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/boron_group.mol | |
| parent | 6dc3e7443093d6613d3db40eb610fc4d3da4988d (diff) | |
| parent | bc73e239d9bce83f008314415246802a9151ae3f (diff) | |
Merge branch 'release/v3.2.0'v4.0.0
Diffstat (limited to 'java/resources/smartsEvaluation/boron_group.mol')
| -rw-r--r-- | java/resources/smartsEvaluation/boron_group.mol | 15 |
1 files changed, 15 insertions, 0 deletions
diff --git a/java/resources/smartsEvaluation/boron_group.mol b/java/resources/smartsEvaluation/boron_group.mol new file mode 100644 index 0000000..482e7a7 --- /dev/null +++ b/java/resources/smartsEvaluation/boron_group.mol @@ -0,0 +1,15 @@ +boron_group
+ -ISIS- 2D
+Used JOELib chemistry kernel (expert systems) ID is 715333816
+ 5 4 0 0 0 0 0 0 0 0 2 V2000
+ 7.1820 -3.8887 0.0000 B 0 0 0 0 0 0 0 0 0 0 0 0
+ 8.6767 -3.8887 0.0000 Al 0 3 0 0 0 0 0 0 0 0 0 0
+ 11.0707 -3.8887 0.0000 Ga 0 3 0 0 0 0 0 0 0 0 0 0
+ 14.3640 -3.8887 0.0000 In 0 3 0 0 0 0 0 0 0 0 0 0
+ 17.0493 -3.8887 0.0000 Tl 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
+M CHG 3 2 1 3 1 4 1
+M END
|