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diff CADDSuite/data/fragments/A.db @ 0:bac3c274238f

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Migrated tool version 0.93 from old tool shed archive to new tool shed repository
author marcel
date Tue, 07 Jun 2011 16:43:30 -0400
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--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/CADDSuite/data/fragments/A.db	Tue Jun 07 16:43:30 2011 -0400
@@ -0,0 +1,107 @@
+<node>A
+	<node>Names
+		<node>Adenine</node>
+		<node>Adenin</node>	 
+		<node>A</node>	 
+	</node>
+	<node>Atoms
+		<node>P<value>P 23.872 39.165 31.119</value></node>
+		<node>O1P<value>O 25.231 39.217 30.523</value></node> 
+		<node>O2P<value>O 22.847 40.110 30.636</value></node> 
+		<node>O5*<value>O 24.015 39.407 32.681</value></node> 
+		<node>C5*<value>C 23.898 38.444 33.717</value></node>
+		<node>1H5*<value>H 23.427 37.536 33.341</value></node> 
+		<node>2H5*<value>H 23.266 38.889 34.485</value></node>
+		<node>C4*<value>C 25.259 38.091 34.326</value></node>
+		<node>H4*<value>H 25.156 37.622 35.304</value></node> 
+		<node>O4*<value>O 25.979 37.144 33.552</value></node> 
+		<node>C3*<value>C 26.180 39.302 34.326</value></node>
+		<node>H3*<value>H 26.158 39.977 33.470</value></node>
+		<node>O3*<value>O 25.805 40.074 35.470</value></node>
+		<node>C2*<value>C 27.544 38.641 34.414</value></node>
+		<node>1H2*<value>H 28.301 39.314 34.011</value></node>
+		<node>2H2*<value>H 27.774 38.419 35.456</value></node>
+		<node>C1*<value>C 27.277 37.165 34.164</value></node> 
+		<node>H1*<value>H 27.382 36.562 35.066</value></node>
+		<node>N9<value>N 28.236 36.536 33.230</value></node>
+		<node>C8<value>C 28.440 36.783 31.901</value></node>
+		<node>H8<value>H 27.912 37.594 31.421</value></node>
+		<node>N7<value>N 29.329 36.020 31.347</value></node>
+		<node>C5<value>C 29.751 35.206 32.384</value></node>
+		<node>C6<value>C 30.698 34.181 32.452</value></node>
+		<node>N6<value>N 31.417 33.777 31.410</value></node>
+		<node>1H6<value>H 32.088 33.030 31.518</value></node>
+		<node>2H6<value>H 31.292 34.217 30.509</value></node>
+		<node>N1<value>N 30.867 33.595 33.636</value></node>
+		<node>C2<value>C 30.158 33.991 34.674</value></node>
+		<node>2H<value>H 30.296 33.518 35.635</value></node>
+		<node>N3<value>N 29.245 34.933 34.744</value></node>
+		<node>C4<value>C 29.090 35.512 33.538</value></node>
+	</node>
+	<node>Bonds
+		<node>1<value>P O1P s</value></node>
+		<node>2<value>P O2P d</value></node>
+		<node>3<value>P O5* s</value></node>		
+		<node>4<value>O5* C5* s</value></node>
+		<node>5<value>C5* C4* s</value></node>
+		<node>6<value>C4* O4* s</value></node>	
+		<node>7<value>C4* C3* s</value></node>
+		<node>8<value>C3* O3* s</value></node>
+		<node>9<value>C3* C2* s</value></node>
+		<node>10<value>C2* C1* s</value></node>
+		<node>11<value>C1* O4* s</value></node>
+		<node>12<value>C1* N9 s</value></node>
+		<node>13<value>N9 C8 s</value></node>
+		<node>14<value>C8 N7 d</value></node>
+		<node>15<value>N7 C5 s</value></node>
+		<node>16<value>C5 C6 s</value></node>
+		<node>17<value>C5 C4 d</value></node>
+		<node>18<value>C4 N9 s</value></node>
+		<node>19<value>C6 N6 s</value></node>
+		<node>20<value>C6 N1 d</value></node>
+		<node>21<value>N1 C2 s</value></node>
+		<node>22<value>C2 N3 d</value></node>
+		<node>23<value>N3 C4 s</value></node>
+		<node>24<value>C5* 1H5* s</value></node>
+		<node>25<value>C5* 2H5* s</value></node>
+		<node>26<value>C4* H4* s</value></node>
+		<node>27<value>C1* H1* s</value></node>
+		<node>28<value>C3* H3* s</value></node>
+		<node>29<value>C2* 1H2* s</value></node>
+    <node>30<value>C2* 2H2* s</value></node>
+		<node>31<value>C8 H8 s</value></node>
+		<node>32<value>N6 1H6 s</value></node>
+		<node>33<value>N6 2H6 s</value></node>
+		<node>34<value>C2 2H s</value></node>
+ 	</node>
+	<node>Connections
+		<node>5-term<value>P 3-term s 1.62 0.5</value></node>
+		<node>3-term<value>O3* 5-term s 1.62 0.5</value></node>
+	</node>
+	<node>Properties
+		<node>NUCLEOTIDE</node>
+	</node>
+	<node>Variants
+    		<node>A-M
+      			<node>Properties
+        			<node>5_PRIME</node>
+        			<node>3_PRIME</node>
+      			</node>
+    		</node>
+    		<node>Default
+      			<node>Properties
+      			</node>
+    		</node>
+    		<node>A-3
+      			<node>Properties
+        			<node>3_PRIME</node>
+      			</node>
+    		</node>
+    		<node>A-5
+      			<node>Properties
+        			<node>5_PRIME</node>
+      			</node>
+    		</node>
+ 	</node>
+</node>
+