223 lines (216 with data), 7.2 kB

1k9q_ligand

Created by X-TOOL on Fri Sep 26 17:34:19 2014
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M  END
> <MOLECULAR_FORMULA>
C34H53N6O6

> <MOLECULAR_WEIGHT>
641.4

> <NUM_HB_ATOMS>
9  

> <NUM_ROTOR>
16 

> <XLOGP2>
2.67 

$$$$