<?xml version="1.0" encoding="iso-8859-1"?> <?xml-stylesheet
href="http://www.w3.org/2000/08/w3c-synd/style.css" type="text/css"?> <rdf:RDF
xmlns:rdf="http://www.w3.org/1999/02/22-rdf-syntax-ns#" xmlns="http://purl.org/rss/1.0/"
xmlns:mn="http://usefulinc.com/rss/manifest/" xmlns:dc="http://purl.org/dc/elements/1.1/"
xmlns:cml="http://www.xml-cml.org/schema/cml2/core"> <channel
rdf:about="http://www.ch.ic.ac.uk/motm/"> <title>Chemical Information Technology</title>

<link>http://www.ch.ic.ac.uk/local/it/</link>

<description>A course to introduce searching for chemical information</description>

<dc:publisher>Imperial College London</dc:publisher>

<dc:creator>rzepa@imperial.ac.uk</dc:creator>

<image rdf:resource="http://www.ch.ic.ac.uk/motm/motm.gif" />

<items> <rdf:Seq> 

<rdf:li rdf:resource="http://www.ch.ic.ac.uk/local/it/" />

</rdf:Seq>
</items> 
</channel>

<image rdf:about="http://www.ch.ic.ac.uk/local/it/it.gif"> <title>Chemical Information Technology</title>

<url>http://www.ch.ic.ac.uk/local/it/it.gif</url>

<link>http://www.ch.ic.ac.uk/local/it/</link>

<dc:description>A course to introduce searching for chemical information</dc:description> </image>



<item rdf:about="http://www.ligand.info/">
<link>http://www.ligand.info/</link>

<title>Ligand Site Database</title>

<description>Ligand Site is an interesting new database entry with around  1 million entries.</description>

<dc:subject>Ligand Site Database</dc:subject>

<dc:date>2004-11-10T00:00:00-00:00</dc:date>

<dc:creator>Henry S. Rzepa</dc:creator>

</item>

<item rdf:about="http://www.ch.ic.ac.uk/local/it/news.html">
<link>http://www.ch.ic.ac.uk/local/it/news.html</link>

<title>EndNote/Crossfire  issue</title>

<description>Export from Crossfire 7 to EndNote 7  requires the following additional step:
Invoke  Task/Get all related citations from a reaction or substance search to format
citations correctly</description>

<dc:subject>Crossfire, Endnote</dc:subject>

<dc:date>2004-11-14T00:00:00-00:00</dc:date>

<dc:creator>Henry S. Rzepa</dc:creator>

</item>


<item rdf:about="http://www.ch.ic.ac.uk/motm/cavities.html">
<link>http://www.ch.ic.ac.uk/motm/cavities.html</link>

<title>Example of a molecule embedded within an  RSS Feed</title>

<description>Example of a molecule embedded within an  RSS Feed</description>

<dc:subject>Molecule embedded within an  RSS Feed</dc:subject>

<dc:date>2003-11-10T00:00:00-00:00</dc:date>

<dc:creator>Henry S. Rzepa</dc:creator>

<cml:molecule xmlns:cml="http://www.xml-cml.org/schema/cml2/core" title="Anthracene Resorcinol with
cyclohexadiene and ethyl acrylate in cavity"> <cml:metadataList title="generated automatically from
Openbabel"> <cml:metadata name="dc:creator" content="OpenBabel version 1-100.1" />

<cml:metadata name="dc:description" content="Anthracene Resorcinol with cyclohexadiene and ethyl
acrylate in cavity" />

