Datasets:

posebusters_docking / 6YRV_PJ8 /6YRV_input_conf_8.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
5.5966 -1.6655 -1.8938 C 0 0 0 0 0 0 0 0 0 0 0 0
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0.9423 3.4508 1.3497 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0520 2.1198 3.1919 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0976 0.7650 2.8309 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4607 0.9787 2.0056 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7441 1.8126 0.6338 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1120 -1.0338 1.6053 H 0 0 0 0 0 0 0 0 0 0 0 0
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-3.7125 1.1380 -1.1409 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.0387 1.6434 -0.6753 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.5751 0.2168 0.2352 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.7457 -1.2422 -1.4136 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.1214 0.1756 -2.4147 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.8347 0.0067 -0.8021 H 0 0 0 0 0 0 0 0 0 0 0 0
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M END
$$$$