diff options
Diffstat (limited to 'java/resources/smartsEvaluation/TEST_1.mol')
-rw-r--r-- | java/resources/smartsEvaluation/TEST_1.mol | 31 |
1 files changed, 0 insertions, 31 deletions
diff --git a/java/resources/smartsEvaluation/TEST_1.mol b/java/resources/smartsEvaluation/TEST_1.mol deleted file mode 100644 index 64363b1..0000000 --- a/java/resources/smartsEvaluation/TEST_1.mol +++ /dev/null @@ -1,31 +0,0 @@ -TEST_1
- -ISIS- 2D
-Used JOELib chemistry kernel (expert systems) ID is 715333816
- 13 13 0 0 0 0 0 0 0 0 1 V2000
- 3.9852 0.2487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.1152 0.7487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
- 2.2552 0.2487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
- 2.2552 -0.7513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
- 1.3884 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
- 0.5199 -0.7474 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
- 1.3864 -2.2448 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
- 3.1152 -1.2513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.9852 -0.7513 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
- 4.8507 0.7496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
- 4.8503 1.7444 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
- 3.9805 2.2448 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
- 5.7205 0.2492 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 4 0 0 0 0
- 9 1 4 0 0 0 0
- 1 10 1 0 0 0 0
- 2 3 4 0 0 0 0
- 3 4 4 0 0 0 0
- 4 5 1 0 0 0 0
- 4 8 4 0 0 0 0
- 5 6 1 0 0 0 0
- 5 7 2 0 0 0 0
- 8 9 4 0 0 0 0
- 10 11 1 0 0 0 0
- 10 13 2 0 0 0 0
- 11 12 1 0 0 0 0
-M END
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