diff options
| author | rautenberg <rautenberg@in-silico.ch> | 2012-07-13 09:36:44 +0200 |
|---|---|---|
| committer | rautenberg <rautenberg@in-silico.ch> | 2012-07-13 09:36:44 +0200 |
| commit | 9d0d9642ac0514fabc936dd4c69af33a0360d1b7 (patch) | |
| tree | 1dcee6f7878ba3f19f0e8b2ed0f418efdd8cb1b9 /java/resources/smartsEvaluation/5-cyclobutyl-2-cycloheptylphosphinane.mol | |
| parent | 6dc3e7443093d6613d3db40eb610fc4d3da4988d (diff) | |
| parent | bc73e239d9bce83f008314415246802a9151ae3f (diff) | |
Merge branch 'release/v3.2.0'v4.0.0
Diffstat (limited to 'java/resources/smartsEvaluation/5-cyclobutyl-2-cycloheptylphosphinane.mol')
| -rw-r--r-- | java/resources/smartsEvaluation/5-cyclobutyl-2-cycloheptylphosphinane.mol | 41 |
1 files changed, 41 insertions, 0 deletions
diff --git a/java/resources/smartsEvaluation/5-cyclobutyl-2-cycloheptylphosphinane.mol b/java/resources/smartsEvaluation/5-cyclobutyl-2-cycloheptylphosphinane.mol new file mode 100644 index 0000000..c23c0da --- /dev/null +++ b/java/resources/smartsEvaluation/5-cyclobutyl-2-cycloheptylphosphinane.mol @@ -0,0 +1,41 @@ +5-cyclobutyl-2-cycloheptylphosphinane
+ -ISIS- 2D
+Used JOELib chemistry kernel (expert systems) ID is 715333816
+ 17 19 0 0 0 0 0 0 0 0 1 V2000
+ 11.5601 -7.2473 -0.7307 C 0 0 0 0 0 0 0 0 0 0 0 0
+ 11.9182 -5.7812 -0.8202 C 0 0 0 0 0 0 0 0 0 0 0 0
+ 12.8945 -6.3064 -0.7134 C 0 0 0 0 0 0 0 0 0 0 0 0
+ 13.0579 -5.1632 -0.7910 C 0 0 0 0 0 0 0 0 0 0 0 0
+ 14.1518 -6.8939 -0.2466 C 0 0 0 0 0 0 0 0 0 0 0 0
+ 13.9384 -7.7871 -0.0697 C 0 0 0 0 0 0 0 0 0 0 0 0
+ 15.1751 -6.6864 -0.0435 C 0 0 0 0 0 0 0 0 0 0 0 0
+ 15.6125 -7.4850 0.2722 C 0 0 0 0 0 0 0 0 0 0 0 0
+ 14.6013 -8.5627 0.2967 P 0 0 0 0 0 0 0 0 0 0 0 0
+ 15.4289 -8.6482 0.5263 C 0 0 0 0 0 0 0 0 0 0 0 0
+ 15.3401 -9.4580 0.7129 C 0 0 0 0 0 0 0 0 0 0 0 0
+ 14.3497 -10.0100 0.6071 C 0 0 0 0 0 0 0 0 0 0 0 0
+ 16.0690 -10.3513 1.1261 C 0 0 0 0 0 0 0 0 0 0 0 0
+ 13.7372 -10.8208 0.6625 C 0 0 0 0 0 0 0 0 0 0 0 0
+ 16.0702 -11.4419 1.4078 C 0 0 0 0 0 0 0 0 0 0 0 0
+ 14.2826 -11.6494 1.0131 C 0 0 0 0 0 0 0 0 0 0 0 0
+ 15.1815 -11.8748 1.2967 C 0 0 0 0 0 0 0 0 0 0 0 0
+ 2 1 1 0 0 0 0
+ 3 1 1 0 0 0 0
+ 4 3 1 0 0 0 0
+ 4 2 1 0 0 0 0
+ 5 3 1 0 0 0 0
+ 6 5 1 0 0 0 0
+ 7 5 1 0 0 0 0
+ 8 7 1 0 0 0 0
+ 9 6 1 0 0 0 0
+ 10 9 1 0 0 0 0
+ 10 8 1 0 0 0 0
+ 11 10 1 0 0 0 0
+ 12 11 1 0 0 0 0
+ 13 11 1 0 0 0 0
+ 14 12 1 0 0 0 0
+ 15 13 1 0 0 0 0
+ 16 14 1 0 0 0 0
+ 17 16 1 0 0 0 0
+ 17 15 1 0 0 0 0
+M END
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