File: test18.xyz

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rdkit 202503.1-5
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file content (21 lines) | stat: -rw-r--r-- 790 bytes parent folder | download | duplicates (10)
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O=C(C=C1)C=CC1=CCC([O-])=O
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C     -2.956965    0.478530   -0.405820
C     -2.634526   -0.791445    0.266033
C     -1.362499   -1.122188    0.508373
C     -1.869312    1.385075   -0.810676
C     -0.594668    1.060863   -0.571546
C     -0.253103   -0.220338    0.107164
C      1.015681   -0.583640    0.366063
C      2.209188    0.257970    0.000853
C      3.479937   -0.415329    0.412416
O      4.107491   -1.303770   -0.451629
O      3.960789   -0.215005    1.558817
H     -3.431720   -1.460640    0.565210
H     -1.150146   -2.062222    1.004178
H     -2.103742    2.319776   -1.304993
H      0.178270    1.751246   -0.883005
H      1.193397   -1.531714    0.864271
H      2.229100    0.419200   -1.098377
H      2.138908    1.245935    0.505600