Dateien nach "Vanilla/3,4-Dihydroxybenzaldehyd" hochladen

2026-07-16 13:32:58 +02:00
parent 2fc475a38c
commit 00fbb99ebb
5 changed files with 4647 additions and 2091 deletions
@@ -1,18 +1,18 @@
 16

-  O     -2.910521   -0.398302   -0.222661
-  C     -1.515776   -0.342989   -0.146898
-  C     -0.739792   -1.466805    0.064326
-  C      0.636372   -1.412144    0.139075
-  C      1.265810   -0.169243   -0.005078
-  C      2.737569   -0.072590    0.069265
-  O      3.295908    1.064668   -0.063716
-  C      0.521664    0.974759   -0.217344
-  C     -0.870747    0.877494   -0.286829
-  O     -1.605308    2.040474   -0.501300
-  H     -3.497447    0.008311    0.508838
-  H     -1.245858   -2.434069    0.175530
-  H      1.217554   -2.319543    0.306898
-  H      3.302301   -0.980895    0.236245
-  H      1.035396    1.923210   -0.325342
-  H     -1.627126    2.707665    0.268992
+  O     -2.901107   -0.516925    0.014877
+  C     -1.554445   -0.417131    0.018622
+  C     -0.746054   -1.561417    0.110896
+  C      0.647893   -1.429232    0.112303
+  C      1.246837   -0.157587    0.021780
+  C      2.715112   -0.011057    0.023231
+  O      3.311932    1.053959   -0.050869
+  C      0.434785    0.998108   -0.071372
+  C     -0.948367    0.871045   -0.073112
+  O     -1.847214    1.902543   -0.158109
+  H     -3.250413    0.397192   -0.055969
+  H     -1.236161   -2.543073    0.180493
+  H      1.287639   -2.323170    0.184463
+  H      3.276076   -0.992237    0.101080
+  H      0.933887    1.978757   -0.141086
+  H     -1.370400    2.750226   -0.217228