Dateien nach "Kaffee/3-methylxanthine" hochladen

2026-05-04 11:13:24 +02:00
parent e88d079a95
commit 25ae17d4e6
5 changed files with 52 additions and 0 deletions
@@ -0,0 +1,20 @@
+18
+
+  N      1.497562    0.608209   -0.119171
+  C      1.705370   -0.778038   -0.227915
+  N      0.545925   -1.562522   -0.130569
+  C      0.308976    1.347750    0.085644
+  C     -0.803521    0.432361    0.176084
+  C     -0.675675   -0.954712    0.073567
+  N     -2.154986    0.646215    0.361987
+  C     -2.751558   -0.581191    0.361583
+  N     -1.882911   -1.578290    0.189173
+  C      0.671798   -3.011309   -0.214505
+  O      2.816270   -1.261036   -0.398091
+  O      0.294848    2.572700    0.163682
+  H      1.027793   -3.437141    0.746610
+  H      2.356349    1.160745   -0.195621
+  H     -3.833974   -0.706592    0.492659
+  H      1.407886   -3.266588   -0.998496
+  H     -0.322247   -3.430646   -0.450390
+  H     -2.591718    1.562190    0.476217