File: test25.xyz

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rdkit 202503.1-5
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file content (16 lines) | stat: -rw-r--r-- 595 bytes parent folder | download | duplicates (10) 
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O=C([CH-]C=CC(C([O-])=O)=O)[O-]
O      3.081979   -0.910391    1.677128
C      3.102618   -0.037240    0.769824
C      1.866045    0.376439    0.095699
C      0.559028   -0.203779    0.445152
C     -0.555736    0.186885   -0.181079
C     -1.883302   -0.376236    0.146504
C     -3.090578    0.076475   -0.562614
O     -4.328166   -0.465982   -0.238966
O     -3.017466    0.953470   -1.463651
O     -1.996602   -1.256209    1.042775
O      4.310624    0.540930    0.403109
H      1.929675    1.130954   -0.679357
H      0.511403   -0.957159    1.222164
H     -0.489521    0.941843   -0.956092