Improve CJSON readability while maintaining size

[matterhorn103]

See OpenChemistry/molecules#5 for the background.

[ghutchis]

I unfortunately introduced a merge conflict when fixing up atom order. (The acetylene and ethylene were ending up on top of the metal atoms.)

This LGTM - please add the script to the repo and consider dropping all partialCharge bits, since they are irrelevant in fragments (i.e., invalidated as soon as they are added to the molecule)

[matterhorn103]

I'll sort it.

[ghutchis]

We could actually revert to your version - I fixed it in code as well (e.g., any of those haptic ligands could have trouble because the code might pick the wrong dummy atom to attach)

But it's worth stripping the partialCharge key - just wasted space. And if you want to round off the coordinates a bit to save space, I wouldn't say no. 😉