HDA
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| NA | C | sing | 1.35Å | 1.42Å | |
| NA | OB | sing | 1.42Å | 1.41Å | |
| NA | CB | sing | 1.46Å | 1.49Å | |
| C | O | doub | 1.21Å | 1.21Å | |
| C | HC | sing | 1.08Å | 1.08Å | |
| OB | HOB | sing | 0.97Å | 0.95Å | |
| CB | CG | sing | 1.51Å | 1.52Å | |
| CB | HB1 | sing | 1.09Å | 1.10Å | |
| CB | HB2 | sing | 1.09Å | 1.10Å | |
| CG | OD1 | doub | 1.21Å | 1.26Å | |
| CG | OD2 | sing | 1.34Å | 1.24Å | |
| OD2 | HOD | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C | NA | OB | 117.0° | 120.0° |
| C | NA | CB | 117.0° | 120.0° |
| NA | C | O | 120.4° | 120.0° |
| NA | C | HC | 119.8° | 120.0° |
| OB | NA | CB | 114.2° | 120.0° |
| NA | OB | HOB | 109.5° | 114.1° |
| NA | CB | CG | 112.9° | 109.5° |
| NA | CB | HB1 | 108.4° | 109.5° |
| NA | CB | HB2 | 108.4° | 109.5° |
| O | C | HC | 119.8° | 120.0° |
| CG | CB | HB1 | 108.3° | 109.4° |
| CG | CB | HB2 | 108.3° | 109.5° |
| CB | CG | OD1 | 121.0° | 120.0° |
| CB | CG | OD2 | 117.7° | 120.0° |
| HB1 | CB | HB2 | 110.6° | 109.5° |
| OD1 | CG | OD2 | 121.3° | 120.0° |
| CG | OD2 | HOD | 109.5° | 117.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C | NA | OB | CB | 142.0° | 179.7° |
| NA | C | O | HC | 180.0° | 180.0° |
| C | NA | OB | HOB | 20.2° | 180.0° |
| C | NA | CB | CG | 134.0° | 75.0° |
| C | NA | CB | HB1 | 14.1° | 165.0° |
| C | NA | CB | HB2 | 106.0° | 45.0° |
| OB | NA | C | O | 48.7° | 0.0° |
| OB | NA | C | HC | 131.3° | 180.0° |
| OB | NA | CB | CG | 84.0° | 105.3° |
| OB | NA | CB | HB1 | 156.0° | 14.7° |
| OB | NA | CB | HB2 | 36.0° | 134.7° |
| CB | NA | C | O | 170.3° | 179.7° |
| CB | NA | C | HC | 9.6° | 0.3° |
| CB | NA | OB | HOB | 162.2° | 0.3° |
| NA | CB | CG | HB1 | 120.0° | 120.0° |
| NA | CB | CG | HB2 | 120.0° | 120.0° |
| NA | CB | HB1 | HB2 | 118.6° | 120.0° |
| NA | CB | CG | OD1 | 24.6° | 0.0° |
| NA | CB | CG | OD2 | 154.5° | 180.0° |
| CG | CB | HB1 | HB2 | 118.6° | 120.0° |
| CB | CG | OD1 | OD2 | 179.1° | 180.0° |
| CB | CG | OD2 | HOD | 179.1° | 179.9° |
| HB1 | CB | CG | OD1 | 95.4° | 120.0° |
| HB1 | CB | CG | OD2 | 85.5° | 60.0° |
| HB2 | CB | CG | OD1 | 144.6° | 120.0° |
| HB2 | CB | CG | OD2 | 34.5° | 60.0° |
| OD1 | CG | OD2 | HOD | 0.0° | 0.0° |
