Dipole vector (in atomic units): 80.22 -41.87 -29.51
Mass Moments vector: 435.01 309.24 367.07
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| show whole-molecule | ChainID = A | Elongated | STRUCTURE OF LIGAND-FREE PYL2 | |||||||
|---|---|---|---|---|---|---|---|---|---|---|
| No.Atoms | No.Res. | RM | Pos.Res. | Neg.Res. | Charge | Dipole | Quadrapole | Crg./Nat. | Dip./Nat. | |
| Value | 1561. | 189. | 215.92 | 22. | 29. | -7. | 457. | 1688. | -0.0045 | 0.2928 |
| No.Dev.Units | -0.18 | -0.24 | -0.30 | -0.16 | 0.05 | -0.49 | -0.20 | -0.23 | -0.54 | -0.27 |
| Dipole vector (in atomic units): 80.22 -41.87 -29.51 Mass Moments vector: 435.01 309.24 367.07
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|
| show whole-molecule | ChainID = B | Spherical | STRUCTURE OF LIGAND-FREE PYL2 | |||||||
|---|---|---|---|---|---|---|---|---|---|---|
| No.Atoms | No.Res. | RM | Pos.Res. | Neg.Res. | Charge | Dipole | Quadrapole | Crg./Nat. | Dip./Nat. | |
| Value | 1511. | 184. | 213.98 | 22. | 28. | -6. | 380. | 2103. | -0.0040 | 0.2512 |
| No.Dev.Units | -0.22 | -0.27 | -0.32 | -0.16 | 0.00 | -0.36 | -0.39 | -0.11 | -0.45 | -0.42 |
| Dipole vector (in atomic units): -21.21 71.54 26.02 Mass Moments vector: 388.15 361.62 361.47
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