diff options
Diffstat (limited to 'java/resources/smartsEvaluation/hydroxylamin_H.mol')
| -rw-r--r-- | java/resources/smartsEvaluation/hydroxylamin_H.mol | 27 |
1 files changed, 27 insertions, 0 deletions
diff --git a/java/resources/smartsEvaluation/hydroxylamin_H.mol b/java/resources/smartsEvaluation/hydroxylamin_H.mol new file mode 100644 index 0000000..7e28ce7 --- /dev/null +++ b/java/resources/smartsEvaluation/hydroxylamin_H.mol @@ -0,0 +1,27 @@ +hydroxylamin_H
+ -ISIS- 2D
+Used JOELib chemistry kernel (expert systems) ID is 715333816
+ 11 10 0 0 0 0 0 0 0 0 1 V2000
+ 6.5867 -8.3727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
+ 5.6873 -6.8780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
+ 8.3727 -8.3727 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
+ 9.8800 -8.6767 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
+ 6.2741 -8.9255 0.8981 H 0 0 0 0 0 0 0 0 0 0 0 0
+ 6.3452 -8.7998 -0.9845 H 0 0 0 0 0 0 0 0 0 0 0 0
+ 4.6095 -7.0980 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
+ 5.9427 -6.2965 0.8981 H 0 0 0 0 0 0 0 0 0 0 0 0
+ 5.9426 -6.2968 -0.8984 H 0 0 0 0 0 0 0 0 0 0 0 0
+ 8.4318 -7.7810 -0.8410 H 0 0 0 0 0 0 0 0 0 0 0 0
+ 10.0194 -9.6568 0.0000 H 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
+ 1 5 1 0 0 0 0
+ 1 6 1 0 0 0 0
+ 2 7 1 0 0 0 0
+ 2 8 1 0 0 0 0
+ 2 9 1 0 0 0 0
+ 4 3 1 0 0 0 0
+ 3 10 1 0 0 0 0
+ 4 11 1 0 0 0 0
+M END
+$$$$
|