diff options
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
+
+$$$$
|