Adding functional groups like NH2 to MOFs crystals using Materials Studio, I have succeeded in changing ortho Hydrogen atoms in the Benzene rings to NH2. However, each time, I click on 1P1 via Build crystals, the conformation of the attached NH2 group changes. Instead of C-NH2 bonds, it turns to C-H-NH2 bonds. I have worked hard to fix this issue, but the problem still lingers.

Please kindly proffer a solution to aid me rectify it and move forward.

I have attached the initial and final copies for better understanding of what I meant.

Thanks.