000
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C | OXT | sing | 1.35Å | 1.43Å | |
| O | C | doub | 1.21Å | 1.43Å | |
| OA | C | sing | 1.35Å | 1.53Å | |
| CB | OA | sing | 1.45Å | 1.53Å | |
| CB | HB | sing | 1.09Å | 1.10Å | |
| CB | HBA | sing | 1.09Å | 1.10Å | |
| CB | HBB | sing | 1.09Å | 1.10Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OXT | C | O | 120.5° | 120.0° |
| OXT | C | OA | 120.4° | 120.0° |
| C | OXT | HXT | 109.5° | 117.0° |
| O | C | OA | 119.1° | 120.0° |
| C | OA | CB | 109.9° | 116.9° |
| OA | CB | HB | 109.5° | 109.5° |
| OA | CB | HBA | 109.5° | 109.5° |
| OA | CB | HBB | 109.4° | 109.4° |
| HB | CB | HBA | 109.4° | 109.5° |
| HB | CB | HBB | 109.5° | 109.5° |
| HBA | CB | HBB | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OXT | C | O | OA | 180.0° | 179.7° |
| OXT | C | OA | CB | 130.3° | 180.0° |
| O | C | OA | CB | 49.7° | 0.3° |
| O | C | OXT | HXT | 0.0° | 0.0° |
| C | OA | CB | HB | 180.0° | 60.0° |
| C | OA | CB | HBA | 60.0° | 60.0° |
| C | OA | CB | HBB | 60.0° | 179.9° |
| OA | C | OXT | HXT | 180.0° | 179.8° |
| OA | CB | HB | HBA | 120.0° | 120.0° |
| OA | CB | HB | HBB | 120.0° | 120.0° |
| OA | CB | HBA | HBB | 120.0° | 119.9° |
| HB | CB | HBA | HBB | 120.0° | 120.0° |
