<div dir="ltr">Hello,<div><br></div><div>The HEM.cif in $Phenix/chem_data/mon_lib</div><div>has ideal angles of 1.337 for single bonds on the vinyl groups.</div><div><br></div><div>HEM CAC CBC coval 1.337 0.02<br>
</div><div><br></div><div>HEM CAB CBB coval 1.337 0.02<br></div><div><br></div><div>As far as I know these are single bonds and the ideal bond angles should be around 1.5.</div><div><br></div><div>-Yarrow</div>
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