Dipole moment for 4xq2: ENSEMBLE REFINEMENT OF CYSTATHIONE GAMMA LYASE (CALE6) MICROMONOSPORA ECHINOSPORA

show separated chains No. of Chains=4Elongated ENSEMBLE REFINEMENT OF CYSTATHIONE GAMMA LYASE (CALE6) MICROMONOSPORA ECHINOSPORA
No.AtomsNo.Res.RMPos.Res.Neg.Res.ChargeDipoleQuadrapoleCrg./Nat.Dip./Nat.
Value11142.1493.1168.16147.164.-16. 137. 17273.-0.0014 0.0123
No.Dev.Units 7.98 8.50 6.02 7.30 6.90 -1.66 -0.97 4.44 -0.01 -1.26
Dipole vector (in atomic units): 10.53 -8.82 24.89
Mass Moments vector: 1452.73 2189.43 2318.92
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