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/earth_alkanline.mol | |
| parent | 6dc3e7443093d6613d3db40eb610fc4d3da4988d (diff) | |
| parent | bc73e239d9bce83f008314415246802a9151ae3f (diff) | |
Merge branch 'release/v3.2.0'v4.0.0
Diffstat (limited to 'java/resources/smartsEvaluation/earth_alkanline.mol')
| -rw-r--r-- | java/resources/smartsEvaluation/earth_alkanline.mol | 12 |
1 files changed, 12 insertions, 0 deletions
diff --git a/java/resources/smartsEvaluation/earth_alkanline.mol b/java/resources/smartsEvaluation/earth_alkanline.mol new file mode 100644 index 0000000..7b31a0d --- /dev/null +++ b/java/resources/smartsEvaluation/earth_alkanline.mol @@ -0,0 +1,12 @@ +earth_alkanline
+ -ISIS- 2D
+Used JOELib chemistry kernel (expert systems) ID is 715333816
+ 6 0 0 0 0 0 0 0 0 0 2 V2000
+ 6.2827 -3.5847 0.0000 Be 0 2 0 0 0 0 0 0 0 0 0 0
+ 8.0813 -3.5847 0.0000 Mg 0 2 0 0 0 0 0 0 0 0 0 0
+ 9.8800 -3.5847 0.0000 Ca 0 2 0 0 0 0 0 0 0 0 0 0
+ 11.9700 -3.5847 0.0000 Sr 0 2 0 0 0 0 0 0 0 0 0 0
+ 13.7687 -3.5847 0.0000 Ba 0 2 0 0 0 0 0 0 0 0 0 0
+ 15.8587 -3.5847 0.0000 Ra 0 2 0 0 0 0 0 0 0 0 0 0
+M CHG 6 1 2 2 2 3 2 4 2 5 2 6 2
+M END
|