diff options
Diffstat (limited to 'java/resources/smartsEvaluation/5-[1-cyclobutyl-2-[(hydroxythio)oxy]-1-(3-methylaziridin-2-yl)propyl]-1,3-azaphosphinane.mol')
| -rw-r--r-- | java/resources/smartsEvaluation/5-[1-cyclobutyl-2-[(hydroxythio)oxy]-1-(3-methylaziridin-2-yl)propyl]-1,3-azaphosphinane.mol | 49 |
1 files changed, 49 insertions, 0 deletions
diff --git a/java/resources/smartsEvaluation/5-[1-cyclobutyl-2-[(hydroxythio)oxy]-1-(3-methylaziridin-2-yl)propyl]-1,3-azaphosphinane.mol b/java/resources/smartsEvaluation/5-[1-cyclobutyl-2-[(hydroxythio)oxy]-1-(3-methylaziridin-2-yl)propyl]-1,3-azaphosphinane.mol new file mode 100644 index 0000000..5a0d35f --- /dev/null +++ b/java/resources/smartsEvaluation/5-[1-cyclobutyl-2-[(hydroxythio)oxy]-1-(3-methylaziridin-2-yl)propyl]-1,3-azaphosphinane.mol @@ -0,0 +1,49 @@ +5-[1-cyclobutyl-2-[(hydroxythio)oxy]-1-(3-methylaziridin-2-yl)propyl]-1,3-azaphosphinane
+ -ISIS- 2D
+Used JOELib chemistry kernel (expert systems) ID is 715333816
+ 21 23 0 0 0 0 0 0 0 0 1 V2000
+ 14.4588 -9.9742 0.1275 O 0 0 0 0 0 0 0 0 0 0 0 0
+ 14.0084 -9.0071 0.1648 S 0 0 0 0 0 0 0 0 0 0 0 0
+ 14.9065 -7.4627 -0.3333 O 0 0 0 0 0 0 0 0 0 0 0 0
+ 15.8063 -7.8254 -0.5992 C 0 0 0 0 0 0 0 0 0 0 0 0
+ 16.6675 -7.1375 -0.9800 C 0 0 0 0 0 0 0 0 0 0 0 0
+ 16.1948 -8.7445 -0.6210 C 0 0 0 0 0 0 0 0 0 0 0 0
+ 17.7874 -6.5911 -1.4328 C 0 0 0 0 0 0 0 0 0 0 0 0
+ 16.8956 -4.9493 -1.3257 C 0 0 0 0 0 0 0 0 0 0 0 0
+ 17.6846 -4.3295 -1.6733 C 0 0 0 0 0 0 0 0 0 0 0 0
+ 16.3954 -3.9491 -1.2754 N 0 0 0 0 0 0 0 0 0 0 0 0
+ 18.0849 -5.4216 -1.6781 C 0 0 0 0 0 0 0 0 0 0 0 0
+ 18.8313 -5.8972 -1.8774 C 0 0 0 0 0 0 0 0 0 0 0 0
+ 18.9739 -4.9793 -2.0385 C 0 0 0 0 0 0 0 0 0 0 0 0
+ 14.5343 -4.5242 -0.5636 C 0 0 0 0 0 0 0 0 0 0 0 0
+ 13.4972 -4.7288 -0.1811 C 0 0 0 0 0 0 0 0 0 0 0 0
+ 14.6782 -3.1645 -0.7588 C 0 0 0 0 0 0 0 0 0 0 0 0
+ 13.8767 -2.5753 -0.4658 P 0 0 0 0 0 0 0 0 0 0 0 0
+ 12.5866 -3.8311 0.0233 N 0 0 0 0 0 0 0 0 0 0 0 0
+ 12.8387 -2.9265 -0.0507 C 0 0 0 0 0 0 0 0 0 0 0 0
+ 18.7675 -3.8872 -1.9869 C 0 0 0 0 0 0 0 0 0 0 0 0
+ 14.3640 -11.6660 0.1275 H 0 0 0 0 0 0 0 0 0 0 0 0
+ 3 2 1 0 0 0 0
+ 4 3 1 0 0 0 0
+ 5 4 1 0 0 0 0
+ 6 4 1 0 0 0 0
+ 7 5 1 0 0 0 0
+ 8 5 1 0 0 0 0
+ 9 8 1 0 0 0 0
+ 10 8 1 0 0 0 0
+ 10 9 1 0 0 0 0
+ 11 7 1 0 0 0 0
+ 12 7 1 0 0 0 0
+ 13 12 1 0 0 0 0
+ 13 11 1 0 0 0 0
+ 14 5 1 0 0 0 0
+ 15 14 1 0 0 0 0
+ 16 14 1 0 0 0 0
+ 17 16 1 0 0 0 0
+ 18 15 1 0 0 0 0
+ 19 18 1 0 0 0 0
+ 19 17 1 0 0 0 0
+ 1 2 1 0 0 0 0
+ 20 9 1 0 0 0 0
+ 21 1 1 0 0 0 0
+M END
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