2MZ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C2 | sing | 1.35Å | 1.34Å | Aromatic |
| N1 | C5 | sing | 1.37Å | 1.39Å | Aromatic |
| N1 | HN1 | sing | 0.97Å | 1.02Å | |
| C2 | N3 | doub | 1.30Å | 1.34Å | Aromatic |
| C2 | C6 | sing | 1.51Å | 1.49Å | |
| N3 | C4 | sing | 1.34Å | 1.39Å | Aromatic |
| C4 | C5 | doub | 1.35Å | 1.36Å | Aromatic |
| C4 | H4 | sing | 1.08Å | 1.10Å | |
| C5 | H5 | sing | 1.08Å | 1.10Å | |
| C6 | H61 | sing | 1.09Å | 1.11Å | |
| C6 | H62 | sing | 1.09Å | 1.12Å | |
| C6 | H63 | sing | 1.09Å | 1.12Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | N1 | C5 | 110.7° | 107.2° |
| C2 | N1 | HN1 | 123.4° | 126.5° |
| N1 | C2 | N3 | 105.7° | 108.7° |
| N1 | C2 | C6 | 127.1° | 125.6° |
| C5 | N1 | HN1 | 125.9° | 126.3° |
| N1 | C5 | C4 | 106.4° | 106.8° |
| N1 | C5 | H5 | 127.5° | 126.6° |
| N3 | C2 | C6 | 127.1° | 125.7° |
| C2 | N3 | C4 | 110.7° | 109.3° |
| C2 | C6 | H61 | 127.2° | 109.5° |
| C2 | C6 | H62 | 106.0° | 109.5° |
| C2 | C6 | H63 | 106.0° | 109.5° |
| N3 | C4 | C5 | 106.4° | 108.0° |
| N3 | C4 | H4 | 127.6° | 126.0° |
| C5 | C4 | H4 | 126.0° | 126.0° |
| C4 | C5 | H5 | 126.1° | 126.6° |
| H61 | C6 | H62 | 106.0° | 109.4° |
| H61 | C6 | H63 | 106.0° | 109.5° |
| H62 | C6 | H63 | 103.3° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | N1 | C5 | HN1 | 180.0° | 179.9° |
| N1 | C2 | N3 | C6 | 178.2° | 179.8° |
| N1 | C2 | N3 | C4 | 0.0° | 0.3° |
| C2 | N1 | C5 | C4 | 0.0° | 0.0° |
| C2 | N1 | C5 | H5 | 180.0° | 180.0° |
| N1 | C2 | C6 | H61 | 180.0° | 90.0° |
| N1 | C2 | C6 | H62 | 54.7° | 150.1° |
| N1 | C2 | C6 | H63 | 54.7° | 30.0° |
| C5 | N1 | C2 | N3 | 0.0° | 0.2° |
| C5 | N1 | C2 | C6 | 178.2° | 179.9° |
| N1 | C5 | C4 | N3 | 0.0° | 0.2° |
| N1 | C5 | C4 | H5 | 180.0° | 180.0° |
| N1 | C5 | C4 | H4 | 180.0° | 179.9° |
| HN1 | N1 | C2 | N3 | 180.0° | 179.7° |
| HN1 | N1 | C2 | C6 | 1.8° | 0.0° |
| HN1 | N1 | C5 | C4 | 180.0° | 179.9° |
| HN1 | N1 | C5 | H5 | 0.0° | 0.1° |
| C2 | N3 | C4 | C5 | 0.0° | 0.3° |
| C2 | N3 | C4 | H4 | 180.0° | 179.8° |
| N3 | C2 | C6 | H61 | 2.1° | 90.3° |
| N3 | C2 | C6 | H62 | 127.4° | 29.6° |
| N3 | C2 | C6 | H63 | 123.2° | 149.7° |
| C6 | C2 | N3 | C4 | 178.2° | 180.0° |
| C2 | C6 | H61 | H62 | 125.3° | 119.9° |
| C2 | C6 | H61 | H63 | 125.3° | 120.0° |
| C2 | C6 | H62 | H63 | 111.3° | 120.1° |
| N3 | C4 | C5 | H4 | 180.0° | 180.0° |
| N3 | C4 | C5 | H5 | 180.0° | 179.9° |
| H4 | C4 | C5 | H5 | 0.0° | 0.1° |
| H61 | C6 | H62 | H63 | 111.3° | 120.0° |
