diff options
Diffstat (limited to 'java/resources/aspirin2D.mol')
| -rw-r--r-- | java/resources/aspirin2D.mol | 31 |
1 files changed, 0 insertions, 31 deletions
diff --git a/java/resources/aspirin2D.mol b/java/resources/aspirin2D.mol deleted file mode 100644 index 32daecf..0000000 --- a/java/resources/aspirin2D.mol +++ /dev/null @@ -1,31 +0,0 @@ -aspirin 2D deprotonated
- -ISIS- 2D
-Used JOELib chemistry kernel (expert systems) ID is 715333816
- 13 13 0 0 0 0 0 0 0 0 1 V2000
- 13.6802 -4.2312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
- 14.7420 -3.6182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
- 15.8037 -4.2312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
- 15.8037 -5.4572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
- 14.7420 -6.0702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
- 13.6802 -5.4572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
- 16.8655 -3.6182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
- 16.8655 -6.0702 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
- 16.8655 -7.2963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
- 15.8037 -7.9093 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
- 17.9273 -7.9093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
- 17.9273 -4.2312 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
- 16.8655 -2.3922 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
- 2 1 2 0 0 0 0
- 3 2 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
- 6 1 1 0 0 0 0
- 7 3 1 0 0 0 0
- 8 4 1 0 0 0 0
- 9 8 1 0 0 0 0
- 10 9 2 0 0 0 0
- 11 9 1 0 0 0 0
- 12 7 1 0 0 0 0
- 13 7 2 0 0 0 0
-M END
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