Datasets:

posebusters_docking / 6YRV_PJ8 /6YRV_input_conf_4.sdf
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Add batch 3
73271a2 verified
6YRV_PJ8_AAA_802
RDKit 3D
53 52 0 0 0 0 0 0 0 0999 V2000
6.5905 -2.5073 -0.2682 C 0 0 0 0 0 0 0 0 0 0 0 0
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2.3284 2.4007 2.0760 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3290 0.9793 2.5062 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9455 -0.2463 1.4018 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7381 1.3164 -0.5126 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3435 2.6425 0.5774 H 0 0 0 0 0 0 0 0 0 0 0 0
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-5.8113 -0.6062 0.3996 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.0187 1.0378 -0.1976 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.1858 0.0083 0.0115 H 0 0 0 0 0 0 0 0 0 0 0 0
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M END
$$$$