Datasets:

posebusters_docking / 6M73_FNR /6M73_input_conf_1.sdf
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Add batch 1
31b3394 verified
6M73_FNR_A_401
RDKit 3D
54 56 0 0 0 0 0 0 0 0999 V2000
-2.1488 -0.2068 -0.4609 C 0 0 0 0 0 0 0 0 0 0 0 0
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1.7344 -2.8431 -1.0237 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3125 -2.5107 1.6839 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0249 -0.6807 -1.5023 H 0 0 0 0 0 0 0 0 0 0 0 0
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3.4906 -0.1798 1.1013 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7514 -1.4061 0.9106 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1541 3.0951 0.0152 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6610 2.4871 -0.6807 H 0 0 0 0 0 0 0 0 0 0 0 0
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31 54 1 0
M END
$$$$