diff options
author | rautenberg <rautenberg@in-silico.ch> | 2012-07-13 09:36:44 +0200 |
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committer | rautenberg <rautenberg@in-silico.ch> | 2012-07-13 09:36:44 +0200 |
commit | 9d0d9642ac0514fabc936dd4c69af33a0360d1b7 (patch) | |
tree | 1dcee6f7878ba3f19f0e8b2ed0f418efdd8cb1b9 /java/resources/smartsEvaluation/pyridine.mol | |
parent | 6dc3e7443093d6613d3db40eb610fc4d3da4988d (diff) | |
parent | bc73e239d9bce83f008314415246802a9151ae3f (diff) |
Merge branch 'release/v3.2.0'v4.0.0
Diffstat (limited to 'java/resources/smartsEvaluation/pyridine.mol')
-rw-r--r-- | java/resources/smartsEvaluation/pyridine.mol | 17 |
1 files changed, 17 insertions, 0 deletions
diff --git a/java/resources/smartsEvaluation/pyridine.mol b/java/resources/smartsEvaluation/pyridine.mol new file mode 100644 index 0000000..203b9c9 --- /dev/null +++ b/java/resources/smartsEvaluation/pyridine.mol @@ -0,0 +1,17 @@ +pyridine
+ -ISIS- 2D
+Used JOELib chemistry kernel (expert systems) ID is 715333816
+ 6 6 0 0 0 0 0 0 0 0 1 V2000
+ 7.4860 -5.9787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
+ 7.1820 -8.6767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
+ 9.5760 -4.7880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
+ 11.3747 -6.2827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
+ 11.3747 -8.9807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
+ 8.9807 -10.4753 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
+ 2 1 1 0 0 0 0
+ 3 1 2 0 0 0 0
+ 4 3 1 0 0 0 0
+ 5 4 2 0 0 0 0
+ 6 2 2 0 0 0 0
+ 6 5 1 0 0 0 0
+M END
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