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/{(Z)-1-(1-hydrazinopropyl)-2-[(hydroxythio)oxy]-2-sulfinovinyl}(oxo)sulfonium.mol | |
| parent | cb67fe0e722a58b6fcf212ef045808dc9a13053a (diff) | |
Remove PC descriptor
Diffstat (limited to 'java/resources/smartsEvaluation/{(Z)-1-(1-hydrazinopropyl)-2-[(hydroxythio)oxy]-2-sulfinovinyl}(oxo)sulfonium.mol')
| -rw-r--r-- | java/resources/smartsEvaluation/{(Z)-1-(1-hydrazinopropyl)-2-[(hydroxythio)oxy]-2-sulfinovinyl}(oxo)sulfonium.mol | 35 |
1 files changed, 0 insertions, 35 deletions
diff --git a/java/resources/smartsEvaluation/{(Z)-1-(1-hydrazinopropyl)-2-[(hydroxythio)oxy]-2-sulfinovinyl}(oxo)sulfonium.mol b/java/resources/smartsEvaluation/{(Z)-1-(1-hydrazinopropyl)-2-[(hydroxythio)oxy]-2-sulfinovinyl}(oxo)sulfonium.mol deleted file mode 100644 index 5ccc44d..0000000 --- a/java/resources/smartsEvaluation/{(Z)-1-(1-hydrazinopropyl)-2-[(hydroxythio)oxy]-2-sulfinovinyl}(oxo)sulfonium.mol +++ /dev/null @@ -1,35 +0,0 @@ -{(Z)-1-(1-hydrazinopropyl)-2-[(hydroxythio)oxy]-2-sulfinovinyl}(oxo)sulfonium
- -ISIS- 2D
-Used JOELib chemistry kernel (expert systems) ID is 715333816
- 15 14 0 0 0 0 0 0 0 0 2 V2000
- 13.3074 -7.5367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
- 10.6151 -7.5367 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
- 9.2690 -9.8683 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
- 9.2690 -5.2051 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
- 14.6536 -9.8683 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
- 13.3074 -12.1999 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
- 14.6536 -14.5315 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
- 14.6536 -5.2051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
- 17.3459 -5.2051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
- 18.6921 -7.5367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
- 21.3844 -7.5367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
- 13.3074 -2.8734 0.0000 S 0 3 0 0 0 0 0 0 0 0 0 0
- 14.6536 -0.5418 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
- 18.6921 -2.8734 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
- 21.3844 -2.8734 0.0000 N 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 2 2 0 0 0 0
- 5 1 1 0 0 0 0
- 6 5 1 0 0 0 0
- 7 6 1 0 0 0 0
- 8 1 2 0 0 0 0
- 9 8 1 0 0 0 0
- 10 9 1 0 0 0 0
- 11 10 1 0 0 0 0
- 12 8 1 0 0 0 0
- 13 12 2 0 0 0 0
- 14 9 1 0 0 0 0
- 15 14 1 0 0 0 0
-M CHG 1 12 1
-M END
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