diff options
| author | Andreas Maunz <andreas@maunz.de> | 2012-04-02 09:18:14 +0200 |
|---|---|---|
| committer | Andreas Maunz <andreas@maunz.de> | 2012-04-02 09:18:14 +0200 |
| commit | 3cd136861c68b8c24cc653c903c620d55be4b294 (patch) | |
| tree | ab50372c9ed9cab413e72b62f219d23ca481e935 /java/resources/smartsEvaluation/4-chlorpyrimidin.mol | |
| parent | cb67fe0e722a58b6fcf212ef045808dc9a13053a (diff) | |
Remove PC descriptor
Diffstat (limited to 'java/resources/smartsEvaluation/4-chlorpyrimidin.mol')
| -rw-r--r-- | java/resources/smartsEvaluation/4-chlorpyrimidin.mol | 19 |
1 files changed, 0 insertions, 19 deletions
diff --git a/java/resources/smartsEvaluation/4-chlorpyrimidin.mol b/java/resources/smartsEvaluation/4-chlorpyrimidin.mol deleted file mode 100644 index a1f088f..0000000 --- a/java/resources/smartsEvaluation/4-chlorpyrimidin.mol +++ /dev/null @@ -1,19 +0,0 @@ -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
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