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/di_halogen_ethyl.mol | 42 ---------------------- 1 file changed, 42 deletions(-) delete mode 100644 java/resources/smartsEvaluation/di_halogen_ethyl.mol (limited to 'java/resources/smartsEvaluation/di_halogen_ethyl.mol') diff --git a/java/resources/smartsEvaluation/di_halogen_ethyl.mol b/java/resources/smartsEvaluation/di_halogen_ethyl.mol deleted file mode 100644 index 3bee9c2..0000000 --- a/java/resources/smartsEvaluation/di_halogen_ethyl.mol +++ /dev/null @@ -1,42 +0,0 @@ -di_halogen_ethyl - -ISIS- 2D -Used JOELib chemistry kernel (expert systems) ID is 715333816 - 19 18 0 0 0 0 0 0 0 0 1 V2000 - 6.2827 -8.6767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 8.3727 -9.5760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 9.2720 -7.7773 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 - 8.0813 -11.9700 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 - 7.4860 -5.6873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 13.1607 -4.4840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 6.5867 -15.5547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 8.3727 -14.9593 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 - 14.0600 -3.2933 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 - 13.4647 -6.8780 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 - 6.5867 -17.0493 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 - 10.7667 -10.1713 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 - 10.4753 -17.0493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 13.4647 -15.8587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 14.9593 -16.7580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 15.8587 -15.2633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 16.1627 -13.4647 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 - 16.7580 -16.7580 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 - 17.3533 -14.9593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 2 1 1 0 0 0 0 - 3 2 1 0 0 0 0 - 4 2 1 0 0 0 0 - 5 1 1 0 0 0 0 - 6 5 1 0 0 0 0 - 7 1 1 0 0 0 0 - 8 7 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 2 1 0 0 0 0 - 13 7 1 0 0 0 0 - 14 13 1 0 0 0 0 - 15 14 1 0 0 0 0 - 16 15 1 0 0 0 0 - 17 16 1 0 0 0 0 - 18 16 1 0 0 0 0 - 19 16 1 0 0 0 0 -M END -- cgit v1.2.3