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_2.mol | 36 ------------------------------ 1 file changed, 36 deletions(-) delete mode 100644 java/resources/smartsEvaluation/TEST_2.mol (limited to 'java/resources/smartsEvaluation/TEST_2.mol') diff --git a/java/resources/smartsEvaluation/TEST_2.mol b/java/resources/smartsEvaluation/TEST_2.mol deleted file mode 100644 index b4f0bb5..0000000 --- a/java/resources/smartsEvaluation/TEST_2.mol +++ /dev/null @@ -1,36 +0,0 @@ -TEST_2 - -ISIS- 2D -Used JOELib chemistry kernel (expert systems) ID is 715333816 - 15 16 0 0 0 0 0 0 0 0999V2000 - 14.0242 -6.4270 0.0000 P 0 0 0 1 0 0 1 0 0 0 0 0 - 14.0242 -5.1384 0.0000 O 0 0 0 1 0 0 1 0 0 0 0 0 - 12.7356 -6.4270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 - 14.0242 -7.7156 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 - 15.3129 -6.4270 0.0000 C 0 0 0 1 0 0 1 0 0 0 0 0 - 15.9572 -5.3110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 15.9572 -7.5430 0.0000 C 0 0 0 1 0 0 1 0 0 0 0 0 - 17.2458 -5.3110 0.0000 C 0 0 0 1 0 0 1 0 0 0 0 0 - 15.3129 -8.6590 0.0000 O 0 0 0 1 0 0 1 0 0 0 0 0 - 17.2458 -7.5430 0.0000 O 0 0 0 1 0 0 1 0 0 0 0 0 - 17.8901 -6.4270 0.0000 C 0 0 0 1 0 0 1 0 0 0 0 0 - 17.8901 -4.1950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 19.1788 -6.4270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 19.1788 -4.1950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 19.8231 -5.3110 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 - 1 4 1 0 0 0 0 - 1 5 1 0 0 0 0 - 5 6 2 0 0 0 0 - 5 7 1 0 0 0 0 - 6 8 1 0 0 0 0 - 7 9 2 0 0 0 0 - 7 10 1 0 0 0 0 - 8 11 2 0 0 0 0 - 8 12 1 0 0 0 0 - 10 11 1 0 0 0 0 - 11 13 1 0 0 0 0 - 12 14 2 0 0 0 0 - 13 15 2 0 0 0 0 - 14 15 1 0 0 0 0 -M END -- cgit v1.2.3