diff options
Diffstat (limited to 'java/resources/smartsEvaluation/2H-chromen-2-one.mol')
| -rw-r--r-- | java/resources/smartsEvaluation/2H-chromen-2-one.mol | 28 |
1 files changed, 0 insertions, 28 deletions
diff --git a/java/resources/smartsEvaluation/2H-chromen-2-one.mol b/java/resources/smartsEvaluation/2H-chromen-2-one.mol deleted file mode 100644 index 5043954..0000000 --- a/java/resources/smartsEvaluation/2H-chromen-2-one.mol +++ /dev/null @@ -1,28 +0,0 @@ -2H-chromen-2-one
- -ISIS- 2D
-Used JOELib chemistry kernel (expert systems) ID is 715333816
- 11 12 0 0 0 0 0 0 0 0 1 V2000
- 15.3484 -4.8980 0.0000 C 0 0 0 1 0 0 1 0 0 0 0 0
- 16.0134 -3.7462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
- 16.0134 -6.0498 0.0000 C 0 0 0 1 0 0 1 0 0 0 0 0
- 17.3434 -3.7462 0.0000 C 0 0 0 1 0 0 1 0 0 0 0 0
- 15.3484 -7.2016 0.0000 O 0 0 0 1 0 0 1 0 0 0 0 0
- 17.3434 -6.0498 0.0000 O 0 0 0 1 0 0 1 0 0 0 0 0
- 18.0084 -4.8980 0.0000 C 0 0 0 1 0 0 1 0 0 0 0 0
- 18.0084 -2.5943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
- 19.3384 -4.8980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
- 19.3384 -2.5943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
- 20.0034 -3.7462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 2 0 0 0 0
- 1 3 1 0 0 0 0
- 2 4 1 0 0 0 0
- 3 5 2 0 0 0 0
- 3 6 1 0 0 0 0
- 4 7 2 0 0 0 0
- 4 8 1 0 0 0 0
- 6 7 1 0 0 0 0
- 7 9 1 0 0 0 0
- 8 10 2 0 0 0 0
- 9 11 2 0 0 0 0
- 10 11 1 0 0 0 0
-M END
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