diff options
Diffstat (limited to 'java/resources/smartsEvaluation/butene.mol')
| -rw-r--r-- | java/resources/smartsEvaluation/butene.mol | 12 |
1 files changed, 12 insertions, 0 deletions
diff --git a/java/resources/smartsEvaluation/butene.mol b/java/resources/smartsEvaluation/butene.mol new file mode 100644 index 0000000..94a6355 --- /dev/null +++ b/java/resources/smartsEvaluation/butene.mol @@ -0,0 +1,12 @@ +butene
+ -ISIS- 2D
+
+ 4 3 0 0 0 0 0 0 0 0 1 V2000
+ 17.9805 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
+ 16.5581 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
+ 15.2325 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
+ 13.8035 0.0000 0.0000 C 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
+ 3 4 1 0 0 0 0
+M END
|