deletions | additions       diff --git a/begin_table_label_table_vsexp__.tex b/begin_table_label_table_vsexp__.tex  index 1c444a1..ba8b0af 100644  --- a/begin_table_label_table_vsexp__.tex  +++ b/begin_table_label_table_vsexp__.tex 
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\begin{table}  \label{table:vsexp}  \caption{Outliers \caption{Computed using Charmm22cmap optimized structures. Outliers  have not been removed} \begin{center}  \begin{tabular}{ c c c c c c c }  \hline 
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2OED & & & & & & \\  QM$^a$ & 2.1 (0.71) & 2.4 (0.53) & & 0.4 (0.76) & 0.6 (0.87) & 4.6 (0.78) \\  ProCS15$^a$ & 1.7 (0.71) & 2.1 (0.42) & & 0.4 (0.75) & 0.7 (0.85) & 4.9 (0.91) \\  ProCS15$^b$ ProCS15  & 1.6 (0.70) & 2.0 (0.42) & & 0.3 (0.85) & 0.6 (0.76) & 4.3 (0.88) \\ CheShift & 1.7 (0.68) & 1.8 (0.53) & & & & \\  CamShift & 1.2 (0.81) & 0.4 (0.82) & & 0.3 (0.89) & 1.0 (0.83) & 3.3 (0.54) \\  ppm & 1.0 (0.87) & 0.4 (0.89) & & 0.2 (0.92) & 0.9 (0.87) & 2.3 (0.79) \\ 
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\end{tabular}  \end{center}  \end{table}   $^a$Computed using PM6-D3H+ optimized structures