diff options
Diffstat (limited to 'java/resources/smartsEvaluation/phenol.mol')
-rw-r--r-- | java/resources/smartsEvaluation/phenol.mol | 19 |
1 files changed, 0 insertions, 19 deletions
diff --git a/java/resources/smartsEvaluation/phenol.mol b/java/resources/smartsEvaluation/phenol.mol deleted file mode 100644 index 7dbb177..0000000 --- a/java/resources/smartsEvaluation/phenol.mol +++ /dev/null @@ -1,19 +0,0 @@ -phenol
- -ISIS- 2D
-Used JOELib chemistry kernel (expert systems) ID is 715333816
- 7 7 0 0 0 0 0 0 0 0 1 V2000
- 6.5867 -6.5867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
- 6.5867 -8.9807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
- 7.4860 -5.0920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
- 9.8800 -6.2827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
- 9.8800 -8.6767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
- 8.9807 -10.4753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
- 9.2720 -12.8693 0.0000 O 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
- 2 6 1 0 0 0 0
- 7 6 1 0 0 0 0
-M END
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