<html><head></head><body><div class="yahoo-style-wrap" style="font-family:Helvetica Neue, Helvetica, Arial, sans-serif;font-size:13px;"><div dir="ltr" data-setdir="false"><b><font size="3">dear wien2k user's </font></b></div><div dir="ltr" data-setdir="false"><b><font size="3">for minimisation positions: i need <span><span style="color: rgb(0, 0, 0); font-family: "Helvetica Neue", Helvetica, Arial, sans-serif;"> case.inM for position below ???</span></span></font></b></div><div dir="ltr" data-setdir="false"><span><span style="color: rgb(0, 0, 0); font-family: "Helvetica Neue", Helvetica, Arial, sans-serif;"><br></span></span></div><div dir="ltr" data-setdir="false"><span><div><p class="ydp22177f5fMsoPlainText"><span style="font-family:"Courier New"">ATOM 1 position1 :X=
0.88670000 Y=0.66666667 Z=0.75000000<br>
<span> </span><span> </span><span> </span>position2
:X= 0.33333333 Y=0.22003333 Z=0.41666667<br>
<span> </span>position3 <span> </span>X= 0.77996667 Y=0.11330000 Z=0.08333333</span></p>
<p class="ydp22177f5fMsoPlainText"><span style="font-family:"Courier New"">ATOM2 <span> </span>position1<span>
</span>X=0.25390000 Y=0.25540000 Z=0.66020000<br>
<span> </span>Position2<span> </span>X= 0.74460000 Y=0.99850000 Z=0.32686667<br>
<span> </span>Position3 <span> </span>X= 0.00150000 Y=0.74610000 Z=0.99353333</span></p>
<p class="ydp22177f5fMsoPlainText"><span style="font-family:"Courier New"">ATOM3<span> </span>position1 <span> </span>X=0.66666667 Y=0.07740000 Z=0.83860000<br>
<span> </span>Position2<span> </span>X= 0.92260000 Y=0.58926667 Z=0.50526667<br>
<span> </span>Position3 <span> </span>X= 0.41073333 Y=0.33333333 Z=0.17193333</span></p>
<p class="ydp22177f5fMsoPlainText"><span style="font-family:"Courier New"">ATOM4<span> </span>position1<span>
</span>X=0.33333333 Y=0.38240000 Z=0.91640000<br>
<span> </span>Position2<span> </span>X= 0.61760000 Y=0.95093333 Z=0.58306667<br>
<span> </span>Position3 <span> </span>X= 0.04906667 Y=0.66666667 Z=0.24973333</span></p>
<p class="ydp22177f5fMsoPlainText"><span style="font-family:"Courier New"">ATOM5<span> </span>position1 <span> </span>X=0.37650000 Y=0.17900000 Z=0.80190000<br>
<span> </span>Position2 <span> </span>X= 0.82100000 Y=0.19750000 Z=0.46856667<br>
<span> </span>Position3 <span> </span>X= 0.80250000 Y=0.62350000 Z=0.13523333</span></p>
<p class="ydp22177f5fMsoPlainText"><span style="font-family:"Courier New"">ATOM6 <span> </span>position1<span>
</span>X=0.85110000 Y=0.15410000 Z=0.69700000<br>
<span> </span>Position2 <span> </span>X= 0.84590000 Y=0.69700000 Z=0.36366667<br>
<span> </span>Position3 <span> </span>X= 0.30300000 Y=0.14890000 Z=0.03033333</span></p>
<p class="ydp22177f5fMsoPlainText"><span style="font-family:"Courier New"">ATOM7<span> </span>position1<span>
</span>X=0.00060000 Y=0.43250000 Z=0.91230000<br>
<span> </span>Position2 <span> </span>x= 0.56750000 Y=0.56810000 Z=0.57896667<br>
<span> </span>Position3 <span> </span>X= 0.43190000 Y=0.99940000 Z=0.24563333</span></p>
<p class="ydp22177f5fMsoPlainText"><span style="font-family:"Courier New"">ATOM8 <span> </span>position1 <span> </span>X=0.66800000 Y=0.76580000 Z=0.91990000<br>
</span><span lang="EN-US" style="font-family:"Courier New";mso-ansi-language:EN-US"><span> </span>Position2 <span> </span>X= 0.23420000 Y=0.90220000 Z=0.58656667<br>
</span></p><div><span lang="EN-US" style="font-family:"Courier New";mso-ansi-language:EN-US"><span> </span>Position3 <span> </span>X= 0.09780000 Y=0.33200000 Z=0.25323333</span></div><p></p></div></span></div></div></body></html>