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/smartsEvaluation/lanthanides2.mol | 22 ---------------------- 1 file changed, 22 deletions(-) delete mode 100644 java/resources/smartsEvaluation/lanthanides2.mol (limited to 'java/resources/smartsEvaluation/lanthanides2.mol') diff --git a/java/resources/smartsEvaluation/lanthanides2.mol b/java/resources/smartsEvaluation/lanthanides2.mol deleted file mode 100644 index fa23d8c..0000000 --- a/java/resources/smartsEvaluation/lanthanides2.mol +++ /dev/null @@ -1,22 +0,0 @@ -lanthanides2 - -ISIS- 2D -Used JOELib chemistry kernel (expert systems) ID is 715333816 - 15 0 0 0 0 0 0 0 0 0 3 V2000 - 3.5847 -3.5847 0.0000 La 0 1 0 0 0 0 0 0 0 0 0 0 - 5.6873 -3.5847 0.0000 Ce 0 1 0 0 0 0 0 0 0 0 0 0 - 8.0813 -3.5847 0.0000 Pr 0 1 0 0 0 0 0 0 0 0 0 0 - 10.1713 -3.5847 0.0000 Nd 0 1 0 0 0 0 0 0 0 0 0 0 - 12.5653 -3.5847 0.0000 Pm 0 1 0 0 0 0 0 0 0 0 0 0 - 14.9593 -3.2933 0.0000 Sm 0 2 0 0 0 0 0 0 0 0 0 0 - 17.0493 -2.9893 0.0000 Eu 0 2 0 0 0 0 0 0 0 0 0 0 - 19.4433 -2.9893 0.0000 Gd 0 1 0 0 0 0 0 0 0 0 0 0 - 3.2933 -5.3833 0.0000 Tb 0 1 0 0 0 0 0 0 0 0 0 0 - 5.6873 -5.3833 0.0000 Dy 0 1 0 0 0 0 0 0 0 0 0 0 - 7.7773 -5.3833 0.0000 Ho 0 1 0 0 0 0 0 0 0 0 0 0 - 10.1713 -5.3833 0.0000 Er 0 1 0 0 0 0 0 0 0 0 0 0 - 12.5653 -5.3833 0.0000 Tm 0 1 0 0 0 0 0 0 0 0 0 0 - 15.5547 -5.3833 0.0000 Yb 0 2 0 0 0 0 0 0 0 0 0 0 - 18.2527 -5.0920 0.0000 Lu 0 1 0 0 0 0 0 0 0 0 0 0 -M CHG 8 1 3 2 3 3 3 4 3 5 3 6 2 7 2 8 3 -M CHG 7 9 3 10 3 11 3 12 3 13 3 14 2 15 3 -M END -- cgit v1.2.3