[3b722e]: / tests / data / pdbbind / 1nlp / 1nlp_ligand.sdf

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1nlp_ligand

Created by X-TOOL on Fri Sep 26 17:34:13 2014
156163  0  0  0  0  0  0  0  0999 V2000
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M  END
> <MOLECULAR_FORMULA>
C56H80N10O9S

> <MOLECULAR_WEIGHT>
1068.7

> <NUM_HB_ATOMS>
13 

> <NUM_ROTOR>
15 

> <XLOGP2>
3.98 

$$$$