,21 @@ \vspace{1cm} -60 occurrences of: +78 occourances of: $$ -414: -88 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/88.pdf}} +95: +42 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/42.pdf}} + -103 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/103.pdf}} -\xrightarrow[0.00]{-3.51} -87 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/87.pdf}} +47 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/47.pdf}} +\xrightarrow[0.01]{0.09} +67 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/67.pdf}} ++ +76 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/76.pdf}} $$ @@ -1148,21 +1110,18 @@ \vspace{1cm} -55 occurrences of: +77 occourances of: $$ -314: -16 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/16.pdf}} -+ -54 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/54.pdf}} -\xrightarrow[0.01]{0.06} -4 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/4.pdf}} +487: +42 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/42.pdf}} + -73 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/73.pdf}} +103 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/103.pdf}} +\xrightarrow[0.00]{-4.77} +41 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/41.pdf}} $$ @@ -1170,21 +1129,21 @@ \vspace{1cm} -47 occurrences of: +62 occourances of: $$ -255: -14 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/14.pdf}} +314: +16 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/16.pdf}} + -87 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/87.pdf}} -\xrightarrow[0.07]{0.68} -68 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/68.pdf}} +54 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/54.pdf}} +\xrightarrow[0.01]{0.06} +4 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/4.pdf}} + -71 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/71.pdf}} +73 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/73.pdf}} $$ @@ -1192,21 +1151,18 @@ \vspace{1cm} -43 occurrences of: +58 occourances of: $$ -525: -4 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/4.pdf}} -+ -34 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/34.pdf}} -\xrightarrow[0.01]{0.14} -16 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/16.pdf}} +413: +88 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/88.pdf}} + -95 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/95.pdf}} +103 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/103.pdf}} +\xrightarrow[0.00]{-3.51} +87 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/87.pdf}} $$ @@ -1214,10 +1170,10 @@ \vspace{1cm} -41 occurrences of: +49 occourances of: $$ -185: +179: 28 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/28.pdf}} + @@ -1236,21 +1192,21 @@ \vspace{1cm} -40 occurrences of: +44 occourances of: $$ -329: -3 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/3.pdf}} +270: +15 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/15.pdf}} + -42 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/42.pdf}} -\xrightarrow[0.01]{0.06} -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}} + -65 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/65.pdf}} +73 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/73.pdf}} $$ @@ -1258,21 +1214,21 @@ \vspace{1cm} -40 occurrences of: +43 occourances of: $$ -287: -15 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/15.pdf}} +236: +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[0.03]{0.32} -72 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/72.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}} + -73 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/73.pdf}} +71 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/71.pdf}} $$ @@ -1280,10 +1236,10 @@ \vspace{1cm} -33 occurrences of: +42 occourances of: $$ -281: +287: 15 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/15.pdf}} + @@ -1302,18 +1258,21 @@ \vspace{1cm} -33 occurrences of: +39 occourances of: $$ -415: -88 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/88.pdf}} -\xrightarrow[0.00]{6.68} -89 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/89.pdf}} +235: +15 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/15.pdf}} + -103 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/103.pdf}} +95 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/95.pdf}} +\xrightarrow[0.01]{0.12} +34 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/34.pdf}} ++ +72 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/72.pdf}} $$ @@ -1321,21 +1280,43 @@ \vspace{1cm} -31 occurrences of: +37 occourances of: $$ -249: -15 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/15.pdf}} +329: +3 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/3.pdf}} ++ +42 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/42.pdf}} +\xrightarrow[0.01]{0.06} +16 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/16.pdf}} ++ +65 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/65.pdf}} +$$ + + + +\vspace{1cm} + + +33 occourances of: + +$$ +524: +4 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/4.pdf}} + -95 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/95.pdf}} -\xrightarrow[0.01]{0.12} 34 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/34.pdf}} +\xrightarrow[0.01]{0.14} +16 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/16.pdf}} + -72 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/72.pdf}} +95 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/95.pdf}} $$ @@ -1343,18 +1324,18 @@ \vspace{1cm} -24 occurrences of: +32 occourances of: $$ -453: -68 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/68.pdf}} +414: +88 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/88.pdf}} +\xrightarrow[0.00]{6.68} +89 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/89.pdf}} + 103 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/103.pdf}} -\xrightarrow[0.00]{-1.98} -66 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/66.pdf}} $$ @@ -1362,18 +1343,18 @@ \vspace{1cm} -22 occurrences of: +32 occourances of: $$ -487: -47 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/47.pdf}} +463: +68 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/68.pdf}} + 103 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/103.pdf}} -\xrightarrow[0.00]{-4.99} -46 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/46.pdf}} +\xrightarrow[0.00]{-1.98} +66 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/66.pdf}} $$ @@ -1381,7 +1362,7 @@ \vspace{1cm} -21 occurrences of: +30 occourances of: $$ 33: @@ -1403,21 +1384,37 @@ \vspace{1cm} -21 occurrences of: +29 occourances of: $$ -145: -34 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/34.pdf}} +479: +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[0.01]{0.11} -27 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/27.pdf}} +103 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/103.pdf}} +\xrightarrow[0.00]{-4.99} +46 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/46.pdf}} +$$ + + + +\vspace{1cm} + + +27 occourances of: + +$$ +552: +5 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/5.pdf}} + -87 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/87.