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/3-hydroxy-4-iminocyclohexa-2,5-dien-1-one.mol | |
| parent | 050fd7093fc8eb1a09afc67f381a411d9c124ca3 (diff) | |
| parent | 8f747e0e917fb85395d7e355173ba96d72b8cafa (diff) | |
Merge branch 'pc_unified_from_jl' into development
Diffstat (limited to 'java/resources/smartsEvaluation/3-hydroxy-4-iminocyclohexa-2,5-dien-1-one.mol')
| -rw-r--r-- | java/resources/smartsEvaluation/3-hydroxy-4-iminocyclohexa-2,5-dien-1-one.mol | 23 |
1 files changed, 23 insertions, 0 deletions
diff --git a/java/resources/smartsEvaluation/3-hydroxy-4-iminocyclohexa-2,5-dien-1-one.mol b/java/resources/smartsEvaluation/3-hydroxy-4-iminocyclohexa-2,5-dien-1-one.mol new file mode 100644 index 0000000..df06e7e --- /dev/null +++ b/java/resources/smartsEvaluation/3-hydroxy-4-iminocyclohexa-2,5-dien-1-one.mol @@ -0,0 +1,23 @@ +3-hydroxy-4-iminocyclohexa-2,5-dien-1-one
+ -ISIS- 2D
+Used JOELib chemistry kernel (expert systems) ID is 715333816
+ 9 9 0 0 0 0 0 0 0 0 1 V2000
+ 16.6868 -5.8657 -0.4523 C 0 0 0 0 0 0 0 0 0 0 0 0
+ 16.8457 -4.6103 -0.4926 C 0 0 0 0 0 0 0 0 0 0 0 0
+ 15.4075 -6.0656 -0.2358 N 0 0 0 0 0 0 0 0 0 0 0 0
+ 15.8127 -3.6875 -0.3296 O 0 0 0 0 0 0 0 0 0 0 0 0
+ 17.8498 -4.2016 -0.6653 C 0 0 0 0 0 0 0 0 0 0 0 0
+ 18.6496 -5.1278 -0.7891 C 0 0 0 0 0 0 0 0 0 0 0 0
+ 18.4670 -6.3600 -0.7451 C 0 0 0 0 0 0 0 0 0 0 0 0
+ 17.3888 -6.9904 -0.5576 C 0 0 0 0 0 0 0 0 0 0 0 0
+ 20.3679 -6.8545 -1.6433 O 0 0 0 0 0 0 0 0 0 0 0 0
+ 2 1 1 0 0 0 0
+ 3 1 2 0 0 0 0
+ 4 2 1 0 0 0 0
+ 5 2 2 0 0 0 0
+ 6 5 1 0 0 0 0
+ 7 6 1 0 0 0 0
+ 8 7 2 0 0 0 0
+ 8 1 1 0 0 0 0
+ 9 6 2 0 0 0 0
+M END
|