AZF
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O4 | C4 | sing | 1.43Å | 1.44Å | |
| O4 | H4 | sing | 0.97Å | 0.95Å | |
| C4 | C3 | sing | 1.53Å | 1.55Å | |
| C4 | C5 | sing | 1.54Å | 1.53Å | |
| C4 | HA | sing | 1.10Å | 1.11Å | |
| C3 | O3 | sing | 1.43Å | 1.43Å | |
| C3 | C2 | sing | 1.53Å | 1.54Å | |
| C3 | H3 | sing | 1.10Å | 1.12Å | |
| O3 | HB | sing | 0.97Å | 0.95Å | |
| C2 | N | sing | 1.46Å | 1.47Å | |
| C2 | H2C1 | sing | 1.10Å | 1.11Å | |
| C2 | H2C2 | sing | 1.10Å | 1.12Å | |
| N | N2 | sing | 1.44Å | 1.40Å | |
| N | H | sing | 1.02Å | 1.02Å | |
| C5 | C6 | sing | 1.53Å | 1.52Å | |
| C5 | N2 | sing | 1.47Å | 1.46Å | |
| C5 | H5 | sing | 1.10Å | 1.12Å | |
| C6 | O6 | sing | 1.41Å | 1.43Å | |
| C6 | H6C1 | sing | 1.09Å | 1.11Å | |
| C6 | H6C2 | sing | 1.09Å | 1.11Å | |
| O6 | H6 | sing | 0.97Å | 0.95Å | |
| N2 | H2 | sing | 1.02Å | 1.02Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C4 | O4 | H4 | 111.9° | 106.5° |
| O4 | C4 | C3 | 111.9° | 107.7° |
| O4 | C4 | C5 | 110.0° | 110.2° |
| O4 | C4 | HA | 107.0° | 107.0° |
| C3 | C4 | C5 | 108.2° | 110.3° |
| C3 | C4 | HA | 108.9° | 110.4° |
| C4 | C3 | O3 | 111.8° | 108.8° |
| C4 | C3 | C2 | 114.7° | 110.5° |
| C4 | C3 | H3 | 103.5° | 110.5° |
| C5 | C4 | HA | 110.8° | 111.0° |
| C4 | C5 | C6 | 113.5° | 111.6° |
| C4 | C5 | N2 | 104.9° | 110.7° |
| C4 | C5 | H5 | 110.7° | 109.6° |
| O3 | C3 | C2 | 107.7° | 109.4° |
| O3 | C3 | H3 | 111.1° | 107.1° |
| C3 | O3 | HB | 111.8° | 106.6° |
| C2 | C3 | H3 | 107.9° | 110.6° |
| C3 | C2 | N | 110.7° | 111.2° |
| C3 | C2 | H2C1 | 111.8° | 110.6° |
| C3 | C2 | H2C2 | 111.8° | 109.1° |
| N | C2 | H2C1 | 111.8° | 110.9° |
| N | C2 | H2C2 | 111.8° | 109.3° |
| C2 | N | N2 | 119.1° | 109.3° |
| C2 | N | H | 108.7° | 108.9° |
| H2C1 | C2 | H2C2 | 98.6° | 105.6° |
| N2 | N | H | 108.7° | 108.5° |
| N | N2 | C5 | 117.8° | 110.0° |
| N | N2 | H2 | 109.2° | 108.6° |
| C6 | C5 | N2 | 111.8° | 108.2° |
| C6 | C5 | H5 | 103.7° | 106.7° |
| C5 | C6 | O6 | 108.3° | 108.4° |
| C5 | C6 | H6C1 | 112.7° | 109.7° |
| C5 | C6 | H6C2 | 112.6° | 109.7° |
| N2 | C5 | H5 | 112.5° | 110.0° |
| C5 | N2 | H2 | 109.2° | 109.2° |
| O6 | C6 | H6C1 | 112.6° | 109.5° |
| O6 | C6 | H6C2 | 112.6° | 109.5° |
| C6 | O6 | H6 | 108.3° | 107.1° |
| H6C1 | C6 | H6C2 | 97.8° | 110.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O4 | C4 | C3 | C5 | 121.3° | 120.3° |
| O4 | C4 | C3 | HA | 118.1° | 116.6° |
| O4 | C4 | C5 | HA | 118.2° | 118.4° |
| O4 | C4 | C3 | O3 | 60.0° | 71.2° |
| O4 | C4 | C3 | C2 | 177.0° | 168.7° |
| O4 | C4 | C3 | H3 | 59.7° | 46.1° |
| O4 | C4 | C5 | C6 | 53.7° | 67.9° |
| O4 | C4 | C5 | N2 | 176.0° | 171.5° |
| O4 | C4 | C5 | H5 | 62.4° | 50.1° |
| H4 | O4 | C4 | C3 | 180.0° | 40.2° |
| H4 | O4 | C4 | C5 | 59.7° | 160.7° |
| H4 | O4 | C4 | HA | 60.8° | 78.5° |
