Dipole vector (in atomic units): -69.28 -112.00 136.06
Mass Moments vector: 860.87 654.30 992.66
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| show whole-molecule | ChainID = A | Elongated | CRYSTAL STRUCTURE OF MOUSE ACETYLCHOLINESTERASE INHIBIT METHAMIDOPHOS | |||||||
|---|---|---|---|---|---|---|---|---|---|---|
| No.Atoms | No.Res. | RM | Pos.Res. | Neg.Res. | Charge | Dipole | Quadrapole | Crg./Nat. | Dip./Nat. | |
| Value | 4175. | 534. | 489.28 | 45. | 53. | -9. | 909. | 5520. | -0.0022 | 0.2178 |
| No.Dev.Units | 2.05 | 2.07 | 1.51 | 1.21 | 1.27 | -0.75 | 0.88 | 0.92 | -0.13 | -0.54 |
| Dipole vector (in atomic units): -69.28 -112.00 136.06 Mass Moments vector: 860.87 654.30 992.66
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|
| show whole-molecule | ChainID = B | Spherical | CRYSTAL STRUCTURE OF MOUSE ACETYLCHOLINESTERASE INHIBIT METHAMIDOPHOS | |||||||
|---|---|---|---|---|---|---|---|---|---|---|
| No.Atoms | No.Res. | RM | Pos.Res. | Neg.Res. | Charge | Dipole | Quadrapole | Crg./Nat. | Dip./Nat. | |
| Value | 4159. | 533. | 485.45 | 44. | 52. | -8. | 825. | 3951. | -0.0019 | 0.1983 |
| No.Dev.Units | 2.04 | 2.06 | 1.48 | 1.15 | 1.22 | -0.62 | 0.68 | 0.45 | -0.09 | -0.61 |
| Dipole vector (in atomic units): -42.84 154.70 -61.05 Mass Moments vector: 827.49 719.31 958.55
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