diff options
Diffstat (limited to 'java/resources/smartsEvaluation/4-chlorpyrimidin.mol')
| -rw-r--r-- | java/resources/smartsEvaluation/4-chlorpyrimidin.mol | 19 |
1 files changed, 19 insertions, 0 deletions
diff --git a/java/resources/smartsEvaluation/4-chlorpyrimidin.mol b/java/resources/smartsEvaluation/4-chlorpyrimidin.mol new file mode 100644 index 0000000..a1f088f --- /dev/null +++ b/java/resources/smartsEvaluation/4-chlorpyrimidin.mol @@ -0,0 +1,19 @@ +4-chlorpyrimidin
+ -ISIS- 2D
+Used JOELib chemistry kernel (expert systems) ID is 715333816
+ 7 7 0 0 0 0 0 0 0 0 1 V2000
+ 12.4065 -4.8406 0.4940 C 0 0 0 0 0 0 0 0 0 0 0 0
+ 12.4533 -6.0573 0.4671 C 0 0 0 0 0 0 0 0 0 0 0 0
+ 13.4366 -4.2077 0.3623 C 0 0 0 0 0 0 0 0 0 0 0 0
+ 14.4991 -4.7834 0.2069 N 0 0 0 0 0 0 0 0 0 0 0 0
+ 14.5549 -6.0012 0.1835 C 0 0 0 0 0 0 0 0 0 0 0 0
+ 13.5194 -6.6277 0.3136 N 0 0 0 0 0 0 0 0 0 0 0 0
+ 13.3923 -2.6943 0.3907 Cl 0 0 0 0 0 0 0 0 0 0 0 0
+ 2 1 2 0 0 0 0
+ 3 1 1 0 0 0 0
+ 4 3 2 0 0 0 0
+ 5 4 1 0 0 0 0
+ 6 5 2 0 0 0 0
+ 6 2 1 0 0 0 0
+ 7 3 1 0 0 0 0
+M END
|