diff CADDSuite/data/fragments/U.db @ 3:bb26168c5715

Uploaded
author marcel
date Tue, 12 Jul 2011 10:53:07 -0400
parents 8ce0411aaeb3
children
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--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/CADDSuite/data/fragments/U.db	Tue Jul 12 10:53:07 2011 -0400
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+<node>U
+	<node>Names
+		<node>Uracil</node>
+		<node>U</node> 
+	</node>
+	<node>Atoms
+		<node>P<value>P 38.566 27.407 37.821</value></node>
+		<node>O1P<value>O 38.595 26.254 36.889</value></node>
+		<node>O2P<value>O 39.157 27.302 39.179</value></node>
+		<node>O5*<value>O 37.072 27.912 37.957</value></node>
+		<node>C5*<value>C 36.632 28.815 38.965</value></node>
+		<node>1H5*<value>H 37.233 29.724 38.959</value></node>
+		<node>2H5*<value>H 36.702 28.339 39.943</value></node>
+		<node>C4*<value>C 35.191 29.171 38.689</value></node>
+		<node>H4*<value>H 34.765 29.830 39.445</value></node>
+		<node>O4*<value>O 35.114 29.926 37.469</value></node>
+		<node>C3*<value>C 34.331 27.906 38.457</value></node>
+		<node>H3*<value>H 34.825 26.944 38.594</value></node>
+		<node>O3*<value>O 33.163 27.975 39.270</value></node>
+		<node>C2*<value>C 33.920 28.064 36.992</value></node>
+		<node>1H2*<value>H 34.360 27.260 36.402</value></node>
+		<node>2H2*<value>H 32.834 28.020 36.912</value></node>
+		<node>C1*<value>C 33.860 29.573 36.906</value></node>
+		<node>H1*<value>H 33.070 30.098 37.443</value></node>
+		<node>N1<value>N 33.730 30.096 35.526</value></node>
+		<node>C6<value>C 34.405 29.543 34.472</value></node>
+		<node>H6<value>H 35.056 28.699 34.642</value></node>
+		<node>C5<value>C 34.237 29.984 33.219</value></node>
+		<node>H5<value>H 35.018 29.323 32.073</value></node>
+		<node>C4<value>C 33.326 31.071 32.932</value></node>
+		<node>O4<value>O 33.094 31.529 31.816</value></node>
+		<node>N3<value>N 32.681 31.586 34.053</value></node>
+		<node>H3<value>H 31.993 32.416 33.893</value></node>
+		<node>C2<value>C 32.839 31.151 35.352</value></node>
+		<node>O2<value>O 32.225 31.690 36.276</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* N1 s</value></node>
+		<node>13<value>N1 C6 s</value></node>
+		<node>14<value>C6 C5 d</value></node>
+		<node>15<value>C5 H5 s</value></node>
+		<node>16<value>C5 C4 s</value></node>
+		<node>17<value>C4 O4 d</value></node>
+		<node>18<value>C4 N3 s</value></node>
+		<node>19<value>N3 C2 s</value></node>
+		<node>20<value>C2 O2 d</value></node>
+		<node>21<value>C2 N1 s</value></node>
+		<node>22<value>C5* 1H5* s</value></node>
+		<node>23<value>C5* 2H5* s</value></node>
+		<node>24<value>C4* H4* s</value></node>
+		<node>25<value>C1* H1* s</value></node>
+		<node>26<value>C3* H3* s</value></node>
+		<node>27<value>C2* 1H2* s</value></node>
+	        <node>28<value>C2* 2H2* s</value></node>
+		<node>29<value>C6 H6 s</value></node>
+		<node>30<value>N3 H3 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>U-M
+      			<node>Properties
+        			<node>5_PRIME</node>
+        			<node>3_PRIME</node>
+      			</node>
+    		</node>
+    		<node>Default
+      			<node>Properties
+      			</node>
+    		</node>
+    		<node>U-3
+      			<node>Properties
+        			<node>3_PRIME</node>
+      			</node>
+    		</node>
+    		<node>U-5
+      			<node>Properties
+        			<node>5_PRIME</node>
+      			</node>
+    		</node>
+  	</node>
+</node>
+