File: test2.xyz

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rdkit 202503.6-3
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file content (14 lines) | stat: -rw-r--r-- 495 bytes parent folder | download | duplicates (10) 
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C=C([O-])CC
C      1.808852   -0.342704   -0.128704
C      0.835633    0.239515    0.569445
O      0.972220    0.381728    1.945664
C     -0.422556    0.715722   -0.097762
C     -1.446455   -0.410629   -0.189068
H      2.704640   -0.691225    0.369105
H      1.721574   -0.480079   -1.199393
H     -0.200935    1.100349   -1.117578
H     -0.854538    1.552627    0.491897
H     -1.699414   -0.785107    0.825998
H     -2.373186   -0.032394   -0.669734
H     -1.045835   -1.247803   -0.799869