2 <?xml-stylesheet type="text/xsl" href="referencedata.xsl"?>
4 <String Name="CommandLine">insert-molecules -box 4 -seed 1997</String>
5 <OutputFiles Name="Files">
7 <String Name="Contents"><![CDATA[
8 test molecule for insertion at origin
10 1X X1 1 0.000 0.000 0.000
11 1X X2 2 -0.060 0.121 0.008
12 2X X1 3 1.000 2.000 3.000
13 2X X2 4 1.051 2.120 2.965
14 3X X1 5 2.000 1.000 2.000
15 3X X2 6 2.035 1.128 2.025
16 4.00000 4.00000 4.00000