diff options
Diffstat (limited to 'java/resources/smartsEvaluation/4-(methylimino)cyclohexa-2,5-dien-1-one.mol')
| -rw-r--r-- | java/resources/smartsEvaluation/4-(methylimino)cyclohexa-2,5-dien-1-one.mol | 23 |
1 files changed, 0 insertions, 23 deletions
diff --git a/java/resources/smartsEvaluation/4-(methylimino)cyclohexa-2,5-dien-1-one.mol b/java/resources/smartsEvaluation/4-(methylimino)cyclohexa-2,5-dien-1-one.mol deleted file mode 100644 index 2acceac..0000000 --- a/java/resources/smartsEvaluation/4-(methylimino)cyclohexa-2,5-dien-1-one.mol +++ /dev/null @@ -1,23 +0,0 @@ -4-(methylimino)cyclohexa-2,5-dien-1-one
- -ISIS- 2D
-Used JOELib chemistry kernel (expert systems) ID is 715333816
- 9 9 0 0 0 0 0 0 0 0 1 V2000
- 17.0888 -6.8970 -0.2894 C 0 0 0 0 0 0 0 0 0 0 0 0
- 16.9513 -5.6389 -0.3235 C 0 0 0 0 0 0 0 0 0 0 0 0
- 15.8764 -7.3987 -0.3337 N 0 0 0 0 0 0 0 0 0 0 0 0
- 14.4666 -6.5683 -0.4165 C 0 0 0 0 0 0 0 0 0 0 0 0
- 17.8439 -5.0005 -0.2968 C 0 0 0 0 0 0 0 0 0 0 0 0
- 18.8479 -5.7083 -0.2352 C 0 0 0 0 0 0 0 0 0 0 0 0
- 18.9567 -6.9496 -0.2028 C 0 0 0 0 0 0 0 0 0 0 0 0
- 18.0430 -7.8213 -0.2253 C 0 0 0 0 0 0 0 0 0 0 0 0
- 21.0621 -6.9571 -0.6842 O 0 0 0 0 0 0 0 0 0 0 0 0
- 2 1 1 0 0 0 0
- 3 1 2 0 0 0 0
- 4 3 1 0 0 0 0
- 5 2 2 0 0 0 0
- 6 5 1 0 0 0 0
- 7 6 1 0 0 0 0
- 8 7 2 0 0 0 0
- 8 1 1 0 0 0 0
- 9 6 2 0 0 0 0
-M END
|