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/ab_unsat_carbonyl_h.mol | 32 ---------------------- 1 file changed, 32 deletions(-) delete mode 100644 java/resources/smartsEvaluation/ab_unsat_carbonyl_h.mol (limited to 'java/resources/smartsEvaluation/ab_unsat_carbonyl_h.mol') diff --git a/java/resources/smartsEvaluation/ab_unsat_carbonyl_h.mol b/java/resources/smartsEvaluation/ab_unsat_carbonyl_h.mol deleted file mode 100644 index 05db536..0000000 --- a/java/resources/smartsEvaluation/ab_unsat_carbonyl_h.mol +++ /dev/null @@ -1,32 +0,0 @@ -ab_unsat_carbonyl_h - -ISIS- 2D -Used JOELib chemistry kernel (expert systems) ID is 715333816 - 14 13 0 0 0 0 0 0 0 0 1 V2000 - 15.0105 -5.3202 0.2014 C 0 0 0 0 0 0 0 0 0 0 0 0 - 16.1808 -4.7218 0.4759 C 0 0 0 0 0 0 0 0 0 0 0 0 - 16.2843 -3.2566 0.5938 C 0 0 0 0 0 0 0 0 0 0 0 0 - 15.2980 -2.5681 0.4621 O 0 0 0 0 0 0 0 0 0 0 0 0 - 17.6207 -2.6145 0.8782 C 0 0 0 0 0 0 0 0 0 0 0 0 - 13.7424 -4.5178 -0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 15.0800 -6.3164 0.1494 H 0 0 0 0 0 0 0 0 0 0 0 0 - 16.9519 -5.3483 0.5892 H 0 0 0 0 0 0 0 0 0 0 0 0 - 17.7554 -2.5498 1.8670 H 0 0 0 0 0 0 0 0 0 0 0 0 - 17.6417 -1.6981 0.4783 H 0 0 0 0 0 0 0 0 0 0 0 0 - 18.3492 -3.1709 0.4783 H 0 0 0 0 0 0 0 0 0 0 0 0 - 13.3575 -4.2743 0.8903 H 0 0 0 0 0 0 0 0 0 0 0 0 - 13.0796 -5.0652 -0.5111 H 0 0 0 0 0 0 0 0 0 0 0 0 - 13.9533 -3.6845 -0.5111 H 0 0 0 0 0 0 0 0 0 0 0 0 - 1 2 2 0 0 0 0 - 1 6 1 0 0 0 0 - 2 3 1 0 0 0 0 - 3 5 1 0 0 0 0 - 3 4 2 0 0 0 0 - 7 1 1 0 0 0 0 - 8 2 1 0 0 0 0 - 9 5 1 0 0 0 0 - 10 5 1 0 0 0 0 - 11 5 1 0 0 0 0 - 12 6 1 0 0 0 0 - 13 6 1 0 0 0 0 - 14 6 1 0 0 0 0 -M END -- cgit v1.2.3