File: Ts.1.sdf

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file content (20 lines) | stat: -rwxr-xr-x 552 bytes parent folder | download | duplicates (8)
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Structure1
csChFnd70/05230312262D

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    1.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
A    5
X
M  END
>  <ID> (3)
Lig1

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