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/butan.mol | |
| parent | cb67fe0e722a58b6fcf212ef045808dc9a13053a (diff) | |
Remove PC descriptor
Diffstat (limited to 'java/resources/smartsEvaluation/butan.mol')
| -rw-r--r-- | java/resources/smartsEvaluation/butan.mol | 12 |
1 files changed, 0 insertions, 12 deletions
diff --git a/java/resources/smartsEvaluation/butan.mol b/java/resources/smartsEvaluation/butan.mol deleted file mode 100644 index e881f05..0000000 --- a/java/resources/smartsEvaluation/butan.mol +++ /dev/null @@ -1,12 +0,0 @@ -butan
- -ISIS- 2D
-Used JOELib chemistry kernel (expert systems) ID is 715333816
- 4 3 0 0 0 0 0 0 0 0 1 V2000
- 5.1807 -5.5480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
- 7.4100 -4.2813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
- 9.0693 -6.1813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
- 10.8047 -4.7120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
- 2 1 1 0 0 0 0
- 3 2 1 0 0 0 0
- 4 3 1 0 0 0 0
-M END
|