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	data/MD/5202/MD_1086845055867124744315202.json | null | null | null | 
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	DS_632yputkfhpg_0 | 1 | 
	ORCA 5.0 | 
	DFT-PBE-D3 | -9,390.856673 | 
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	[] | null | null | null | null | null | null | 5.731368 | 2.1403 | null | 
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