295 lines (288 with data), 9.7 kB

1imx_ligand

Created by X-TOOL on Fri Sep 26 17:34:19 2014
135138  0  0  0  0  0  0  0  0999 V2000
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M  END
> <MOLECULAR_FORMULA>
C42H75N3O15

> <MOLECULAR_WEIGHT>
861.5

> <NUM_HB_ATOMS>
17 

> <NUM_ROTOR>
22 

> <XLOGP2>
-2.23

$$$$