Dateien nach "Kaffee/1-methylxanthine" hochladen

2026-05-04 11:12:16 +02:00
parent 3a3f1777b1
commit 53469e5027
5 changed files with 61 additions and 0 deletions
@@ -0,0 +1,20 @@
+18
+
+  N      1.529724    0.643632   -0.265852
+  C      1.699643   -0.754039   -0.440578
+  N      0.536794   -1.514182   -0.307519
+  C      0.320140    1.339146    0.024482
+  C     -0.792607    0.428692    0.133124
+  C     -0.683245   -0.949243   -0.029665
+  N     -2.132031    0.640651    0.396089
+  C     -2.733905   -0.585532    0.378040
+  N     -1.880869   -1.579441    0.121067
+  H     -3.808961   -0.711549    0.559150
+  O      2.780461   -1.271040   -0.689946
+  O      0.291372    2.561178    0.154529
+  H     -2.556850    1.553173    0.567286
+  C      2.720749    1.479385   -0.393351
+  H      3.575774    0.816768   -0.607859
+  H      2.583466    2.215869   -1.209081
+  H      2.890024    2.045227    0.543429
+  H      0.637331   -2.522532   -0.434301