diff options
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
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