diff options
| author | Christoph Helma <helma@in-silico.ch> | 2015-08-10 09:48:57 +0200 |
|---|---|---|
| committer | Christoph Helma <helma@in-silico.ch> | 2015-08-10 09:48:57 +0200 |
| commit | 23ecfc6fa5ae4913e5cd17b7d58432d1f88d780c (patch) | |
| tree | 83d78aed2b9fbaa85400be96acfa5ace56537d1c /test/data/acetaldehyde.sdf | |
| parent | ef76c077fd39d31fc795b842c32575f6afb9fdb2 (diff) | |
transfer to new git project started
Diffstat (limited to 'test/data/acetaldehyde.sdf')
| -rw-r--r-- | test/data/acetaldehyde.sdf | 14 |
1 files changed, 14 insertions, 0 deletions
diff --git a/test/data/acetaldehyde.sdf b/test/data/acetaldehyde.sdf new file mode 100644 index 0000000..de8dbd1 --- /dev/null +++ b/test/data/acetaldehyde.sdf @@ -0,0 +1,14 @@ +
+
+
+ 3 2 0 0 0 0 0 0 0 0 1 V2000
+ 2.3030 -0.6656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
+ 1.1515 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
+ 0.0000 -0.6656 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
+ 1 2 1 0 0 0 0
+ 2 3 2 0 0 0 0
+M END
+> <ActivityOutcome_CPDBAS_Hamster>
+active
+
+$$$$
|