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/test3.mol | 66 ------------------------------------------------ 1 file changed, 66 deletions(-) delete mode 100644 java/resources/test3.mol (limited to 'java/resources/test3.mol') diff --git a/java/resources/test3.mol b/java/resources/test3.mol deleted file mode 100644 index 9a68bc6..0000000 --- a/java/resources/test3.mol +++ /dev/null @@ -1,66 +0,0 @@ - - TestMolecule 3 - - 26 27 0 0 0 0 0 0 0 0 1 V2000 - 8.0184 -7.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 9.2232 -7.5650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 6.8059 -7.5650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 8.0184 -4.7206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 10.4585 -7.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 5.5858 -7.0083 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 - 6.8059 -4.1181 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 - 9.2232 -8.7240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 5.5858 -5.8568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 4.3810 -7.5650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 5.5858 -4.7206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 6.8059 -2.9514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 10.4585 -5.8568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 11.6481 -7.5650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 10.4585 -9.3111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 8.0184 -9.3111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 4.3810 -5.2620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 3.1837 -7.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 4.3810 -4.1181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 8.0184 -2.4024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 11.6481 -5.2620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 12.8759 -7.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 10.4585 -10.4627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 8.0184 -10.4627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 12.8759 -5.8568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 9.2232 -11.0423 0.0000 C 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 1 1 0 0 0 0 - 5 2 1 0 0 0 0 - 6 3 1 0 0 0 0 - 7 4 1 0 0 0 0 - 8 2 1 0 0 0 0 - 9 6 1 0 0 0 0 - 10 6 1 0 0 0 0 - 11 7 1 0 0 0 0 - 12 7 1 0 0 0 0 - 13 5 2 0 0 0 0 - 14 5 1 0 0 0 0 - 15 8 1 0 0 0 0 - 16 8 1 0 0 0 0 - 17 9 1 0 0 0 0 - 18 10 1 0 0 0 0 - 19 11 1 0 0 0 0 - 20 12 1 0 0 0 0 - 21 13 1 0 0 0 0 - 22 14 2 0 0 0 0 - 23 15 1 0 0 0 0 - 24 16 1 0 0 0 0 - 25 22 1 0 0 0 0 - 26 24 1 0 0 0 0 - 26 23 1 0 0 0 0 - 25 21 2 0 0 0 0 -M END -> (1111) -1111 - -> (1111) -123 - -$$$$ - -- cgit v1.2.3