diff options
Diffstat (limited to 'java/resources/smartsEvaluation/pyridine.mol')
| -rw-r--r-- | java/resources/smartsEvaluation/pyridine.mol | 17 |
1 files changed, 17 insertions, 0 deletions
diff --git a/java/resources/smartsEvaluation/pyridine.mol b/java/resources/smartsEvaluation/pyridine.mol new file mode 100644 index 0000000..203b9c9 --- /dev/null +++ b/java/resources/smartsEvaluation/pyridine.mol @@ -0,0 +1,17 @@ +pyridine
+ -ISIS- 2D
+Used JOELib chemistry kernel (expert systems) ID is 715333816
+ 6 6 0 0 0 0 0 0 0 0 1 V2000
+ 7.4860 -5.9787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
+ 7.1820 -8.6767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
+ 9.5760 -4.7880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
+ 11.3747 -6.2827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
+ 11.3747 -8.9807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
+ 8.9807 -10.4753 0.0000 N 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 3 1 0 0 0 0
+ 5 4 2 0 0 0 0
+ 6 2 2 0 0 0 0
+ 6 5 1 0 0 0 0
+M END
|