File: test6.xyz

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rdkit 202503.1-4
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file content (16 lines) | stat: -rw-r--r-- 576 bytes parent folder | download | duplicates (12) 
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CS(CC)(=O)=O
C     -1.780572   -0.103605    0.471664
S     -0.535853    0.958789   -0.229106
C      0.851423   -0.002516   -0.815475
C      1.547523   -0.727295    0.330043
O     -0.072097    1.938812    0.811724
O     -1.130717    1.712494   -1.384840
H     -2.047898   -0.894798   -0.258755
H     -1.395198   -0.572461    1.400118
H     -2.683705    0.493654    0.713776
H      1.574735    0.676731   -1.314232
H      0.491093   -0.744244   -1.559280
H      2.422835   -1.285771   -0.063196
H      1.903606    0.000904    1.089059
H      0.854827   -1.450695    0.808502