<cml:metadata name="dc:identifier" content="Unknown" />

<cml:metadata name="dc:content" />

<cml:metadata name="dc:rights" content="unknown" />

<cml:metadata name="dc:type" content="chemistry" />

<cml:metadata name="dc:contributor" content="unknown" />

<cml:metadata name="dc:creator" content="Openbabel V1-100.1" />

<cml:metadata name="dc:date" content="Sun Feb 29 21:15:46 GMT 2004" />

<cml:metadata name="cmlm:structure" content="yes" /> </cml:metadataList>

<cml:atomArray atomID="a1 a2 a3 a4 a5 a6 a7 a8 a9 a10 a11 a12 a13 a14 a15 a16 a17 a18 a19 a20 a21
a22 a23 a24 a25 a26 a27 a28 a29 a30 a31 a32 a33 a34 a35 a36 a37 a38 a39 a40 a41 a42 a43 a44 a45 a46
a47 a48 a49 a50 a51 a52 a53 a54 a55 a56 a57 a58 a59 a60 a61 a62 a63 a64 a65 a66 a67 a68 a69 a70 a71
a72 a73 a74 a75 a76 a77 a78 a79 a80 a81 a82 a83 a84 a85 a86 a87 a88 a89 a90 a91 a92 a93 a94 a95 a96
a97 a98 a99 a100 a101 a102 a103 a104 a105 a106 a107 a108 a109 a110 a111 a112 a113 a114 a115 a116
a117 a118 a119 a120 a121 a122 a123 a124 a125 a126 a127 a128 a129 a130 a131 a132 a133 a134 a135 a136
a137 a138 a139 a140 a141 a142 a143 a144 a145 a146 a147 a148 a149 a150 a151 a152 a153 a154 a155 a156
a157 a158 a159 a160 a161 a162 a163 a164 a165 a166 a167 a168 a169 a170 a171 a172 a173 a174 a175 a176
a177 a178 a179 a180 a181 a182 a183 a184 a185 a186 a187 a188 a189 a190 a191 a192 a193 a194 a195 a196
a197 a198 a199 a200 a201 a202 a203 a204 a205 a206 a207 a208 a209 a210 a211 a212 a213 a214 a215 a216
a217 a218 a219 a220 a221 a222 a223 a224 a225 a226 a227 a228 a229 a230 a231 a232 a233 a234 a235 a236"
elementType="O O C C C C C H H H H H H H H O O O O C C C C C C C C C C C C C C C C C C C C C C C C C
C H H H H H H H H H H H H H H H H H H O O O O C C C C C C C C C C C C C C C C C C C C C C C C C C H
H H H H H H H H H H H H H H H H H O O O O C C C C C C C C C C C C C C C C C C C C C C C C C C H H H
H H H H H H H H H H H H H H H O O O O C C C C C C C C C C C C C C C C C C C C C C C C C C H H H H H
H H H H H H H H H H H H H O O C C C C C H H H H H H H H C C C C C C H H H H H H H H" formalCharge="0
0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0" x3="-0.599700 1.476900
1.061600 0.602200 1.171400 0.551400 2.237700 0.836900 0.180900 2.084700 -0.516000 0.808000 2.338200
2.967800 2.073400 -2.195200 -4.158000 8.238500 6.262300 -0.802200 -2.083700 -3.201600 -3.029400
-1.752800 -0.664900 0.743400 1.321600 0.626100 1.201700 2.579700 3.250800 2.654300 3.364500 2.761200
3.436700 2.871600 1.572700 0.881900 1.416200 4.712400 5.841900 7.121300 7.276100 6.159100 4.872900
-2.958100 -3.886500 8.024300 7.094900 0.041400 -4.160700 -1.703000 -0.401100 0.633400 3.018400
4.289200 4.295000 3.361500 1.232800 0.207000 5.736200 8.228400 3.997300 4.248700 3.547200 15.482400
14.814400 6.147000 4.779300 3.905200 4.407700 5.769700 6.641000 8.127000 8.745400 8.043600 8.674200
10.035400 10.765400 10.177500 10.936200 10.307800 11.058000 10.463800 8.994600 8.266000 8.885400
