From: <raj...@us...> - 2007-07-26 18:21:17
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Revision: 8597 http://cdk.svn.sourceforge.net/cdk/?rev=8597&view=rev Author: rajarshi Date: 2007-07-26 11:21:08 -0700 (Thu, 26 Jul 2007) Log Message: ----------- Added a test file for pharmacophore matching Added Paths: ----------- trunk/cdk/src/data/mdl/pcoretest1.sdf Added: trunk/cdk/src/data/mdl/pcoretest1.sdf =================================================================== --- trunk/cdk/src/data/mdl/pcoretest1.sdf (rev 0) +++ trunk/cdk/src/data/mdl/pcoretest1.sdf 2007-07-26 18:21:08 UTC (rev 8597) @@ -0,0 +1,11700 @@ +test1 + -OEChem-07250712053D + + 55 56 0 1 0 0 0 0 0999 V2000 + -1.3731 -4.5870 -1.4907 C 0 0 0 0 0 0 0 0 0 0 0 0 + -0.2407 -4.5899 -2.3051 C 0 0 0 0 0 0 0 0 0 0 0 0 + -1.7376 -3.4269 -0.8072 C 0 0 0 0 0 0 0 0 0 0 0 0 + 10.4485 -0.1756 -2.0369 C 0 0 0 0 0 0 0 0 0 0 0 0 + 10.5630 -1.4900 -1.5843 C 0 0 0 0 0 0 0 0 0 0 0 0 + 0.5273 -3.4328 -2.4359 C 0 0 0 0 0 0 0 0 0 0 0 0 + -0.9697 -2.2699 -0.9380 C 0 0 0 0 0 0 0 0 0 0 0 0 + 9.2095 0.4648 -2.0130 C 0 0 0 0 0 0 0 0 0 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