Dipole moment for 2i66: STRUCTURAL BASIS FOR THE MECHANISTIC UNDERSTANDING HUMA CD38 CONTROLLED MULTIPLE CATALYSIS

No. of Chains=1Elongated STRUCTURAL BASIS FOR THE MECHANISTIC UNDERSTANDING HUMA CD38 CONTROLLED MULTIPLE CATALYSIS
No.AtomsNo.Res.RMPos.Res.Neg.Res.ChargeDipoleQuadrapoleCrg./Nat.Dip./Nat.
Value 2050. 252. 296.97 32. 36. -3. 914. 1319.-0.0015 0.4459
No.Dev.Units 0.24 0.18 0.23 0.44 0.41 0.03 0.89 -0.34 -0.01 0.27
Dipole vector (in atomic units): 147.08 -96.57 72.51
Mass Moments vector: 501.02 613.26 408.19
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