12.401900 13.282400 14.655000 15.153900 14.275000 12.887100 5.056500 2.377700 16.203800 15.303000
6.683100 3.000600 6.151200 7.181600 8.233400 10.543800 11.728000 12.168800 11.045400 8.573700
7.181700 12.956800 16.240800 12.248900 -14.562100 -15.378100 -3.412300 -4.202000 -12.717400
-14.069300 -14.966200 -14.498100 -13.152200 -12.257300 -10.778100 -10.019800 -10.557300 -9.782800
-8.424500 -7.845600 -8.590700 -7.983200 -8.768400 -8.179100 -8.912200 -10.371000 -10.951700
-10.179700 -6.527700 -5.621200 -4.261300 -3.797900 -4.705600 -6.081500 -13.824900 -16.240800
-2.706800 -4.933100 -12.152300 -15.866000 -12.789300 -11.413000 -10.134500 -7.809800 -6.885600
-7.082500 -8.450300 -10.902500 -12.027900 -5.927600 -2.717300 -6.726700 -6.275700 -8.072800 4.288200
2.468200 -4.818800 -6.113600 -7.192900 -6.977000 -5.683500 -4.634300 -3.211500 -2.475000 -3.025200
-2.301800 -0.903500 -0.367700 -1.122400 -0.564900 -1.320800 -0.798900 -1.514300 -2.819600 -3.372100
-2.673000 0.803400 1.900300 3.200300 3.403600 2.315600 1.012700 -7.004600 -7.771500 4.071000
3.301800 -3.996300 -8.163300 -5.575600 -4.055600 -2.761100 -0.333100 0.686000 0.066000 -1.141400
-3.258000 -4.041500 1.774000 4.359500 0.177700 0.729300 -1.335100 -0.911500 -0.417100 -1.021000
-0.171800 -2.051100 -0.640300 -0.177300 -1.986800 -0.579500 0.719400 -2.843500 -1.847400 -2.373000
-1.191800 -0.450900 0.929100 1.525700 0.887200 -0.527200 -2.014600 -1.186900 1.527300 2.484400
1.110900 1.024900 -0.622600 -1.106200" y3="-3.596800 -3.631600 -4.538700 -3.124300 -1.959800
-2.050500 -4.425900 -5.447200 -4.232200 -1.803700 -1.771700 -1.617600 -3.497700 -4.745800 -4.911900
-10.559700 -6.677300 -6.752800 -2.856500 -8.900300 -9.342200 -8.616400 -7.416600 -6.894400 -7.649400
-7.137800 -7.443500 -8.209800 -8.479800 -8.021700 -7.347000 -6.989100 -6.234000 -5.903400 -5.214300
-4.897600 -5.330700 -6.049500 -6.384400 -5.736900 -6.494100 -6.060400 -4.825200 -4.064700 -4.541700
-10.865100 -5.842000 -7.607100 -2.683900 -9.492500 -8.952600 -5.944200 -8.541400 -8.604300 -8.231400
-7.048200 -5.009800 -4.491800 -5.304200 -6.177800 -7.341700 -4.401600 -3.944900 -0.949300 3.765300
0.774200 5.460000 0.548200 0.302600 1.353200 2.654200 2.886300 1.834700 2.057900 2.167200 2.015800
2.140300 2.352700 2.422800 2.375100 2.451500 2.395100 2.461900 2.391500 2.189100 2.069500 2.176800
2.684500 1.595500 1.855800 3.110700 4.196800 3.990000 -1.787800 3.513100 1.031600 5.581700 -0.160500
1.097500 3.724600 1.973100 1.889400 2.146400 2.546200 2.677500 2.490700 2.211400 1.897000 0.580800
3.277100 4.671100 -5.462400 -1.088700 -3.988700 0.336200 -4.124200 -4.323300 -3.339800 -2.141300
-1.957000 -2.938200 -2.736100 -2.209800 -1.872700 -1.320200 -1.116100 -1.495900 -2.010700 -2.385200
-2.908700 -3.319800 -3.804600 -3.975500 -3.653700 -3.093400 -2.181200 -3.193700 -2.972100 -1.823000
-0.821700 -0.992100 -6.020500 -1.371800 -3.778500 0.942600 -4.745900 -3.581800 -1.174400 -1.895800
-1.304600 -1.006200 -1.380200 -3.147200 -4.089100 -4.282300 -3.831400 -4.150700 -1.671600 -0.332500
