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petermr  committed 3e240ec

more pom debugging

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  • Parent commits a683af1

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Files changed (2)

 
     <parent>
         <groupId>cml</groupId>
-        <artifactId>jumbo-converters</artifactId>
+        <artifactId>jumboconverters2-parent</artifactId>
         <version>0.3-SNAPSHOT</version>
     </parent>
 
    <artifactId>jc-reaction</artifactId>
    <name>jc-reaction</name>
 
+	<repositories>
+	  <repository>
+	    <id>ucc-repo</id>
+	    <url>http://maven.ch.cam.ac.uk/m2repo</url>
+	  </repository>
+	</repositories>
+	
    <dependencies>
         <dependency>
             <groupId>${jumbo.groupId}</groupId>

File src/test/resources/org/xmlcml/cml/converters/reaction/mdl/Enolate.rxn

+$RXN
+
+  Marvin       052701051224
+
+  2  2
+$MOL
+
+  Marvin  05270512242D
+
+  4  3  0  0  0  0            999 V2000
+  -11.2812   11.7813    0.0000 O   0  0  0  0  0  0  0  0  0  1  0  0
+  -11.2812   10.9563    0.0000 C   0  0  0  0  0  0  0  0  0  2  0  0
+  -10.6562   10.4062    0.0000 C   0  0  0  0  0  0  0  0  0  3  0  0
+  -10.6562    9.5812    0.0000 C   0  0  0  0  0  0  0  0  0  6  0  0
+  1  2  2  0  0  0  0
+  2  3  1  0  0  0  0
+  3  4  1  0  0  0  0
+M  END
+$MOL
+
+  Marvin  05270512242D
+
+  2  1  1  0  0  0            999 V2000
+   -8.2500   11.2188    0.0000 C   0  0  0  0  0  0  0  0  0  4  0  0
+   -6.4687   11.2500    0.0000 L   0  0  0  0  0  0  0  0  0  5  0  0
+  1  2  1  0  0  0  0
+  2 F    4   9  17  35  53
+M  ALS   2  4 F F   Cl  Br  I   
+M  END
+$MOL
+
+  Marvin  05270512242D
+
+  5  4  0  0  0  0            999 V2000
+    0.4062   11.9688    0.0000 O   0  0  0  0  0  0  0  0  0  1  0  0
+    0.4062   11.1438    0.0000 C   0  0  0  0  0  0  0  0  0  2  0  0
+    1.1207    9.9063    0.0000 C   0  0  0  0  0  0  0  0  0  6  0  0
+    1.1207   10.7313    0.0000 C   0  0  0  0  0  0  0  0  0  3  2  0
+    1.7041   11.3147    0.0000 C   0  0  0  0  0  0  0  0  0  4  0  0
+  1  2  2  0  0  0  0
+  2  4  1  0  0  0  0
+  4  3  1  0  0  0  0
+  4  5  1  4  0  0  0
+M  END
+$MOL
+
+  Marvin  05270512242D
+
+  1  0  1  0  0  0            999 V2000
+    5.6250   11.6250    0.0000 L   0  0  0  0  0  0  0  0  0  5  0  0
+  1 F    4   9  17  35  53
+M  ALS   1  4 F F   Cl  Br  I   
+M  END