Dateien nach "Kaffee/theobromine" hochladen

2026-05-04 11:08:05 +02:00
parent 58660318e7
commit 1bf681b9e0
5 changed files with 68 additions and 0 deletions
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+21
+
+  N      1.487283    0.623265   -0.140069
+  C      1.694362   -0.764857   -0.218007
+  N      0.531549   -1.543188   -0.127461
+  C      0.296402    1.368245    0.023369
+  C     -0.820849    0.461368    0.125782
+  C     -0.692406   -0.928877    0.045466
+  N     -2.179793    0.690137    0.274395
+  C     -2.767613   -0.542833    0.279124
+  N     -1.900101   -1.548172    0.140598
+  C      0.651606   -2.993460   -0.188192
+  O      2.807662   -1.252433   -0.359731
+  O      0.290805    2.597889    0.058428
+  C     -2.812385    1.986927    0.448294
+  H     -3.900326    1.883705    0.280118
+  H     -3.854527   -0.659011    0.386402
+  H      1.414434   -3.262032   -0.941470
+  H     -0.335976   -3.410154   -0.454358
+  H      0.969453   -3.409289    0.790616
+  H     -2.383623    2.709405   -0.270100
+  H     -2.633680    2.378034    1.470166
+  H      2.346681    1.174218   -0.220169