2.134100 6.510500 6.328600 10.690300 3.983700 3.502200 4.343100 5.672700 6.245400 5.375600 5.928900
6.095900 5.761500 5.931800 6.450500 6.722300 6.609800 6.909700 6.785100 7.017500 6.887400 6.435300
6.128100 6.283700 7.467600 6.614600 7.108100 8.488400 9.334700 8.808500 1.930400 7.433900 5.466000
10.865100 3.329700 3.973900 7.369500 5.420600 6.131700 6.593000 7.032900 7.242300 6.944500 6.168800
6.016700 5.705300 8.922600 9.525800 3.087400 2.592100 2.527400 2.845500 2.851000 2.974500 2.116500
3.415100 1.946500 2.775600 2.971600 3.049700 2.657100 2.035500 1.187700 -1.202300 -0.857400
-0.728700 -0.842700 -1.245800 -1.464000 -1.383300 -0.382600 -0.530600 -1.117800 -1.934700 -0.458500
-1.870600 -1.009600" z3="1.001300 0.201800 -0.877500 1.247200 2.069700 2.901200 -1.761000 -0.591200
-1.300200 1.861800 2.951900 3.918300 -1.999400 -1.327500 -2.583800 3.626700 1.671900 1.169500
-0.709700 2.703600 2.978100 2.600300 2.007700 1.687400 2.072500 1.769700 0.516900 -0.454800
-1.626600 -1.968200 -1.055000 0.181800 1.217800 2.419600 3.473400 4.654100 4.874200 3.948600
2.654500 0.870800 1.201800 0.872900 0.233800 -0.071900 0.236100 3.460300 1.255700 1.370800 -0.802700
2.930000 2.816300 1.032700 -0.298300 -2.440000 -2.954800 -1.259800 3.324400 5.484300 5.680700
3.970500 1.538700 0.062100 -0.146600 -0.668100 -0.614300 -1.056200 -0.945400 -0.650700 -0.639800
-0.605800 -0.613400 -0.618100 -0.660600 -0.743700 -1.928600 -3.171700 -4.390000 -4.497000 -3.345100
-2.037600 -0.886600 0.424200 1.651200 2.819800 2.869400 1.750200 0.468200 -0.947700 -1.001700
-1.036700 -1.026500 -0.951000 -0.918400 -0.593400 -0.755200 -1.026000 -1.776800 -0.783600 -0.534300
-0.654300 -3.159800 -5.030500 -5.342700 -3.410400 1.652900 3.748300 3.780800 1.820000 -0.939400
-1.067800 -0.950600 2.997500 1.286400 1.315200 -0.441400 2.189300 2.440800 2.128700 1.590800
1.339300 1.660000 1.468400 2.441000 3.729000 4.725300 4.575100 3.398300 2.286100 1.103600 -0.003400
-1.250600 -2.226000 -2.013900 -0.848100 0.214400 0.890800 1.234900 0.999400 0.462900 0.099500
0.319300 3.177200 1.537400 1.102100 -0.646900 2.508100 2.270800 1.013900 3.841100 5.462500 5.366700
3.292500 -1.470700 -3.182900 -2.808300 -0.706700 1.594700 0.321400 0.175700 -1.027700 -0.424200
-1.478900 -0.948700 -0.967600 -0.896500 -0.678800 -0.600000 -0.657700 -0.867900 -0.954200 0.240000
1.504700 2.612000 2.584500 1.410300 0.213800 -1.108400 -2.261700 -3.571100 -4.704800 -4.585200
-3.380300 -2.132200 -1.141500 -1.305600 -1.323500 -1.212800 -1.074500 -1.020700 -0.666300 -0.385000
-1.320600 -1.030900 -1.061100 -0.633200 -0.414000 1.612100 3.477200 3.514300 1.356600 -3.617100
-5.680700 -5.294700 -3.269000 -1.288200 -1.330500 -0.780800 -1.194900 -1.775500 -3.167400 -0.980000
0.443300 1.542000 -4.050000 -3.471400 -3.288100 0.600200 2.436900 1.427700 -3.971400 -4.986500
-3.797900 -2.651700 -1.603800 -1.678800 -2.908000 -4.111200 -3.890500 -2.546500 -0.900000 -0.777000
-2.892700 -4.569000 -4.885900 -4.585600 -4.725300" />

