0;                                              <span class="stringliteral">&#39;NI1&#39;</span>,  <span class="comment"># nickel ion, 1 water coordinated</span></div><div class="line"><a name="l00030"></a><span class="lineno">   30</span>&#160;                                              <span class="stringliteral">&#39;O2&#39;</span>,  <span class="comment"># oxygen molecule</span></div><div class="line"><a name="l00031"></a><span class="lineno">   31</span>&#160;                                         