diff options
Diffstat (limited to 'java/resources/smartsEvaluation/4-chlorpyrimidin_h.mol')
| -rw-r--r-- | java/resources/smartsEvaluation/4-chlorpyrimidin_h.mol | 25 |
1 files changed, 0 insertions, 25 deletions
diff --git a/java/resources/smartsEvaluation/4-chlorpyrimidin_h.mol b/java/resources/smartsEvaluation/4-chlorpyrimidin_h.mol deleted file mode 100644 index 2473f33..0000000 --- a/java/resources/smartsEvaluation/4-chlorpyrimidin_h.mol +++ /dev/null @@ -1,25 +0,0 @@ -4-chlorpyrimidin_h
- -ISIS- 2D
-Used JOELib chemistry kernel (expert systems) ID is 715333816
- 10 10 0 0 0 0 0 0 0 0 1 V2000
- 14.5058 -5.0464 0.3676 C 0 0 0 0 0 0 0 0 0 0 0 0
- 14.5546 -6.4262 0.3240 C 0 0 0 0 0 0 0 0 0 0 0 0
- 15.6762 -4.3264 0.2263 C 0 0 0 0 0 0 0 0 0 0 0 0
- 16.8812 -4.9799 0.0436 N 0 0 0 0 0 0 0 0 0 0 0 0
- 16.9301 -6.3597 -0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
- 15.7596 -7.0792 0.1412 N 0 0 0 0 0 0 0 0 0 0 0 0
- 15.6340 -2.6078 0.2781 Cl 0 0 0 0 0 0 0 0 0 0 0 0
- 13.6340 -4.5747 0.4998 H 0 0 0 0 0 0 0 0 0 0 0 0
- 13.7123 -6.9556 0.4253 O 0 0 0 0 0 0 0 0 0 0 0 0
- 17.8018 -6.8316 -0.1321 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2 1 2 0 0 0 0
- 3 1 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 2 1 0 0 0 0
- 7 3 1 0 0 0 0
- 8 1 1 0 0 0 0
- 9 2 1 0 0 0 0
- 10 5 1 0 0 0 0
-M END
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