<cml:bondArray atomRef1="a1 a2 a2 a3 a3 a3 a4 a5 a5 a6 a6 a7 a7 a7 a16 a16 a17 a17 a18 a18 a19 a19
a20 a20 a20 a21 a22 a22 a23 a24 a24 a25 a26 a26 a27 a27 a28 a28 a29 a29 a30 a30 a31 a31 a32 a33 a33
a34 a34 a35 a35 a36 a36 a37 a37 a38 a38 a40 a40 a41 a41 a42 a43 a43 a44 a45 a64 a64 a65 a65 a66 a66
a67 a67 a68 a68 a68 a69 a70 a70 a71 a72 a72 a73 a74 a74 a75 a75 a76 a76 a77 a77 a78 a78 a79 a79 a80
a81 a81 a82 a82 a83 a83 a84 a84 a85 a85 a86 a86 a88 a88 a89 a89 a90 a91 a91 a92 a93 a112 a112 a113
a113 a114 a114 a115 a115 a116 a116 a116 a117 a118 a118 a119 a120 a120 a121 a122 a122 a123 a123 a124
a124 a125 a125 a126 a126 a127 a127 a128 a129 a129 a130 a130 a131 a131 a132 a132 a133 a133 a134 a134
a136 a136 a137 a137 a138 a139 a139 a140 a141 a160 a160 a161 a161 a162 a162 a163 a163 a164 a164 a164
a165 a166 a166 a167 a168 a168 a169 a170 a170 a171 a171 a172 a172 a173 a173 a174 a174 a175 a175 a176
a177 a177 a178 a178 a179 a179 a180 a180 a181 a181 a182 a182 a184 a184 a185 a185 a186 a187 a187 a188
a189 a208 a209 a209 a210 a210 a210 a211 a212 a212 a213 a213 a214 a214 a214 a223 a223 a223 a224 a224
a225 a225 a226 a226 a227 a227 a227 a228 a228" atomRef2="a4 a3 a4 a7 a8 a9 a5 a6 a10 a11 a12 a13 a14
a15 a21 a46 a23 a47 a42 a48 a44 a49 a21 a25 a50 a22 a23 a51 a24 a25 a52 a26 a27 a39 a28 a32 a29 a53
a30 a54 a31 a55 a32 a56 a33 a34 a40 a35 a39 a36 a57 a37 a58 a38 a59 a39 a60 a41 a45 a42 a61 a43 a44
a62 a45 a63 a69 a94 a71 a95 a90 a96 a92 a97 a69 a73 a98 a70 a71 a99 a72 a73 a100 a74 a75 a87 a76 a80
a77 a101 a78 a102 a79 a103 a80 a104 a81 a82 a88 a83 a87 a84 a105 a85 a106 a86 a107 a87 a108 a89 a93
a90 a109 a91 a92 a110 a93 a111 a117 a142 a119 a143 a138 a144 a140 a145 a117 a121 a146 a118 a119 a147
a120 a121 a148 a122 a123 a135 a124 a128 a125 a149 a126 a150 a127 a151 a128 a152 a129 a130 a136 a131
a135 a132 a153 a133 a154 a134 a155 a135 a156 a137 a141 a138 a157 a139 a140 a158 a141 a159 a165 a190
a167 a191 a186 a192 a188 a193 a165 a169 a194 a166 a167 a195 a168 a169 a196 a170 a171 a183 a172 a176
a173 a197 a174 a198 a175 a199 a176 a200 a177 a178 a184 a179 a183 a180 a201 a181 a202 a182 a203 a183
a204 a185 a189 a186 a205 a187 a188 a206 a189 a207 a211 a210 a211 a214 a215 a216 a212 a213 a217 a218
a219 a220 a221 a222 a224 a228 a229 a225 a230 a226 a231 a227 a232 a228 a233 a234 a235 a236" order="2
1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 1 1 1
2 1 1 1 2 1 2 1 1 1 2 1 1 2 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 1
1 1 2 1 1 1 2 1 2 1 1 1 2 1 1 2 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1
2 1 1 1 2 1 1 1 2 1 2 1 1 1 2 1 1 2 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2
1 1 2 1 1 1 2 1 1 1 2 1 2 1 1 1 2 1 1 2 1 2 1 1 1 1 1 1 2 1 1 1 1 1 1 2 1 1 1 1 2 1 1 1 1 1 1 1 1"
/> </cml:molecule> </item>

<item rdf:about="http://www.ligand.info/">
<link>http://www..ch.ic.ac.uk/local/it/</link>

<title>The 2005-2006 Course</title>

<description>The 2005-2006 Chemical Information Course</description>

<dc:subject>CIT</dc:subject>

<dc:date>2005-10-03T00:00:00-00:00</dc:date>

<dc:creator>Henry S. Rzepa</dc:creator>

</item>

<rdf:Description rdf:ID="manifest"> <mn:channels> <rdf:Seq> <rdf:li rdf:resource="http://" />
</rdf:Seq> </mn:channels> </rdf:Description> </rdf:RDF>