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}} $$ @@ -1425,21 +1422,37 @@ \vspace{1cm} -20 occurrences of: +25 occourances of: $$ -257: -42 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/42.pdf}} +526: +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[0.06]{0.58} -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]{-1.96} +20 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/20.pdf}} +$$ + + + +\vspace{1cm} + + +22 occourances of: + +$$ +452: +56 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/56.pdf}} + -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]{-1.94} +55 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/55.pdf}} $$ @@ -1447,10 +1460,10 @@ \vspace{1cm} -20 occurrences of: +20 occourances of: $$ -496: +490: 93 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/93.pdf}} \xrightarrow[0.00]{1.57} @@ -1466,18 +1479,18 @@ \vspace{1cm} -19 occurrences of: +19 occourances of: $$ -559: -5 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/5.pdf}} +545: +3 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/3.pdf}} +\xrightarrow[0.00]{0.67} +4 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/4.pdf}} + 103 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/103.pdf}} -\xrightarrow[0.00]{-6.54} -4 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/4.pdf}} $$ @@ -1485,10 +1498,10 @@ \vspace{1cm} -18 occurrences of: +18 occourances of: $$ -400: +398: 94 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/94.pdf}} \xrightarrow[0.00]{-0.10} @@ -1504,43 +1517,43 @@ \vspace{1cm} -18 occurrences of: +18 occourances of: $$ -376: -4 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/4.pdf}} +163: +34 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/34.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}} +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}} + -88 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/88.pdf}} -$$ +87 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/87.pdf}} +$$ \vspace{1cm} -17 occurrences of: +17 occourances of: $$ -55: -42 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/42.pdf}} +370: +4 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/4.pdf}} ++ +69 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/69.pdf}} +\xrightarrow[0.05]{0.54} +16 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/16.pdf}} + 88 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/88.pdf}} -\xrightarrow[0.05]{0.47} -67 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/67.pdf}} -+ -70 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/70.pdf}} $$ @@ -1548,37 +1561,21 @@ \vspace{1cm} -16 occurrences of: +17 occourances of: $$ -527: -21 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/21.pdf}} +234: +28 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/28.pdf}} + -103 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/103.pdf}} -\xrightarrow[0.00]{-1.96} -20 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/20.pdf}} -$$ - - - -\vspace{1cm} - - -16 occurrences of: - -$$ -418: -86 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/86.pdf}} +69 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/69.pdf}} +\xrightarrow[0.05]{0.54} +18 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/18.pdf}} + -103 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/103.pdf}} -\xrightarrow[0.00]{-3.98} -85 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/85.pdf}} +93 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/93.pdf}} $$ @@ -1586,21 +1583,21 @@ \vspace{1cm} -16 occurrences of: +17 occourances of: $$ -311: -47 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/47.pdf}} +96: +67 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/67.pdf}} + -73 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/73.pdf}} -\xrightarrow[0.02]{0.19} -54 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/54.pdf}} +69 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/69.pdf}} +\xrightarrow[0.11]{1.14} +88 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/88.pdf}} + -76 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/76.pdf}} +93 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/93.pdf}} $$ @@ -1608,18 +1605,18 @@ \vspace{1cm} -16 occurrences of: +16 occourances of: $$ -529: -22 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/22.pdf}} +530: +18 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/18.pdf}} + 103 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/103.pdf}} -\xrightarrow[0.00]{-4.81} -21 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/21.pdf}} +\xrightarrow[0.00]{-1.60} +17 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/17.pdf}} $$ @@ -1627,32 +1624,10 @@ \vspace{1cm} -15 occurrences of: +16 occourances of: $$ -106: -34 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/34.pdf}} -+ -54 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/54.pdf}} -\xrightarrow[0.02]{0.20} -73 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/73.pdf}} -+ -95 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/95.pdf}} -$$ - - - -\vspace{1cm} - - -15 occurrences of: - -$$ -330: +332: 4 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/4.pdf}} + @@ -1671,18 +1646,18 @@ \vspace{1cm} -15 occurrences of: +16 occourances of: $$ -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}} +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}} + -103 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/103.pdf}} +101 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/101.pdf}} $$ @@ -1690,21 +1665,21 @@ \vspace{1cm} -14 occurrences of: +15 occourances of: $$ -64: -67 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/67.pdf}} +4: +54 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/54.pdf}} + 69 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/69.pdf}} -\xrightarrow[0.11]{1.14} +\xrightarrow[0.06]{0.60} +73 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/73.