diff CADDSuite-1.6/data/fragments/ACE.db @ 10:eda78e0f5df6 draft default tip

Deleted selected files
author marcel
date Sun, 30 Nov 2014 03:46:08 -0500
parents 488032d372e1
children
line wrap: on
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--- a/CADDSuite-1.6/data/fragments/ACE.db	Sat Dec 15 13:16:40 2012 -0500
+++ /dev/null	Thu Jan 01 00:00:00 1970 +0000
@@ -1,47 +0,0 @@
-<node>ACE
-	<node>Names
-		<node>ACE</node>
-		<node>acetic acid</node>
-	</node>
-	<node>Atoms
-		<node>C<value>C -0.710977 -1.12008 0.000774821</value></node>
-		<node>CH3<value>C 0.0997794 -2.40762 0.00202052</value></node>
-		<node>O<value>O -1.92224 -1.17518 0.00112378</value></node>
-		<node>1HH3<value>H -0.167239 -2.98461 0.880642</value></node>
-		<node>2HH3<value>H 1.1711 -2.24422 -0.00400307</value></node>
-		<node>3HH3<value>H -0.176322 -2.99236 -0.868617</value></node>
-		<node>OXT<value>O -0.0809243 0.0851695 -0.000720861</value></node>
-	</node>
-	<node>Bonds
-		<node>1<value>C CH3 s</value></node>
-		<node>2<value>C O d</value></node>
-		<node>3<value>C OXT s</value></node>
-		<node>4<value>CH3 1HH3 s</value></node>
-		<node>5<value>CH3 2HH3 s</value></node>
-		<node>6<value>CH3 3HH3 s</value></node>
-	</node>
-	<node>Connections
-		<node>C-term
-			<value>C N-term s 1.33 0.5
-			</value>
-		</node>
-	</node>
-	<node>Properties
-	</node>
-	<node>Variants
-		<node>ACE-N
-			<node>Delete
-				<node>OXT</node>
-			</node>
-			<node>Properties
-				<node>N_TERMINAL</node>
-			</node>
-		</node>
-    <node>ACE-M
-      <node>Properties
-        <node>C_TERMINAL</node>
-        <node>N_TERMINAL</node>
-      </node>
-    </node>
-	</node>
-</node>