Dipole vector (in atomic units): -8.75 -10.73 -23.68
Mass Moments vector: 368.72 377.00 545.34
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| show whole-molecule | ChainID = A | Elongated | DSBC C101S | |||||||
|---|---|---|---|---|---|---|---|---|---|---|
| No.Atoms | No.Res. | RM | Pos.Res. | Neg.Res. | Charge | Dipole | Quadrapole | Crg./Nat. | Dip./Nat. | |
| Value | 1630. | 215. | 252.87 | 21. | 25. | -5. | 132. | 1535. | -0.0031 | 0.0808 |
| No.Dev.Units | -0.12 | -0.07 | -0.06 | -0.22 | -0.15 | -0.23 | -0.98 | -0.28 | -0.29 | -1.02 |
| Dipole vector (in atomic units): -8.75 -10.73 -23.68 Mass Moments vector: 368.72 377.00 545.34
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|
| show whole-molecule | ChainID = B | Elongated | DSBC C101S | |||||||
|---|---|---|---|---|---|---|---|---|---|---|
| No.Atoms | No.Res. | RM | Pos.Res. | Neg.Res. | Charge | Dipole | Quadrapole | Crg./Nat. | Dip./Nat. | |
| Value | 1640. | 216. | 255.82 | 22. | 25. | -4. | 214. | 944. | -0.0024 | 0.1307 |
| No.Dev.Units | -0.11 | -0.06 | -0.04 | -0.16 | -0.15 | -0.10 | -0.79 | -0.45 | -0.18 | -0.84 |
| Dipole vector (in atomic units): -20.69 9.81 -38.30 Mass Moments vector: 543.00 395.63 371.01
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