diff options
Diffstat (limited to 'java/resources/smartsEvaluation/pyrimidin_derivat.mol')
| -rw-r--r-- | java/resources/smartsEvaluation/pyrimidin_derivat.mol | 78 |
1 files changed, 0 insertions, 78 deletions
diff --git a/java/resources/smartsEvaluation/pyrimidin_derivat.mol b/java/resources/smartsEvaluation/pyrimidin_derivat.mol deleted file mode 100644 index 318bff6..0000000 --- a/java/resources/smartsEvaluation/pyrimidin_derivat.mol +++ /dev/null @@ -1,78 +0,0 @@ -pyrimidin_derivat
- -ISIS- 2D
-Used JOELib chemistry kernel (expert systems) ID is 715333816
- 36 37 0 0 0 0 0 0 0 0 1 V2000
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- 10.5243 -8.7857 0.5301 C 0 0 0 0 0 0 0 0 0 0 0 0
- 11.6401 -6.6868 0.4111 C 0 0 0 0 0 0 0 0 0 0 0 0
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- 19.2752 -6.7297 0.7868 C 0 0 0 0 0 0 0 0 0 0 0 0
- 19.3457 -9.7253 0.5930 Cl 0 0 0 0 0 0 0 0 0 0 0 0
- 16.8281 -4.9848 0.6134 Cl 0 0 0 0 0 0 0 0 0 0 0 0
- 14.2691 -10.6655 0.9889 C 0 0 0 0 0 0 0 0 0 0 0 0
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- 20.0036 -7.2693 0.3644 H 0 0 0 0 0 0 0 0 0 0 0 0
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- 15.1674 -11.1012 0.9317 H 0 0 0 0 0 0 0 0 0 0 0 0
- 12.8190 -12.0628 1.5379 H 0 0 0 0 0 0 0 0 0 0 0 0
- 13.5908 -12.4537 0.1528 H 0 0 0 0 0 0 0 0 0 0 0 0
- 12.4570 -11.2771 0.1528 H 0 0 0 0 0 0 0 0 0 0 0 0
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- 36 21 1 0 0 0 0
-M END
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