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 --- ...hylaziridin-2-yl)propyl]-1,3-azaphosphinane.mol | 49 ---------------------- 1 file changed, 49 deletions(-) delete mode 100644 java/resources/smartsEvaluation/5-[1-cyclobutyl-2-[(hydroxythio)oxy]-1-(3-methylaziridin-2-yl)propyl]-1,3-azaphosphinane.mol (limited to 'java/resources/smartsEvaluation/5-[1-cyclobutyl-2-[(hydroxythio)oxy]-1-(3-methylaziridin-2-yl)propyl]-1,3-azaphosphinane.mol') diff --git a/java/resources/smartsEvaluation/5-[1-cyclobutyl-2-[(hydroxythio)oxy]-1-(3-methylaziridin-2-yl)propyl]-1,3-azaphosphinane.mol b/java/resources/smartsEvaluation/5-[1-cyclobutyl-2-[(hydroxythio)oxy]-1-(3-methylaziridin-2-yl)propyl]-1,3-azaphosphinane.mol deleted file mode 100644 index 5a0d35f..0000000 --- a/java/resources/smartsEvaluation/5-[1-cyclobutyl-2-[(hydroxythio)oxy]-1-(3-methylaziridin-2-yl)propyl]-1,3-azaphosphinane.mol +++ /dev/null @@ -1,49 +0,0 @@ -5-[1-cyclobutyl-2-[(hydroxythio)oxy]-1-(3-methylaziridin-2-yl)propyl]-1,3-azaphosphinane - -ISIS- 2D -Used JOELib chemistry kernel (expert systems) ID is 715333816 - 21 23 0 0 0 0 0 0 0 0 1 V2000 - 14.4588 -9.9742 0.1275 O 0 0 0 0 0 0 0 0 0 0 0 0 - 14.0084 -9.0071 0.1648 S 0 0 0 0 0 0 0 0 0 0 0 0 - 14.9065 -7.4627 -0.3333 O 0 0 0 0 0 0 0 0 0 0 0 0 - 15.8063 -7.8254 -0.5992 C 0 0 0 0 0 0 0 0 0 0 0 0 - 16.6675 -7.1375 -0.9800 C 0 0 0 0 0 0 0 0 0 0 0 0 - 16.1948 -8.7445 -0.6210 C 0 0 0 0 0 0 0 0 0 0 0 0 - 17.7874 -6.5911 -1.4328 C 0 0 0 0 0 0 0 0 0 0 0 0 - 16.8956 -4.9493 -1.3257 C 0 0 0 0 0 0 0 0 0 0 0 0 - 17.6846 -4.3295 -1.6733 C 0 0 0 0 0 0 0 0 0 0 0 0 - 16.3954 -3.9491 -1.2754 N 0 0 0 0 0 0 0 0 0 0 0 0 - 18.0849 -5.4216 -1.6781 C 0 0 0 0 0 0 0 0 0 0 0 0 - 18.8313 -5.8972 -1.8774 C 0 0 0 0 0 0 0 0 0 0 0 0 - 18.9739 -4.9793 -2.0385 C 0 0 0 0 0 0 0 0 0 0 0 0 - 14.5343 -4.5242 -0.5636 C 0 0 0 0 0 0 0 0 0 0 0 0 - 13.4972 -4.7288 -0.1811 C 0 0 0 0 0 0 0 0 0 0 0 0 - 14.6782 -3.1645 -0.7588 C 0 0 0 0 0 0 0 0 0 0 0 0 - 13.8767 -2.5753 -0.4658 P 0 0 0 0 0 0 0 0 0 0 0 0 - 12.5866 -3.8311 0.0233 N 0 0 0 0 0 0 0 0 0 0 0 0 - 12.8387 -2.9265 -0.0507 C 0 0 0 0 0 0 0 0 0 0 0 0 - 18.7675 -3.8872 -1.9869 C 0 0 0 0 0 0 0 0 0 0 0 0 - 14.3640 -11.6660 0.1275 H 0 0 0 0 0 0 0 0 0 0 0 0 - 3 2 1 0 0 0 0 - 4 3 1 0 0 0 0 - 5 4 1 0 0 0 0 - 6 4 1 0 0 0 0 - 7 5 1 0 0 0 0 - 8 5 1 0 0 0 0 - 9 8 1 0 0 0 0 - 10 8 1 0 0 0 0 - 10 9 1 0 0 0 0 - 11 7 1 0 0 0 0 - 12 7 1 0 0 0 0 - 13 12 1 0 0 0 0 - 13 11 1 0 0 0 0 - 14 5 1 0 0 0 0 - 15 14 1 0 0 0 0 - 16 14 1 0 0 0 0 - 17 16 1 0 0 0 0 - 18 15 1 0 0 0 0 - 19 18 1 0 0 0 0 - 19 17 1 0 0 0 0 - 1 2 1 0 0 0 0 - 20 9 1 0 0 0 0 - 21 1 1 0 0 0 0 -M END -- cgit v1.2.3