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/2-phenylnaphtho-oxazole.mol | 46 ---------------------- 1 file changed, 46 deletions(-) delete mode 100644 java/resources/smartsEvaluation/2-phenylnaphtho-oxazole.mol (limited to 'java/resources/smartsEvaluation/2-phenylnaphtho-oxazole.mol') diff --git a/java/resources/smartsEvaluation/2-phenylnaphtho-oxazole.mol b/java/resources/smartsEvaluation/2-phenylnaphtho-oxazole.mol deleted file mode 100644 index 0aca844..0000000 --- a/java/resources/smartsEvaluation/2-phenylnaphtho-oxazole.mol +++ /dev/null @@ -1,46 +0,0 @@ -2-phenylnaphtho[1,2-d][1,3]oxazole - -ISIS- 2D -Used JOELib chemistry kernel (expert systems) ID is 715333816 - 19 22 0 0 0 0 0 0 0 0 1 V2000 - 27.8297 -11.1277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 27.8297 -12.5046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 26.6372 -13.1931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 25.4448 -12.5046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 25.4448 -11.1277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 26.6372 -10.4392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 24.2523 -13.1931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 22.9943 -12.6330 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 - 22.0730 -13.6563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 22.7615 -14.8488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 22.0730 -16.0413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 20.6960 -16.0413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 20.0075 -14.8488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 18.6306 -14.8488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 17.9421 -13.6563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 18.6306 -12.4638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 20.0075 -12.4638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 20.6960 -13.6563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 24.1083 -14.5625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 - 1 6 2 0 0 0 0 - 1 2 1 0 0 0 0 - 2 3 2 0 0 0 0 - 3 4 1 0 0 0 0 - 4 5 2 0 0 0 0 - 4 7 1 0 0 0 0 - 5 6 1 0 0 0 0 - 7 8 2 0 0 0 0 - 7 19 1 0 0 0 0 - 8 9 1 0 0 0 0 - 9 10 2 0 0 0 0 - 9 18 1 0 0 0 0 - 10 11 1 0 0 0 0 - 10 19 1 0 0 0 0 - 11 12 2 0 0 0 0 - 12 13 1 0 0 0 0 - 13 14 2 0 0 0 0 - 13 18 1 0 0 0 0 - 14 15 1 0 0 0 0 - 15 16 2 0 0 0 0 - 16 17 1 0 0 0 0 - 17 18 2 0 0 0 0 -M END -- cgit v1.2.3