Dear All,

I sincerely appreciate everyone’s contributions and suggestions—the issue has 
now been resolved!

Following Oliver's instructions, I used the Grad Web Server to obtain the 
coordinates and restraint files for input, then adjusted the conformation using 
real-space refinement in Coot. The input ligand now has restraints and can be 
refined via Refmac.

Thank you all again for your invaluable support.

Best regards,
Martin

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