5AZ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | N2 | sing | 1.35Å | 1.33Å | |
| C1 | N6 | sing | 1.34Å | 1.34Å | |
| C1 | O8 | doub | 1.22Å | 1.35Å | |
| N2 | C3 | sing | 1.36Å | 1.34Å | |
| C3 | N4 | doub | 1.33Å | 1.35Å | |
| C3 | N7 | sing | 1.36Å | 1.48Å | |
| N4 | C5 | sing | 1.33Å | 1.34Å | |
| C5 | N6 | doub | 1.32Å | 1.34Å | |
| N2 | HN2 | sing | 0.97Å | 1.00Å | |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| N7 | H1N7 | sing | 0.97Å | 1.00Å | |
| N7 | H2N7 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N2 | C1 | N6 | 121.0° | 119.5° |
| N2 | C1 | O8 | 118.0° | 120.3° |
| C1 | N2 | C3 | 119.7° | 119.2° |
| C1 | N2 | HN2 | 120.2° | 120.4° |
| N6 | C1 | O8 | 121.0° | 120.2° |
| C1 | N6 | C5 | 119.4° | 120.4° |
| N2 | C3 | N4 | 120.2° | 119.6° |
| N2 | C3 | N7 | 118.2° | 120.2° |
| C3 | N2 | HN2 | 120.2° | 120.4° |
| N4 | C3 | N7 | 121.6° | 120.1° |
| C3 | N4 | C5 | 119.5° | 120.4° |
| C3 | N7 | H1N7 | 120.0° | 120.0° |
| C3 | N7 | H2N7 | 120.0° | 120.0° |
| N4 | C5 | N6 | 120.2° | 120.9° |
| N4 | C5 | H5 | 119.9° | 119.5° |
| N6 | C5 | H5 | 119.9° | 119.6° |
| H1N7 | N7 | H2N7 | 120.0° | 119.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N2 | C1 | N6 | O8 | 179.6° | 179.7° |
| C1 | N2 | C3 | HN2 | 180.0° | 179.9° |
| C1 | N2 | C3 | N4 | 0.8° | 0.1° |
| C1 | N2 | C3 | N7 | 179.9° | 180.0° |
| N2 | C1 | N6 | C5 | 0.1° | 0.0° |
| N6 | C1 | N2 | C3 | 0.3° | 0.0° |
| C1 | N6 | C5 | N4 | 0.4° | 0.0° |
| N6 | C1 | N2 | HN2 | 179.7° | 180.0° |
| C1 | N6 | C5 | H5 | 179.5° | 180.0° |
| O8 | C1 | N2 | C3 | 179.9° | 179.7° |
| O8 | C1 | N6 | C5 | 179.8° | 179.7° |
| O8 | C1 | N2 | HN2 | 0.1° | 0.3° |
| N2 | C3 | N4 | N7 | 179.3° | 180.0° |
| N2 | C3 | N4 | C5 | 1.1° | 0.1° |
| N2 | C3 | N7 | H1N7 | 179.4° | 0.0° |
| N2 | C3 | N7 | H2N7 | 0.7° | 180.0° |
| C3 | N4 | C5 | N6 | 0.9° | 0.1° |
| N4 | C3 | N2 | HN2 | 179.2° | 180.0° |
| C3 | N4 | C5 | H5 | 179.1° | 180.0° |
| N4 | C3 | N7 | H1N7 | 0.0° | 180.0° |
| N4 | C3 | N7 | H2N7 | 180.0° | 0.0° |
| N7 | C3 | N4 | C5 | 179.6° | 179.9° |
| N7 | C3 | N2 | HN2 | 0.1° | 0.0° |
| C3 | N7 | H1N7 | H2N7 | 180.0° | 180.0° |
| N4 | C5 | N6 | H5 | 180.0° | 179.9° |