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}} $$ @@ -1712,18 +1687,18 @@ \vspace{1cm} -14 occurrences of: +14 occourances of: $$ -510: -34 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/34.pdf}} +528: +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]{-5.04} -33 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/33.pdf}} +\xrightarrow[0.00]{-4.81} +21 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/21.pdf}} $$ @@ -1731,18 +1706,21 @@ \vspace{1cm} -14 occurrences of: +14 occourances of: $$ -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}} +309: +47 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/47.pdf}} + -101 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/101.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}} $$ @@ -1750,18 +1728,18 @@ \vspace{1cm} -13 occurrences of: +14 occourances of: $$ -223: -28 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/28.pdf}} +103: +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[0.05]{0.54} -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]{0.35} +47 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/47.pdf}} + 93 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/93.pdf}} @@ -1772,10 +1750,10 @@ \vspace{1cm} -13 occurrences of: +14 occourances of: $$ -473: +454: 57 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/57.pdf}} + @@ -1791,43 +1769,21 @@ \vspace{1cm} -12 occurrences of: +13 occourances of: $$ -103: -67 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/67.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}} -+ -93 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/93.pdf}} -$$ - - - -\vspace{1cm} - - -12 occurrences of: - -$$ -300: -27 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/27.pdf}} +260: +65 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/65.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}} +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}} + -34 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/34.pdf}} +89 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/89.pdf}} $$ @@ -1835,15 +1791,15 @@ \vspace{1cm} -12 occurrences of: +13 occourances of: $$ -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}} +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}} + 103 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/103.pdf}} @@ -1854,21 +1810,21 @@ \vspace{1cm} -11 occurrences of: +12 occourances of: $$ -254: +176: 34 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/34.pdf}} + -71 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/71.pdf}} -\xrightarrow[0.03]{0.28} -15 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/15.pdf}} +67 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/67.pdf}} +\xrightarrow[0.07]{0.75} +93 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/93.pdf}} + -94 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/94.pdf}} +95 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/95.pdf}} $$ @@ -1876,21 +1832,21 @@ \vspace{1cm} -11 occurrences of: +12 occourances of: $$ -259: -65 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/65.pdf}} +248: +42 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/42.pdf}} ++ +54 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/54.pdf}} +\xrightarrow[0.06]{0.58} +68 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/68.pdf}} + 73 \raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/73.pdf}} -\xrightarrow[0.07]{0.66} -13 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/13.pdf}} -+ -89 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/89.pdf}} $$ @@ -1898,18 +1854,21 @@ \vspace{1cm} -11 occurrences of: +11 occourances of: $$ -469: -60 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/60.pdf}} +271: +15 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/15.pdf}} + -103 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/103.pdf}} -\xrightarrow[0.00]{-6.50} -59 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/59.pdf}} +65 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/65.pdf}} +\xrightarrow[0.06]{0.57} +42 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/42.pdf}} ++ +71 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/71.pdf}} $$ @@ -1917,18 +1876,21 @@ \vspace{1cm} -11 occurrences of: +11 occourances of: $$ -528: -21 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/21.pdf}} -\xrightarrow[0.00]{4.81} -22 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/22.pdf}} +295: +27 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/27.pdf}} + -103 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/103.pdf}} +72 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/72.pdf}} +\xrightarrow[0.00]{0.05} +14 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/14.pdf}} ++ +34 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/34.pdf}} $$ @@ -1936,21 +1898,21 @@ \vspace{1cm} -11 occurrences of: +11 occourances of: $$ -384: -2 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/2.pdf}} +66: +42 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/42.pdf}} + -16 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/16.pdf}} -\xrightarrow[0.00]{0.03} -4 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/4.pdf}} +88 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/88.pdf}} +\xrightarrow[0.05]{0.47} +67 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/67.pdf}} + -92 -\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/92.pdf}} +70 +\raisebox{-.5\height}{\includegraphics[scale=0.15]{mol_pictures/70.pdf}} $$ diff --git a/euvl_phase1_test/rn.sqlite b/euvl_phase1_test/rn.sqlite index c289571ae5a20b09d889c29048255b40e326f0e2..40b7008357ae3654769f1c31769e0c9e378954a5 100644 GIT binary patch delta 3970 zcmY+Hd0bXi9>(8u-+e~`Hx_xhityems34*uD54<9E((IO32G|tBD(@EHM!(tmZCUj zQ|j2%N17IM9VfLkD?g4kWolYETB%cMR5LoywVCOk}urHBAb9-)XnNTTkI z7V2K8rtXP9Q1`$mq(9DcydO*>72%8NWOoc9yWt7a2d|NCTq9lB#<@=XoS+B?T>LFN zPSUaAJJO0^`WB=mDA<+IN9@I+1P@jv1PUY0B`BT!6W7?mHtm%1NrQ_J{?y`cz5QiTU$<5dxYRO-H1N(Lj3P7qd* zfq01wz$auMTrBbGy(@d;>S&c);N(g@F@o#?bBf9>m`Ux2&7?1$<4WBTL%$nBCn(ZN 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-\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 - 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