Dateien nach "Kaffee/theophylline" hochladen

2026-05-04 11:09:38 +02:00
parent 236d20afc1
commit 88f86bb683
5 changed files with 68 additions and 0 deletions
@@ -0,0 +1,23 @@
+21
+
+  N      1.535186    0.659188   -0.092161
+  C      1.702351   -0.744459   -0.132371
+  N      0.538881   -1.523625   -0.074608
+  C      0.310004    1.382420    0.002297
+  C     -0.805496    0.475123    0.053670
+  C     -0.691143   -0.913181    0.017710
+  N     -2.163623    0.711708    0.147088
+  C     -2.774799   -0.508716    0.161813
+  N     -1.910225   -1.521290    0.084557
+  C      0.677758   -2.973118   -0.113197
+  O      2.812366   -1.257783   -0.213613
+  O      0.256379    2.611584    0.032775
+  H      2.492861    2.497893   -0.106119
+  C      2.772829    1.431047   -0.152357
+  H     -3.864860   -0.616028    0.230499
+  H      1.184472   -3.287175   -1.046726
+  H     -0.335396   -3.409331   -0.062027
+  H      1.290105   -3.325433    0.740050
+  H      3.319548    1.212213   -1.090320
+  H      3.435069    1.163613    0.693859
+  H     -2.592517    1.637171    0.193533