Dateien nach "Kaffee/xanthine" hochladen

2026-05-04 11:05:00 +02:00
parent 4110d16aeb
commit e1b05dd47b
3 changed files with 58 additions and 0 deletions
@@ -0,0 +1,17 @@
+15
+
+  N      1.505777    0.619423   -0.145919
+  C      1.704646   -0.754115   -0.378771
+  N      0.533913   -1.514399   -0.311838
+  C      0.320718    1.342814    0.139977
+  C     -0.801346    0.431476    0.176346
+  C     -0.687989   -0.942091   -0.043179
+  N     -2.147342    0.633908    0.409602
+  C     -2.750368   -0.587953    0.320747
+  N     -1.891594   -1.571856    0.046149
+  H     -3.830493   -0.718699    0.464806
+  O      2.801666   -1.233915   -0.617028
+  O      0.316348    2.556327    0.319089
+  H     -2.577580    1.538471    0.608057
+  H      0.621887   -2.518562   -0.475769
+  H      2.362966    1.177641   -0.194034