diff options
Diffstat (limited to 'java/resources/smartsEvaluation/TEST_2.mol')
| -rw-r--r-- | java/resources/smartsEvaluation/TEST_2.mol | 36 |
1 files changed, 0 insertions, 36 deletions
diff --git a/java/resources/smartsEvaluation/TEST_2.mol b/java/resources/smartsEvaluation/TEST_2.mol deleted file mode 100644 index b4f0bb5..0000000 --- a/java/resources/smartsEvaluation/TEST_2.mol +++ /dev/null @@ -1,36 +0,0 @@ -TEST_2
- -ISIS- 2D
-Used JOELib chemistry kernel (expert systems) ID is 715333816
- 15 16 0 0 0 0 0 0 0 0999V2000
- 14.0242 -6.4270 0.0000 P 0 0 0 1 0 0 1 0 0 0 0 0
- 14.0242 -5.1384 0.0000 O 0 0 0 1 0 0 1 0 0 0 0 0
- 12.7356 -6.4270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
- 14.0242 -7.7156 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
- 15.3129 -6.4270 0.0000 C 0 0 0 1 0 0 1 0 0 0 0 0
- 15.9572 -5.3110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
- 15.9572 -7.5430 0.0000 C 0 0 0 1 0 0 1 0 0 0 0 0
- 17.2458 -5.3110 0.0000 C 0 0 0 1 0 0 1 0 0 0 0 0
- 15.3129 -8.6590 0.0000 O 0 0 0 1 0 0 1 0 0 0 0 0
- 17.2458 -7.5430 0.0000 O 0 0 0 1 0 0 1 0 0 0 0 0
- 17.8901 -6.4270 0.0000 C 0 0 0 1 0 0 1 0 0 0 0 0
- 17.8901 -4.1950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
- 19.1788 -6.4270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
- 19.1788 -4.1950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
- 19.8231 -5.3110 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
- 1 4 1 0 0 0 0
- 1 5 1 0 0 0 0
- 5 6 2 0 0 0 0
- 5 7 1 0 0 0 0
- 6 8 1 0 0 0 0
- 7 9 2 0 0 0 0
- 7 10 1 0 0 0 0
- 8 11 2 0 0 0 0
- 8 12 1 0 0 0 0
- 10 11 1 0 0 0 0
- 11 13 1 0 0 0 0
- 12 14 2 0 0 0 0
- 13 15 2 0 0 0 0
- 14 15 1 0 0 0 0
-M END
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