From 3cd136861c68b8c24cc653c903c620d55be4b294 Mon Sep 17 00:00:00 2001 From: Andreas Maunz Date: Mon, 2 Apr 2012 09:18:14 +0200 Subject: Remove PC descriptor --- java/resources/smartsEvaluation/TEST_3.mol | 41 ------------------------------ 1 file changed, 41 deletions(-) delete mode 100644 java/resources/smartsEvaluation/TEST_3.mol (limited to 'java/resources/smartsEvaluation/TEST_3.mol') diff --git a/java/resources/smartsEvaluation/TEST_3.mol b/java/resources/smartsEvaluation/TEST_3.mol deleted file mode 100644 index 8ae9ba8..0000000 --- a/java/resources/smartsEvaluation/TEST_3.mol +++ /dev/null @@ -1,41 +0,0 @@ -TEST_3 - -ISIS- 2D -Used JOELib chemistry kernel (expert systems) ID is 715333816 - 17 19 0 0 0 0 0 0 0 0999V2000 - 0.0021 -0.0041 0.0000 O 0 0 0 1 0 0 0 0 0 0 0 0 - -0.0144 1.2129 0.0000 C 0 0 0 1 0 0 0 0 0 0 0 0 - 1.2363 1.9914 0.0000 C 0 0 0 1 0 0 0 0 0 0 0 0 - -1.1838 1.8973 0.0000 O 0 0 0 1 0 0 0 0 0 0 0 0 - 1.1895 3.2632 0.0000 C 0 0 0 2 0 0 0 0 0 0 0 0 - 2.4979 1.4237 0.0000 C 0 0 0 1 0 0 0 0 0 0 0 0 - -1.2660 3.0272 0.0000 C 0 0 0 1 0 0 0 0 0 0 0 0 - -0.0979 3.7491 0.0000 C 0 0 0 1 0 0 0 0 0 0 0 0 - 2.6117 1.1165 0.0000 C 0 0 0 2 0 0 0 0 0 0 0 0 - 3.5742 1.1891 0.0000 C 0 0 0 2 0 0 0 0 0 0 0 0 - -2.4855 3.4804 0.0000 C 0 0 0 2 0 0 0 0 0 0 0 0 - -0.1779 4.9167 0.0000 C 0 0 0 2 0 0 0 0 0 0 0 0 - 3.7890 0.5876 0.0000 C 0 0 0 2 0 0 0 0 0 0 0 0 - 4.7464 0.6598 0.0000 C 0 0 0 2 0 0 0 0 0 0 0 0 - -2.5381 4.6346 0.0000 C 0 0 0 2 0 0 0 0 0 0 0 0 - -1.3930 5.3460 0.0000 C 0 0 0 2 0 0 0 0 0 0 0 0 - 4.8552 0.3624 0.0000 C 0 0 0 2 0 0 0 0 0 0 0 0 - 1 2 2 0 0 0 0 - 2 3 1 0 0 0 0 - 2 4 1 0 0 0 0 - 3 5 2 0 0 0 0 - 3 6 1 0 0 0 0 - 4 7 1 0 0 0 0 - 5 8 1 0 0 0 0 - 6 9 4 0 0 0 0 - 6 10 4 0 0 0 0 - 7 11 4 0 0 0 0 - 7 8 4 0 0 0 0 - 8 12 4 0 0 0 0 - 9 13 4 0 0 0 0 - 10 14 4 0 0 0 0 - 11 15 4 0 0 0 0 - 12 16 4 0 0 0 0 - 13 17 4 0 0 0 0 - 14 17 4 0 0 0 0 - 15 16 4 0 0 0 0 -M END -- cgit v1.2.3