Dateien nach "Vanilla/m-Coumaricacid" hochladen

2026-07-16 14:07:12 +02:00
parent 39b3b7b8a5
commit d974f3d1ec
5 changed files with 261 additions and 0 deletions
@@ -0,0 +1,22 @@
+20
+
+  O      4.579374    0.385663   -0.048745
+  C      3.544755   -0.498489    0.016542
+  C      2.239493    0.193213   -0.040537
+  C      1.090098   -0.526312    0.010773
+  C     -0.282443   -0.025993   -0.031257
+  C     -0.601400    1.349489   -0.133565
+  C     -1.939905    1.755993   -0.168112
+  C     -2.983250    0.821444   -0.102963
+  C     -2.682165   -0.551593   -0.001128
+  O     -3.722041   -1.425720    0.059106
+  C     -1.338534   -0.964391    0.034165
+  O      3.718244   -1.704662    0.110051
+  H      5.389833   -0.166187   -0.003387
+  H      2.256300    1.290166   -0.124288
+  H      1.214014   -1.620948    0.094671
+  H      0.200834    2.098839   -0.185567
+  H     -2.182420    2.826602   -0.247704
+  H     -4.037675    1.131754   -0.129482
+  H     -3.364965   -2.330855    0.126202
+  H     -1.098149   -2.038012    0.114320