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/pyrimidin_derivat.mol | 78 ---------------------- 1 file changed, 78 deletions(-) delete mode 100644 java/resources/smartsEvaluation/pyrimidin_derivat.mol (limited to 'java/resources/smartsEvaluation/pyrimidin_derivat.mol') diff --git a/java/resources/smartsEvaluation/pyrimidin_derivat.mol b/java/resources/smartsEvaluation/pyrimidin_derivat.mol deleted file mode 100644 index 318bff6..0000000 --- a/java/resources/smartsEvaluation/pyrimidin_derivat.mol +++ /dev/null @@ -1,78 +0,0 @@ -pyrimidin_derivat - -ISIS- 2D -Used JOELib chemistry kernel (expert systems) ID is 715333816 - 36 37 0 0 0 0 0 0 0 0 1 V2000 - 10.4712 -7.4050 0.5606 C 0 0 0 0 0 0 0 0 0 0 0 0 - 10.5243 -8.7857 0.5301 C 0 0 0 0 0 0 0 0 0 0 0 0 - 11.6401 -6.6868 0.4111 C 0 0 0 0 0 0 0 0 0 0 0 0 - 12.8459 -7.3401 0.2348 N 0 0 0 0 0 0 0 0 0 0 0 0 - 12.9092 -8.7221 0.2082 C 0 0 0 0 0 0 0 0 0 0 0 0 - 11.7341 -9.4330 0.3559 N 0 0 0 0 0 0 0 0 0 0 0 0 - 11.5898 -4.9693 0.4434 Cl 0 0 0 0 0 0 0 0 0 0 0 0 - 9.1558 -6.6797 0.7501 C 0 0 0 0 0 0 0 0 0 0 0 0 - 9.2579 -9.5988 0.6841 C 0 0 0 0 0 0 0 0 0 0 0 0 - 14.2169 -9.5022 -0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 15.5120 -8.7212 0.2108 C 0 0 0 0 0 0 0 0 0 0 0 0 - 15.5725 -7.3433 0.3049 N 0 0 0 0 0 0 0 0 0 0 0 0 - 16.7823 -6.6992 0.4924 C 0 0 0 0 0 0 0 0 0 0 0 0 - 17.9519 -7.4271 0.5855 C 0 0 0 0 0 0 0 0 0 0 0 0 - 17.8981 -8.8027 0.4884 C 0 0 0 0 0 0 0 0 0 0 0 0 - 16.6876 -9.4411 0.3032 N 0 0 0 0 0 0 0 0 0 0 0 0 - 19.2752 -6.7297 0.7868 C 0 0 0 0 0 0 0 0 0 0 0 0 - 19.3457 -9.7253 0.5930 Cl 0 0 0 0 0 0 0 0 0 0 0 0 - 16.8281 -4.9848 0.6134 Cl 0 0 0 0 0 0 0 0 0 0 0 0 - 14.2691 -10.6655 0.9889 C 0 0 0 0 0 0 0 0 0 0 0 0 - 13.1905 -11.7048 0.6812 C 0 0 0 0 0 0 0 0 0 0 0 0 - 8.9699 -6.5771 1.7274 H 0 0 0 0 0 0 0 0 0 0 0 0 - 8.4204 -7.2071 0.3245 H 0 0 0 0 0 0 0 0 0 0 0 0 - 9.2094 -5.7762 0.3245 H 0 0 0 0 0 0 0 0 0 0 0 0 - 9.0599 -9.7259 1.6560 H 0 0 0 0 0 0 0 0 0 0 0 0 - 9.3803 -10.4911 0.2494 H 0 0 0 0 0 0 0 0 0 0 0 0 - 8.4974 -9.1162 0.2494 H 0 0 0 0 0 0 0 0 0 0 0 0 - 14.1897 -9.7740 -0.9620 H 0 0 0 0 0 0 0 0 0 0 0 0 - 19.4558 -6.6345 1.7658 H 0 0 0 0 0 0 0 0 0 0 0 0 - 19.2418 -5.8238 0.3644 H 0 0 0 0 0 0 0 0 0 0 0 0 - 20.0036 -7.2693 0.3644 H 0 0 0 0 0 0 0 0 0 0 0 0 - 14.1275 -10.3129 1.9139 H 0 0 0 0 0 0 0 0 0 0 0 0 - 15.1674 -11.1012 0.9317 H 0 0 0 0 0 0 0 0 0 0 0 0 - 12.8190 -12.0628 1.5379 H 0 0 0 0 0 0 0 0 0 0 0 0 - 13.5908 -12.4537 0.1528 H 0 0 0 0 0 0 0 0 0 0 0 0 - 12.4570 -11.2771 0.1528 H 0 0 0 0 0 0 0 0 0 0 0 0 - 2 1 2 0 0 0 0 - 3 1 1 0 0 0 0 - 4 3 2 0 0 0 0 - 5 4 1 0 0 0 0 - 6 5 2 0 0 0 0 - 6 2 1 0 0 0 0 - 7 3 1 0 0 0 0 - 8 1 1 0 0 0 0 - 9 2 1 0 0 0 0 - 10 5 1 0 0 0 0 - 11 10 1 0 0 0 0 - 12 11 2 0 0 0 0 - 13 12 1 0 0 0 0 - 14 13 2 0 0 0 0 - 15 14 1 0 0 0 0 - 16 15 2 0 0 0 0 - 16 11 1 0 0 0 0 - 17 14 1 0 0 0 0 - 18 15 1 0 0 0 0 - 19 13 1 0 0 0 0 - 20 10 1 0 0 0 0 - 21 20 1 0 0 0 0 - 22 8 1 0 0 0 0 - 23 8 1 0 0 0 0 - 24 8 1 0 0 0 0 - 25 9 1 0 0 0 0 - 26 9 1 0 0 0 0 - 27 9 1 0 0 0 0 - 28 10 1 0 0 0 0 - 29 17 1 0 0 0 0 - 30 17 1 0 0 0 0 - 31 17 1 0 0 0 0 - 32 20 1 0 0 0 0 - 33 20 1 0 0 0 0 - 34 21 1 0 0 0 0 - 35 21 1 0 0 0 0 - 36 21 1 0 0 0 0 -M END -- cgit v1.2.3