Hi all,

for our workflow we need molecule drawings with all atoms (incl. Hs)
explicitly labeled. And every once in a while we run into molecules that
don't look so good.

I wonder if it's worth collecting them somewhere, maybe another github
repo under rdkit? -- for future developers of 2D layout algorithms.

Here's out latest one for example. The thing about this one is, the
molecule itself is not that bad, it not clear why the picture isn't any
better.

Enjoy. (Try it in OB if you think RDKit's pix is bad. ;)
-- 
Dimitri Maziuk
Programmer/sysadmin
BioMagResBank, UW-Madison -- http://www.bmrb.wisc.edu

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