Dear all,
Thank you for your advices.
I had tried to use MPD and pyrophosphate etc to fix the density map but all of 
them were too small.
We guess that the molecular formula should be C8H18O2. So we search this 
formula in google and find two candidate molecules
1: http://flyingexport.en.ecplaza.net/dhad-99-5--137042-689140.html
2: http://en.m.wikipedia.org/wiki/Di-tert-butyl_peroxide
Could you tell me how to get the coordinate of these molecules?
Thank you for your time!
Wei


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