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. 2014 Mar 5;118(12):3245–3256. doi: 10.1021/jp4076299

Figure 3.

Figure 3

Optimized geometries, relevant spin populations, and bond lengths (Å) of (a) epoxide intermediate obtained for the smallest model of NBDO active site; (b) epoxide intermediate for model 2, additionally containing Asn258 residue.