Dipole vector (in atomic units): 28.48 45.57 -371.45
Mass Moments vector: 899.26 813.23 819.78
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| No. of Chains=1 | Spherical | TRANSITION STATE ANALOG: ACETYLCHOLINESTERASE COMPLEXED TRIMETHYLAMMONIO)TRIFLUOROACETOPHE | ||||||||
|---|---|---|---|---|---|---|---|---|---|---|
| No.Atoms | No.Res. | RM | Pos.Res. | Neg.Res. | Charge | Dipole | Quadrapole | Crg./Nat. | Dip./Nat. | |
| Value | 4243. | 526. | 487.86 | 49. | 57. | -8. | 1803. | 709. | -0.0019 | 0.4249 |
| No.Dev.Units | 2.11 | 2.02 | 1.50 | 1.45 | 1.47 | -0.62 | 3.02 | -0.52 | -0.09 | 0.20 |
| Dipole vector (in atomic units): 28.48 45.57 -371.45 Mass Moments vector: 899.26 813.23 819.78
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