From: <tho...@us...> - 2007-07-11 07:02:25
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Revision: 8533 http://svn.sourceforge.net/cdk/?rev=8533&view=rev Author: thomaskuhn Date: 2007-07-11 00:02:22 -0700 (Wed, 11 Jul 2007) Log Message: ----------- Added the testfile for the SDG bug 1750968 Added Paths: ----------- trunk/cdk/src/data/mdl/bug_1750968.mol Added: trunk/cdk/src/data/mdl/bug_1750968.mol =================================================================== --- trunk/cdk/src/data/mdl/bug_1750968.mol (rev 0) +++ trunk/cdk/src/data/mdl/bug_1750968.mol 2007-07-11 07:02:22 UTC (rev 8533) @@ -0,0 +1,68 @@ + + CDK 7/6/07,11:42 + + 30 33 0 0 0 0 0 0 0 0999 V2000 + -4.0738 -0.7805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -4.2305 -2.2723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -3.0170 -3.1539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -1.6467 -2.5438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -1.4899 -1.0520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -2.7034 -0.1704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -0.4332 -3.4255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -0.5900 -4.9173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 1.0087 -3.8390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 0.2244 -2.0773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 0.0000 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -1.2990 2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -2.5981 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -2.5981 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -1.2990 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 1.2990 -0.7500 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 + -2.7990 2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -4.2663 2.5619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -5.0163 1.2628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -4.0126 0.1481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -2.6422 0.7582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -3.5239 2.5283 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 + -5.0157 2.6851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -5.8974 1.4715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -5.2873 0.1012 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 + -3.7955 -0.0556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -2.9138 1.1579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -2.6422 3.7418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -2.1047 5.1422 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 4 5 1 0 0 0 0 + 2 3 1 0 0 0 0 + 5 6 2 0 0 0 0 + 6 1 1 0 0 0 0 + 4 7 1 0 0 0 0 + 7 8 1 0 0 0 0 + 1 2 2 0 0 0 0 + 7 9 1 0 0 0 0 + 3 4 2 0 0 0 0 + 7 10 1 0 0 0 0 + 13 14 2 0 0 0 0 + 12 18 1 0 0 0 0 + 18 19 1 0 0 0 0 + 14 15 1 0 0 0 0 + 12 13 1 0 0 0 0 + 15 16 2 0 0 0 0 + 19 20 1 0 0 0 0 + 20 21 1 0 0 0 0 + 21 22 1 0 0 0 0 + 22 18 1 0 0 0 0 + 16 11 1 0 0 0 0 + 11 12 2 0 0 0 0 + 16 17 1 0 0 0 0 + 23 24 1 0 0 0 0 + 23 28 1 0 0 0 0 + 24 25 1 0 0 0 0 + 25 26 1 0 0 0 0 + 26 27 1 0 0 0 0 + 27 28 1 0 0 0 0 + 29 23 1 0 0 0 0 + 29 30 2 0 0 0 0 + 18 29 1 0 0 0 0 + 1 26 1 0 0 0 0 +M END This was sent by the SourceForge.net collaborative development platform, the world's largest Open Source development site. |