      <span class="keywordflow">if</span>(have_lig){
<a name="l00716"></a>00716           *ligand = <span class="keyword">new</span> <a class="code" href="classSimSite3D_1_1mol2File.html">mol2File</a>(lig_fname);
<a name="l00717"></a>00717           <span class="keywordflow">if</span>(!*ligand || (*ligand)-&gt;<a class="code" href="classSimSite3D_1_1CoordFile.html#62b4ac1cdf4bae7acb19ce63bfca599d">fail</a>()){
<a name="l00718"></a>00718             <span class="keywordflow">if</span>(*ligand) <span class="k