Dipole vector (in atomic units): -16.71 57.46 39.75
Mass Moments vector: 385.02 389.75 324.87
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| No. of Chains=1 | Spherical | X-RAY CRYSTAL STRUCTURE OF THE PYL2(V114I)-PYRABACTIN A | ||||||||
|---|---|---|---|---|---|---|---|---|---|---|
| No.Atoms | No.Res. | RM | Pos.Res. | Neg.Res. | Charge | Dipole | Quadrapole | Crg./Nat. | Dip./Nat. | |
| Value | 1506. | 182. | 212.31 | 21. | 28. | -6. | 345. | 2568. | -0.0040 | 0.2291 |
| No.Dev.Units | -0.22 | -0.29 | -0.33 | -0.22 | 0.00 | -0.36 | -0.47 | 0.03 | -0.45 | -0.50 |
| Dipole vector (in atomic units): -16.71 57.46 39.75 Mass Moments vector: 385.02 389.75 324.87
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