Dipole moment for 2i65: 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 2014. 249. 285.27 31. 35. -4. 584. 2249.-0.0020 0.2902
No.Dev.Units 0.21 0.16 0.16 0.38 0.36 -0.10 0.10 -0.06 -0.10 -0.28
Dipole vector (in atomic units): 99.10 -45.60 53.93
Mass Moments vector: 474.01 588.87 401.18
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