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 --- ...roxythio)oxy]-2-sulfinovinyl}(oxo)sulfonium.mol | 35 ---------------------- 1 file changed, 35 deletions(-) delete mode 100644 java/resources/smartsEvaluation/{(Z)-1-(1-hydrazinopropyl)-2-[(hydroxythio)oxy]-2-sulfinovinyl}(oxo)sulfonium.mol (limited to 'java/resources/smartsEvaluation/{(Z)-1-(1-hydrazinopropyl)-2-[(hydroxythio)oxy]-2-sulfinovinyl}(oxo)sulfonium.mol') diff --git a/java/resources/smartsEvaluation/{(Z)-1-(1-hydrazinopropyl)-2-[(hydroxythio)oxy]-2-sulfinovinyl}(oxo)sulfonium.mol b/java/resources/smartsEvaluation/{(Z)-1-(1-hydrazinopropyl)-2-[(hydroxythio)oxy]-2-sulfinovinyl}(oxo)sulfonium.mol deleted file mode 100644 index 5ccc44d..0000000 --- a/java/resources/smartsEvaluation/{(Z)-1-(1-hydrazinopropyl)-2-[(hydroxythio)oxy]-2-sulfinovinyl}(oxo)sulfonium.mol +++ /dev/null @@ -1,35 +0,0 @@ -{(Z)-1-(1-hydrazinopropyl)-2-[(hydroxythio)oxy]-2-sulfinovinyl}(oxo)sulfonium - -ISIS- 2D -Used JOELib chemistry kernel (expert systems) ID is 715333816 - 15 14 0 0 0 0 0 0 0 0 2 V2000 - 13.3074 -7.5367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 10.6151 -7.5367 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 - 9.2690 -9.8683 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 - 9.2690 -5.2051 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 - 14.6536 -9.8683 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 - 13.3074 -12.1999 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 - 14.6536 -14.5315 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 - 14.6536 -5.2051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 17.3459 -5.2051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 18.6921 -7.5367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 21.3844 -7.5367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 13.3074 -2.8734 0.0000 S 0 3 0 0 0 0 0 0 0 0 0 0 - 14.6536 -0.5418 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 - 18.6921 -2.8734 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 - 21.3844 -2.8734 0.0000 N 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 2 0 0 0 0 - 5 1 1 0 0 0 0 - 6 5 1 0 0 0 0 - 7 6 1 0 0 0 0 - 8 1 2 0 0 0 0 - 9 8 1 0 0 0 0 - 10 9 1 0 0 0 0 - 11 10 1 0 0 0 0 - 12 8 1 0 0 0 0 - 13 12 2 0 0 0 0 - 14 9 1 0 0 0 0 - 15 14 1 0 0 0 0 -M CHG 1 12 1 -M END -- cgit v1.2.3