     <span class="n">subgraph</span> <span class="o">=</span> <span class="bp">self</span><span class="o">.</span><span class="n">molgraph</span><span class="o">.</span><span class="n">graph</span><span class="o">.</span><span class="n">subgraph</span><span class="p">(</span><span class="nb">list</span><span class="p">(</span><span class="n">atoms</span><span class="p">))</span><span class="o">.</span><span class="n">to_undirected</span><span class="p">()</span>

        <span class="n">func_grps_no_h</span