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 --- .../5-cyclobutyl-2-cycloheptylphosphinane.mol | 41 ---------------------- 1 file changed, 41 deletions(-) delete mode 100644 java/resources/smartsEvaluation/5-cyclobutyl-2-cycloheptylphosphinane.mol (limited to 'java/resources/smartsEvaluation/5-cyclobutyl-2-cycloheptylphosphinane.mol') diff --git a/java/resources/smartsEvaluation/5-cyclobutyl-2-cycloheptylphosphinane.mol b/java/resources/smartsEvaluation/5-cyclobutyl-2-cycloheptylphosphinane.mol deleted file mode 100644 index c23c0da..0000000 --- a/java/resources/smartsEvaluation/5-cyclobutyl-2-cycloheptylphosphinane.mol +++ /dev/null @@ -1,41 +0,0 @@ -5-cyclobutyl-2-cycloheptylphosphinane - -ISIS- 2D -Used JOELib chemistry kernel (expert systems) ID is 715333816 - 17 19 0 0 0 0 0 0 0 0 1 V2000 - 11.5601 -7.2473 -0.7307 C 0 0 0 0 0 0 0 0 0 0 0 0 - 11.9182 -5.7812 -0.8202 C 0 0 0 0 0 0 0 0 0 0 0 0 - 12.8945 -6.3064 -0.7134 C 0 0 0 0 0 0 0 0 0 0 0 0 - 13.0579 -5.1632 -0.7910 C 0 0 0 0 0 0 0 0 0 0 0 0 - 14.1518 -6.8939 -0.2466 C 0 0 0 0 0 0 0 0 0 0 0 0 - 13.9384 -7.7871 -0.0697 C 0 0 0 0 0 0 0 0 0 0 0 0 - 15.1751 -6.6864 -0.0435 C 0 0 0 0 0 0 0 0 0 0 0 0 - 15.6125 -7.4850 0.2722 C 0 0 0 0 0 0 0 0 0 0 0 0 - 14.6013 -8.5627 0.2967 P 0 0 0 0 0 0 0 0 0 0 0 0 - 15.4289 -8.6482 0.5263 C 0 0 0 0 0 0 0 0 0 0 0 0 - 15.3401 -9.4580 0.7129 C 0 0 0 0 0 0 0 0 0 0 0 0 - 14.3497 -10.0100 0.6071 C 0 0 0 0 0 0 0 0 0 0 0 0 - 16.0690 -10.3513 1.1261 C 0 0 0 0 0 0 0 0 0 0 0 0 - 13.7372 -10.8208 0.6625 C 0 0 0 0 0 0 0 0 0 0 0 0 - 16.0702 -11.4419 1.4078 C 0 0 0 0 0 0 0 0 0 0 0 0 - 14.2826 -11.6494 1.0131 C 0 0 0 0 0 0 0 0 0 0 0 0 - 15.1815 -11.8748 1.2967 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 3 1 0 0 0 0 - 4 2 1 0 0 0 0 - 5 3 1 0 0 0 0 - 6 5 1 0 0 0 0 - 7 5 1 0 0 0 0 - 8 7 1 0 0 0 0 - 9 6 1 0 0 0 0 - 10 9 1 0 0 0 0 - 10 8 1 0 0 0 0 - 11 10 1 0 0 0 0 - 12 11 1 0 0 0 0 - 13 11 1 0 0 0 0 - 14 12 1 0 0 0 0 - 15 13 1 0 0 0 0 - 16 14 1 0 0 0 0 - 17 16 1 0 0 0 0 - 17 15 1 0 0 0 0 -M END -- cgit v1.2.3