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/4-chlorpyrimidin_h.mol | 25 ---------------------- 1 file changed, 25 deletions(-) delete mode 100644 java/resources/smartsEvaluation/4-chlorpyrimidin_h.mol (limited to 'java/resources/smartsEvaluation/4-chlorpyrimidin_h.mol') diff --git a/java/resources/smartsEvaluation/4-chlorpyrimidin_h.mol b/java/resources/smartsEvaluation/4-chlorpyrimidin_h.mol deleted file mode 100644 index 2473f33..0000000 --- a/java/resources/smartsEvaluation/4-chlorpyrimidin_h.mol +++ /dev/null @@ -1,25 +0,0 @@ -4-chlorpyrimidin_h - -ISIS- 2D -Used JOELib chemistry kernel (expert systems) ID is 715333816 - 10 10 0 0 0 0 0 0 0 0 1 V2000 - 14.5058 -5.0464 0.3676 C 0 0 0 0 0 0 0 0 0 0 0 0 - 14.5546 -6.4262 0.3240 C 0 0 0 0 0 0 0 0 0 0 0 0 - 15.6762 -4.3264 0.2263 C 0 0 0 0 0 0 0 0 0 0 0 0 - 16.8812 -4.9799 0.0436 N 0 0 0 0 0 0 0 0 0 0 0 0 - 16.9301 -6.3597 -0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 15.7596 -7.0792 0.1412 N 0 0 0 0 0 0 0 0 0 0 0 0 - 15.6340 -2.6078 0.2781 Cl 0 0 0 0 0 0 0 0 0 0 0 0 - 13.6340 -4.5747 0.4998 H 0 0 0 0 0 0 0 0 0 0 0 0 - 13.7123 -6.9556 0.4253 O 0 0 0 0 0 0 0 0 0 0 0 0 - 17.8018 -6.8316 -0.1321 H 0 0 0 0 0 0 0 0 0 0 0 0 - 2 1 2 0 0 0 0 - 3 1 1 0 0 0 0 - 4 3 2 0 0 0 0 - 5 4 1 0 0 0 0 - 6 5 2 0 0 0 0 - 6 2 1 0 0 0 0 - 7 3 1 0 0 0 0 - 8 1 1 0 0 0 0 - 9 2 1 0 0 0 0 - 10 5 1 0 0 0 0 -M END -- cgit v1.2.3