Dipole moment for 1xtb: CRYSTAL STRUCTURE OF RABBIT PHOSPHOGLUCOSE ISOMERASE CO SORBITOL-6-PHOSPHATE

show separated chains No. of Chains=2Spherical CRYSTAL STRUCTURE OF RABBIT PHOSPHOGLUCOSE ISOMERASE CO SORBITOL-6-PHOSPHATE
No.AtomsNo.Res.RMPos.Res.Neg.Res.ChargeDipoleQuadrapoleCrg./Nat.Dip./Nat.
Value 8814.1112. 894.79118.116. 2. 1468. 7658. 0.0002 0.1666
No.Dev.Units 6.00 5.95 4.20 5.57 4.46 0.69 2.22 1.56 0.29 -0.72
Dipole vector (in atomic units): 201.43 -229.96 0.88
Mass Moments vector: 1556.98 1551.84 1540.60
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