Fix range error due to inconsistent rotable_bonds. #220
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When using PDBBind Datasets, it could cause some problems just like:
After checking process_mols.py, it is probably due to the inconsistency between mol_maybe_noh and mol_rdkit/mol.
For example, it is probable that mol removes more Hs than mol_maybe_noh due to 'AllChem.RemoveAllHs' function.
If still using rotable_bonds generated by mol_maybe_noh, there could be some bounds that do not included in mol.
And that's the reason why optimize_rotatable_bonds function could cause the error above.
By changing rotable_bounds, the error is fixed.