Dipole vector (in atomic units): -83.84 -43.00 -35.34
Mass Moments vector: 726.53 519.34 614.14
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| show whole-molecule | ChainID = A | Spherical | COMPLEX CRYSTAL STRUCTURE OF SP-ASPARTATE-SEMIALDEHYDE- WITH 3-CARBOXY-ETHYL-PHTHALIC ACID | |||||||
|---|---|---|---|---|---|---|---|---|---|---|
| No.Atoms | No.Res. | RM | Pos.Res. | Neg.Res. | Charge | Dipole | Quadrapole | Crg./Nat. | Dip./Nat. | |
| Value | 2747. | 357. | 361.28 | 35. | 49. | -14. | 483. | 1370. | -0.0051 | 0.1760 |
| No.Dev.Units | 0.83 | 0.89 | 0.66 | 0.62 | 1.07 | -1.40 | -0.14 | -0.33 | -0.65 | -0.68 |
| Dipole vector (in atomic units): -83.84 -43.00 -35.34 Mass Moments vector: 726.53 519.34 614.14
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|
| show whole-molecule | ChainID = B | Spherical | COMPLEX CRYSTAL STRUCTURE OF SP-ASPARTATE-SEMIALDEHYDE- WITH 3-CARBOXY-ETHYL-PHTHALIC ACID | |||||||
|---|---|---|---|---|---|---|---|---|---|---|
| No.Atoms | No.Res. | RM | Pos.Res. | Neg.Res. | Charge | Dipole | Quadrapole | Crg./Nat. | Dip./Nat. | |
| Value | 2738. | 357. | 362.04 | 35. | 49. | -14. | 463. | 925. | -0.0051 | 0.1691 |
| No.Dev.Units | 0.83 | 0.89 | 0.67 | 0.62 | 1.07 | -1.40 | -0.19 | -0.46 | -0.65 | -0.71 |
| Dipole vector (in atomic units): -16.53 -93.69 15.41 Mass Moments vector: 562.76 703.00 607.26
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