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pose1_H.sdf
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pose1_H.sdf
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M END
> <minimizedAffinity> (1)
-12.22471
> <CNNscore> (1)
0.9830145836
> <CNNaffinity> (1)
8.4029960632
> <CNN_VS> (1)
8.2602672577
> <CNNaffinity_variance> (1)
0.4278099537
$$$$