| C3 | C4 | C5 | HA | 119.3° | 122.7° |
| C4 | C3 | O3 | C2 | 126.9° | 120.8° |
| C4 | C3 | O3 | H3 | 115.1° | 119.4° |
| C4 | C3 | C2 | H3 | 114.8° | 122.6° |
| C4 | C3 | O3 | HB | 180.0° | 170.2° |
| C4 | C3 | C2 | N | 38.7° | 53.7° |
| C4 | C3 | C2 | H2C1 | 164.0° | 70.0° |
| C4 | C3 | C2 | H2C2 | 86.5° | 174.3° |
| C3 | C4 | C5 | C6 | 176.2° | 173.3° |
| C3 | C4 | C5 | N2 | 61.5° | 52.7° |
| C3 | C4 | C5 | H5 | 60.1° | 68.8° |
| C5 | C4 | C3 | O3 | 178.7° | 168.5° |
| C5 | C4 | C3 | C2 | 55.7° | 48.4° |
| C5 | C4 | C3 | H3 | 61.7° | 74.3° |
| C4 | C5 | N2 | N | 59.8° | 61.4° |
| C4 | C5 | C6 | N2 | 118.4° | 122.0° |
| C4 | C5 | C6 | H5 | 120.2° | 119.7° |
| C4 | C5 | N2 | H5 | 120.4° | 121.2° |
| C4 | C5 | C6 | O6 | 64.2° | 179.5° |
| C4 | C5 | C6 | H6C1 | 61.0° | 60.0° |
| C4 | C5 | C6 | H6C2 | 170.5° | 61.0° |
| C4 | C5 | N2 | H2 | 65.5° | 179.5° |
| HA | C4 | C3 | O3 | 58.1° | 45.4° |
| HA | C4 | C3 | C2 | 64.9° | 74.7° |
| HA | C4 | C3 | H3 | 177.8° | 162.6° |
| HA | C4 | C5 | C6 | 64.5° | 50.5° |
| HA | C4 | C5 | N2 | 57.8° | 70.0° |
| HA | C4 | C5 | H5 | 179.4° | 168.5° |
| O3 | C3 | C2 | H3 | 120.0° | 117.7° |
| O3 | C3 | C2 | N | 163.9° | 173.4° |
| O3 | C3 | C2 | H2C1 | 70.8° | 49.7° |
| O3 | C3 | C2 | H2C2 | 38.6° | 65.9° |
| C2 | C3 | O3 | HB | 53.1° | 49.4° |
| C3 | C2 | N | H2C1 | 125.3° | 123.5° |
| C3 | C2 | N | H2C2 | 125.3° | 120.5° |
| C3 | C2 | H2C1 | H2C2 | 117.7° | 117.8° |
| C3 | C2 | N | N2 | 33.1° | 62.0° |
| C3 | C2 | N | H | 92.1° | 179.6° |
| H3 | C3 | O3 | HB | 64.9° | 70.4° |
| H3 | C3 | C2 | N | 76.1° | 68.9° |
| H3 | C3 | C2 | H2C1 | 49.2° | 167.4° |
| H3 | C3 | C2 | H2C2 | 158.7° | 51.8° |
| N | C2 | H2C1 | H2C2 | 117.7° | 118.3° |
| C2 | N | N2 | H | 125.3° | 118.6° |
| C2 | N | N2 | C5 | 47.1° | 66.0° |
| C2 | N | N2 | H2 | 78.1° | 174.7° |
| H2C1 | C2 | N | N2 | 158.4° | 61.5° |
| H2C1 | C2 | N | H | 33.2° | 56.9° |
| H2C2 | C2 | N | N2 | 92.2° | 177.5° |
| H2C2 | C2 | N | H | 142.6° | 59.1° |
| N | N2 | C5 | C6 | 176.8° | 176.0° |
| N | N2 | C5 | H2 | 125.3° | 119.0° |
| N | N2 | C5 | H5 | 60.6° | 59.8° |
| H | N | N2 | C5 | 78.1° | 175.4° |
| H | N | N2 | H2 | 156.6° | 56.0° |
| C6 | C5 | N2 | H5 | 116.2° | 116.2° |
| C5 | C6 | O6 | H6C1 | 125.3° | 119.7° |
| C5 | C6 | O6 | H6C2 | 125.3° | 119.6° |
| C5 | C6 | H6C1 | H6C2 | 118.5° | 120.8° |
| C5 | C6 | O6 | H6 | 180.0° | 27.6° |
| C6 | C5 | N2 | H2 | 57.9° | 57.0° |
| N2 | C5 | C6 | O6 | 54.1° | 57.5° |
| N2 | C5 | C6 | H6C1 | 179.4° | 62.0° |
| N2 | C5 | C6 | H6C2 | 71.2° | 177.1° |
| H5 | C5 | C6 | O6 | 175.5° | 60.8° |
| H5 | C5 | C6 | H6C1 | 59.2° | 179.6° |
| H5 | C5 | C6 | H6C2 | 50.3° | 58.7° |
| H5 | C5 | N2 | H2 | 174.1° | 59.2° |
| O6 | C6 | H6C1 | H6C2 | 118.6° | 120.4° |
| H6C1 | C6 | O6 | H6 | 54.7° | 147.3° |
| H6C2 | C6 | O6 | H6 | 54.7° | 92.1° |
