Datasets:

posebusters_docking / 6M73_FNR /6M73_input_conf_0.sdf
linbc20's picture
Add batch 1
31b3394 verified
6M73_FNR_A_401
RDKit 3D
54 56 0 0 0 0 0 0 0 0999 V2000
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1.4402 -1.1996 0.5122 H 0 0 0 0 0 0 0 0 0 0 0 0
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2.5047 -0.9400 2.7924 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5036 1.2731 2.8042 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7449 -2.2010 1.0553 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7307 -1.4367 2.3000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3612 0.7193 -1.7175 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5197 -2.7185 -1.5453 H 0 0 0 0 0 0 0 0 0 0 0 0
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M END
$$$$