diff options
| author | rautenberg <rautenberg@in-silico.ch> | 2012-07-13 09:36:44 +0200 |
|---|---|---|
| committer | rautenberg <rautenberg@in-silico.ch> | 2012-07-13 09:36:44 +0200 |
| commit | 9d0d9642ac0514fabc936dd4c69af33a0360d1b7 (patch) | |
| tree | 1dcee6f7878ba3f19f0e8b2ed0f418efdd8cb1b9 /java/resources/smartsEvaluation/alkali_elements.mol | |
| parent | 6dc3e7443093d6613d3db40eb610fc4d3da4988d (diff) | |
| parent | bc73e239d9bce83f008314415246802a9151ae3f (diff) | |
Merge branch 'release/v3.2.0'v4.0.0
Diffstat (limited to 'java/resources/smartsEvaluation/alkali_elements.mol')
| -rw-r--r-- | java/resources/smartsEvaluation/alkali_elements.mol | 17 |
1 files changed, 17 insertions, 0 deletions
diff --git a/java/resources/smartsEvaluation/alkali_elements.mol b/java/resources/smartsEvaluation/alkali_elements.mol new file mode 100644 index 0000000..ea0c7ea --- /dev/null +++ b/java/resources/smartsEvaluation/alkali_elements.mol @@ -0,0 +1,17 @@ +alkali_elements
+ -ISIS- 2D
+Used JOELib chemistry kernel (expert systems) ID is 715333816
+ 6 5 0 0 0 0 0 0 0 0 2 V2000
+ 4.7880 -3.8887 0.0000 Li 0 0 0 0 0 0 0 0 0 0 0 0
+ 6.5867 -3.5847 0.0000 Na 0 5 0 0 0 0 0 0 0 0 0 0
+ 8.9807 -3.5847 0.0000 K 0 5 0 0 0 0 0 0 0 0 0 0
+ 11.9700 -3.5847 0.0000 Rb 0 5 0 0 0 0 0 0 0 0 0 0
+ 14.9593 -3.8887 0.0000 Cs 0 5 0 0 0 0 0 0 0 0 0 0
+ 17.0493 -3.8887 0.0000 Fr 0 0 0 0 0 0 0 0 0 0 0 0
+ 1 2 1 0 0 0 0
+ 2 3 1 0 0 0 0
+ 3 4 1 0 0 0 0
+ 4 5 1 0 0 0 0
+ 5 6 1 0 0 0 0
+M CHG 4 2 -1 3 -1 4 -1 5 -1
+M END
|