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author | rautenberg <rautenberg@in-silico.ch> | 2012-07-13 09:36:44 +0200 |
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committer | rautenberg <rautenberg@in-silico.ch> | 2012-07-13 09:36:44 +0200 |
commit | 9d0d9642ac0514fabc936dd4c69af33a0360d1b7 (patch) | |
tree | 1dcee6f7878ba3f19f0e8b2ed0f418efdd8cb1b9 /java/resources/smartsEvaluation/propan.mol | |
parent | 6dc3e7443093d6613d3db40eb610fc4d3da4988d (diff) | |
parent | bc73e239d9bce83f008314415246802a9151ae3f (diff) |
Merge branch 'release/v3.2.0'v4.0.0
Diffstat (limited to 'java/resources/smartsEvaluation/propan.mol')
-rw-r--r-- | java/resources/smartsEvaluation/propan.mol | 10 |
1 files changed, 10 insertions, 0 deletions
diff --git a/java/resources/smartsEvaluation/propan.mol b/java/resources/smartsEvaluation/propan.mol new file mode 100644 index 0000000..c922539 --- /dev/null +++ b/java/resources/smartsEvaluation/propan.mol @@ -0,0 +1,10 @@ +propan
+ -ISIS- 2D
+Used JOELib chemistry kernel (expert systems) ID is 715333816
+ 3 2 0 0 0 0 0 0 0 0 1 V2000
+ 6.3713 -6.9287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
+ 8.9047 -5.4973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
+ 11.4380 -7.1313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
+ 2 1 1 0 0 0 0
+ 3 2 1 0 0 0 0
+M END
|