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 --- .../smartsEvaluation/2H-chromen-2-one.mol | 28 ---------------------- 1 file changed, 28 deletions(-) delete mode 100644 java/resources/smartsEvaluation/2H-chromen-2-one.mol (limited to 'java/resources/smartsEvaluation/2H-chromen-2-one.mol') diff --git a/java/resources/smartsEvaluation/2H-chromen-2-one.mol b/java/resources/smartsEvaluation/2H-chromen-2-one.mol deleted file mode 100644 index 5043954..0000000 --- a/java/resources/smartsEvaluation/2H-chromen-2-one.mol +++ /dev/null @@ -1,28 +0,0 @@ -2H-chromen-2-one - -ISIS- 2D -Used JOELib chemistry kernel (expert systems) ID is 715333816 - 11 12 0 0 0 0 0 0 0 0 1 V2000 - 15.3484 -4.8980 0.0000 C 0 0 0 1 0 0 1 0 0 0 0 0 - 16.0134 -3.7462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 16.0134 -6.0498 0.0000 C 0 0 0 1 0 0 1 0 0 0 0 0 - 17.3434 -3.7462 0.0000 C 0 0 0 1 0 0 1 0 0 0 0 0 - 15.3484 -7.2016 0.0000 O 0 0 0 1 0 0 1 0 0 0 0 0 - 17.3434 -6.0498 0.0000 O 0 0 0 1 0 0 1 0 0 0 0 0 - 18.0084 -4.8980 0.0000 C 0 0 0 1 0 0 1 0 0 0 0 0 - 18.0084 -2.5943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 19.3384 -4.8980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 19.3384 -2.5943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 20.0034 -3.7462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 1 2 2 0 0 0 0 - 1 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 2 0 0 0 0 - 4 8 1 0 0 0 0 - 6 7 1 0 0 0 0 - 7 9 1 0 0 0 0 - 8 10 2 0 0 0 0 - 9 11 2 0 0 0 0 - 10 11 1 0 0 0 0 -M END -- cgit v1.2.3