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/test2.mol | 46 ---------------------------------------------- 1 file changed, 46 deletions(-) delete mode 100644 java/resources/test2.mol (limited to 'java/resources/test2.mol') diff --git a/java/resources/test2.mol b/java/resources/test2.mol deleted file mode 100644 index 1c08b41..0000000 --- a/java/resources/test2.mol +++ /dev/null @@ -1,46 +0,0 @@ - - TestMolecule 2 - - 16 18 0 0 0 0 0 0 0 0 1 V2000 - 5.8468 -3.5866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 4.5999 -2.9800 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 - 5.8468 -4.7659 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 - 8.3151 -4.7659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 7.0852 -2.9800 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 - 8.3151 -3.5866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 7.0852 -5.3472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 3.9851 -4.1679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 9.5535 -5.3472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 4.5999 -5.3472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 10.7919 -4.7659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 9.5535 -2.9800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 2.7467 -4.1679 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 - 10.7919 -3.5866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 9.5535 -6.5351 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 - 12.0388 -5.3472 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 - 2 1 1 0 0 0 0 - 3 1 1 0 0 0 0 - 4 7 1 0 0 0 0 - 5 1 2 0 0 0 0 - 6 5 1 0 0 0 0 - 7 3 1 0 0 0 0 - 8 2 1 0 0 0 0 - 9 4 1 0 0 0 0 - 10 3 1 0 0 0 0 - 11 9 2 0 0 0 0 - 12 6 1 0 0 0 0 - 13 8 2 0 0 0 0 - 14 12 2 0 0 0 0 - 15 9 1 0 0 0 0 - 16 11 1 0 0 0 0 - 8 10 1 0 0 0 0 - 6 4 2 0 0 0 0 - 14 11 1 0 0 0 0 -M END -> (1111) -1111 - -> (1111) -123 - -$$$$ -- cgit v1.2.3