- Require non-bonded atoms are further apart.
  - Accept a rotate if the congestion improvement is minimal but the overlap is resolved
  - Correct congestion update for distributed stretching

… degrees.

…ormat still read in.

…all hydrogen counts. We now set the default valence temporarily to produce nicer SMILES. This method is probably quite useful when we are chopping up molecules and may be moved to the SMILES generator in future.

…se those with more bonds.

…hexagonal grids.

…displeased results if the entire ring system wasn't mapped (#165) and since in that case we can use canonicalisation (Identity Templates) they are redundant.

… originally I skipped this for secondary ring systems used relative coordinates rather than absolute. On further inspection the SDG already rotates and shifts rings when attaching them so identity templates can be used here too.

…we don't have that option.

… the bond rather that the ring centre which in a crinkled macro cycle isn't ideal.

…y do better.

…est macro cycles).

…ed ring) so use the shared atom centre to work out direction.

…ms, these are normally depicted in a de facto orientation (e.g. steroid).

…mary.