Dipole moment for 2bu6: CRYSTAL STRUCTURES OF HUMAN PYRUVATE DEHYDROGENASE KINA PHYSIOLOGICAL AND SYNTHETIC LIGANDS

No. of Chains=1Spherical CRYSTAL STRUCTURES OF HUMAN PYRUVATE DEHYDROGENASE KINA PHYSIOLOGICAL AND SYNTHETIC LIGAND
No.AtomsNo.Res.RMPos.Res.Neg.Res.ChargeDipoleQuadrapoleCrg./Nat.Dip./Nat.
Value 2846. 354. 390.00 35. 43. -7. 511. 2585.-0.0025 0.1796
No.Dev.Units 0.92 0.87 0.85 0.62 0.76 -0.49 -0.08 0.04 -0.19 -0.67
Dipole vector (in atomic units): 3.25 39.87 98.59
Mass Moments vector: 660.74 573.16 777.05
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