2AI
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CG | CD2 | doub | 1.34Å | 1.35Å | Aromatic |
| CG | ND1 | sing | 1.38Å | 1.38Å | Aromatic |
| CD2 | NE2 | sing | 1.34Å | 1.38Å | Aromatic |
| NE2 | CE1 | doub | 1.31Å | 1.32Å | Aromatic |
| CE1 | ND1 | sing | 1.36Å | 1.32Å | Aromatic |
| CE1 | NT | sing | 1.39Å | 1.41Å | |
| CG | HG | sing | 1.08Å | 1.08Å | |
| CD2 | HD2 | sing | 1.08Å | 1.08Å | |
| ND1 | HND1 | sing | 0.97Å | 1.00Å | |
| NT | HNT | sing | 0.97Å | 1.00Å | |
| NT | HNTA | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CD2 | CG | ND1 | 107.9° | 106.9° |
| CG | CD2 | NE2 | 104.9° | 108.3° |
| CD2 | CG | HG | 126.0° | 126.5° |
| CG | CD2 | HD2 | 127.6° | 125.9° |
| CG | ND1 | CE1 | 108.9° | 107.0° |
| ND1 | CG | HG | 126.1° | 126.5° |
| CG | ND1 | HND1 | 125.6° | 126.5° |
| CD2 | NE2 | CE1 | 111.2° | 109.4° |
| NE2 | CD2 | HD2 | 127.5° | 125.8° |
| NE2 | CE1 | ND1 | 107.1° | 108.4° |
| NE2 | CE1 | NT | 124.8° | 125.9° |
| ND1 | CE1 | NT | 127.9° | 125.8° |
| CE1 | ND1 | HND1 | 125.5° | 126.4° |
| CE1 | NT | HNT | 109.5° | 119.9° |
| CE1 | NT | HNTA | 109.5° | 120.0° |
| HNT | NT | HNTA | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CD2 | CG | ND1 | HG | 180.0° | 179.8° |
| CG | CD2 | NE2 | HD2 | 180.0° | 180.0° |
| CG | CD2 | NE2 | CE1 | 1.3° | 0.0° |
| CD2 | CG | ND1 | CE1 | 0.6° | 0.0° |
| CD2 | CG | ND1 | HND1 | 179.4° | 180.0° |
| ND1 | CG | CD2 | NE2 | 0.4° | 0.0° |
| CG | ND1 | CE1 | NE2 | 1.4° | 0.0° |
| CG | ND1 | CE1 | HND1 | 180.0° | 180.0° |
| CG | ND1 | CE1 | NT | 176.7° | 180.0° |
| ND1 | CG | CD2 | HD2 | 179.6° | 180.0° |
| CD2 | NE2 | CE1 | ND1 | 1.7° | 0.0° |
| CD2 | NE2 | CE1 | NT | 177.2° | 180.0° |
| NE2 | CD2 | CG | HG | 179.7° | 179.8° |
| NE2 | CE1 | ND1 | NT | 175.3° | 180.0° |
| CE1 | NE2 | CD2 | HD2 | 178.7° | 180.0° |
| NE2 | CE1 | ND1 | HND1 | 178.6° | 180.0° |
| NE2 | CE1 | NT | HNT | 31.6° | 0.0° |
| NE2 | CE1 | NT | HNTA | 88.4° | 180.0° |
| CE1 | ND1 | CG | HG | 179.3° | 179.8° |
| ND1 | CE1 | NT | HNT | 143.0° | 180.0° |
| ND1 | CE1 | NT | HNTA | 97.0° | 0.0° |
| NT | CE1 | ND1 | HND1 | 3.3° | 0.0° |
| CE1 | NT | HNT | HNTA | 120.0° | 180.0° |
| HG | CG | CD2 | HD2 | 0.3° | 0.2° |
| HG | CG | ND1 | HND1 | 0.6° | 0.2° |
