File: test3.xyz

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rdkit 202503.1-4
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file content (17 lines) | stat: -rw-r--r-- 617 bytes parent folder | download | duplicates (8) 
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C=C([NH3+])CC
C     -1.032255    1.115769    0.775155
C     -0.587237   -0.037741    0.252336
N     -1.505505   -0.907159   -0.436791
C      0.867685   -0.423258    0.406569
C      1.755144    0.398168   -0.524109
H     -2.075346    1.399982    0.675918
H     -0.361680    1.783862    1.307371
H     -1.936021   -0.391391   -1.238179
H     -2.253938   -1.215751    0.225048
H     -1.016391   -1.751502   -0.810541
H      1.188787   -0.270604    1.460085
H      1.010465   -1.499883    0.173326
H      1.448577    0.244515   -1.580908
H      1.685984    1.478520   -0.275536
H      2.811733    0.076474   -0.409743