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/phenol.mol | 19 ------------------- 1 file changed, 19 deletions(-) delete mode 100644 java/resources/smartsEvaluation/phenol.mol (limited to 'java/resources/smartsEvaluation/phenol.mol') diff --git a/java/resources/smartsEvaluation/phenol.mol b/java/resources/smartsEvaluation/phenol.mol deleted file mode 100644 index 7dbb177..0000000 --- a/java/resources/smartsEvaluation/phenol.mol +++ /dev/null @@ -1,19 +0,0 @@ -phenol - -ISIS- 2D -Used JOELib chemistry kernel (expert systems) ID is 715333816 - 7 7 0 0 0 0 0 0 0 0 1 V2000 - 6.5867 -6.5867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 6.5867 -8.9807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 7.4860 -5.0920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 9.8800 -6.2827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 9.8800 -8.6767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 8.9807 -10.4753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 9.2720 -12.8693 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 - 2 1 2 0 0 0 0 - 3 1 1 0 0 0 0 - 4 3 2 0 0 0 0 - 5 4 1 0 0 0 0 - 6 5 2 0 0 0 0 - 2 6 1 0 0 0 0 - 7 6 1 0 0 0 0 -M END -- cgit v1.2.3