diff options
| author | David Vorgrimmler <vorgrimmlerdavid@gmx.de> | 2012-04-18 16:13:37 +0200 |
|---|---|---|
| committer | David Vorgrimmler <vorgrimmlerdavid@gmx.de> | 2012-04-18 16:13:37 +0200 |
| commit | 14a217967170df6655d150e2b2cba70dc88a44f2 (patch) | |
| tree | cfd00d4adc2bd1ecd0837e97877d34523f80345b /java/resources/smartsEvaluation/earth_alkanline.mol | |
| parent | 050fd7093fc8eb1a09afc67f381a411d9c124ca3 (diff) | |
| parent | 8f747e0e917fb85395d7e355173ba96d72b8cafa (diff) | |
Merge branch 'pc_unified_from_jl' into development
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
|