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 --- .../6-iminocyclohexa-1,4-diene-1,3-diol.mol | 23 ---------------------- 1 file changed, 23 deletions(-) delete mode 100644 java/resources/smartsEvaluation/6-iminocyclohexa-1,4-diene-1,3-diol.mol (limited to 'java/resources/smartsEvaluation/6-iminocyclohexa-1,4-diene-1,3-diol.mol') diff --git a/java/resources/smartsEvaluation/6-iminocyclohexa-1,4-diene-1,3-diol.mol b/java/resources/smartsEvaluation/6-iminocyclohexa-1,4-diene-1,3-diol.mol deleted file mode 100644 index 6f6efa2..0000000 --- a/java/resources/smartsEvaluation/6-iminocyclohexa-1,4-diene-1,3-diol.mol +++ /dev/null @@ -1,23 +0,0 @@ -6-iminocyclohexa-1,4-diene-1,3-diol - -ISIS- 2D -Used JOELib chemistry kernel (expert systems) ID is 715333816 - 9 9 0 0 0 0 0 0 0 0 1 V2000 - 16.6868 -5.8657 -0.4523 C 0 0 0 0 0 0 0 0 0 0 0 0 - 16.8457 -4.6103 -0.4926 C 0 0 0 0 0 0 0 0 0 0 0 0 - 15.4075 -6.0656 -0.2358 N 0 0 0 0 0 0 0 0 0 0 0 0 - 15.8127 -3.6875 -0.3296 O 0 0 0 0 0 0 0 0 0 0 0 0 - 17.8498 -4.2016 -0.6653 C 0 0 0 0 0 0 0 0 0 0 0 0 - 18.6496 -5.1278 -0.7891 C 0 0 0 0 0 0 0 0 0 0 0 0 - 18.4670 -6.3600 -0.7451 C 0 0 0 0 0 0 0 0 0 0 0 0 - 17.3888 -6.9904 -0.5576 C 0 0 0 0 0 0 0 0 0 0 0 0 - 20.3679 -6.8545 -1.6433 O 0 0 0 0 0 0 0 0 0 0 0 0 - 2 1 1 0 0 0 0 - 3 1 2 0 0 0 0 - 4 2 1 0 0 0 0 - 5 2 2 0 0 0 0 - 6 5 1 0 0 0 0 - 7 6 1 0 0 0 0 - 8 7 2 0 0 0 0 - 8 1 1 0 0 0 0 - 9 6 1 0 0 0 0 -M END -- cgit v1.2.3