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formaldehyde.pdb 480 Bytes
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John Chodera's avatar
Add missing test PDB file  
John Chodera committed
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REMARK   1 CREATED WITH OPENMM 7.4, 2020-01-04
HETATM    1          A   1       0.095   0.011   0.000  1.00  0.00           C  
HETATM    2          A   1       0.513  -1.098  -0.004  1.00  0.00           O  
HETATM    3          A   1      -1.098   0.149   0.015  1.00  0.00           H  
HETATM    4          A   1       0.590   0.938  -0.011  1.00  0.00           H  
TER       5          A   1
CONECT    1    2    3    4
CONECT    2    1
CONECT    3    1
CONECT    4    1
END