DAF
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O5 | C1 | sing | 1.43Å | 1.45Å | |
| C2 | C1 | sing | 1.53Å | 1.52Å | |
| C1 | O1 | sing | 1.43Å | 1.43Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| O1 | HO1 | sing | 0.97Å | 0.95Å | |
| C3 | C2 | sing | 1.53Å | 1.54Å | |
| C2 | O2 | sing | 1.43Å | 1.42Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| O2 | HO2 | sing | 0.97Å | 0.95Å | |
| C4 | C3 | sing | 1.53Å | 1.55Å | |
| O3 | C3 | sing | 1.43Å | 1.43Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| O3 | HO3 | sing | 0.97Å | 0.95Å | |
| N4 | C4 | sing | 1.47Å | 1.44Å | |
| C4 | C5 | sing | 1.51Å | 1.57Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C1H | N4 | sing | 1.47Å | 1.45Å | |
| N4 | HN4 | sing | 1.01Å | 1.00Å | |
| C6 | C5 | doub | 1.32Å | 1.52Å | |
| C5 | O5 | sing | 1.36Å | 1.44Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C6 | H6A | sing | 1.08Å | 1.08Å | |
| C2H | C1H | sing | 1.53Å | 1.52Å | |
| C1H | C6H | sing | 1.50Å | 1.47Å | |
| C1H | H1H | sing | 1.09Å | 1.10Å | |
| O2H | C2H | sing | 1.43Å | 1.43Å | |
| C2H | C3H | sing | 1.53Å | 1.53Å | |
| C2H | H2H | sing | 1.09Å | 1.10Å | |
| O2H | HO2H | sing | 0.97Å | 0.95Å | |
| O3H | C3H | sing | 1.43Å | 1.43Å | |
| C3H | C4H | sing | 1.52Å | 1.57Å | |
| C3H | H3H | sing | 1.09Å | 1.10Å | |
| O3H | HO3H | sing | 0.97Å | 0.95Å | |
| O4H | C4H | doub | 1.21Å | 1.43Å | |
| C4H | C5H | sing | 1.48Å | 1.54Å | |
| C5H | C6H | doub | 1.35Å | 1.39Å | |
| C5H | C7H | sing | 1.47Å | 1.55Å | |
| C6H | H6H | sing | 1.08Å | 1.08Å | |
| O7H | C7H | doub | 1.21Å | 1.43Å | |
| C7H | H7H | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O5 | C1 | C2 | 114.6° | 109.3° |
| O5 | C1 | O1 | 110.2° | 109.5° |
| O5 | C1 | H1 | 106.4° | 109.5° |
| C1 | O5 | C5 | 119.3° | 115.6° |
| C2 | C1 | O1 | 112.9° | 109.5° |
| C2 | C1 | H1 | 105.6° | 109.5° |
| C1 | C2 | C3 | 109.7° | 109.4° |
| C1 | C2 | O2 | 112.7° | 109.5° |
| C1 | C2 | H2 | 108.1° | 109.5° |
| O1 | C1 | H1 | 106.6° | 109.5° |
| C1 | O1 | HO1 | 109.5° | 114.0° |
| C3 | C2 | O2 | 109.1° | 109.5° |
| C3 | C2 | H2 | 107.8° | 109.5° |
| C2 | C3 | C4 | 107.6° | 108.9° |
| C2 | C3 | O3 | 107.9° | 109.5° |
| C2 | C3 | H3 | 109.0° | 109.5° |
| O2 | C2 | H2 | 109.3° | 109.5° |
| C2 | O2 | HO2 | 109.5° | 114.0° |
| C4 | C3 | O3 | 112.9° | 109.7° |
| C4 | C3 | H3 | 108.9° | 109.6° |
| C3 | C4 | N4 | 111.1° | 109.7° |
| C3 | C4 | C5 | 108.6° | 108.3° |
| C3 | C4 | H4 | 108.0° | 109.7° |
| O3 | C3 | H3 | 110.5° | 109.6° |
| C3 | O3 | HO3 | 109.5° | 114.0° |
| N4 | C4 | C5 | 112.0° | 109.7° |
| N4 | C4 | H4 | 109.3° | 109.8° |
| C4 | N4 | C1H | 119.0° | 111.0° |
| C4 | N4 | HN4 | 107.1° | 111.0° |
| C5 | C4 | H4 | 107.7° | 109.7° |
| C4 | C5 | C6 | 125.6° | 121.0° |
| C4 | C5 | O5 | 116.7° | 118.1° |
| C1H | N4 | HN4 | 107.1° | 111.0° |
| N4 | C1H | C2H | 118.0° | 109.1° |
| N4 | C1H | C6H | 123.0° | 109.1° |
| N4 | C1H | H1H | 99.6° | 109.1° |
| C6 | C5 | O5 | 114.3° | 120.9° |
| C5 | C6 | H6 | 120.0° | 120.0° |
| C5 | C6 | H6A | 120.0° | 120.0° |
| H6 | C6 | H6A | 120.0° | 120.1° |
| C2H | C1H | C6H | 111.1° | 111.2° |
| C2H | C1H | H1H | 99.2° | 109.1° |
| C1H | C2H | O2H | 115.7° | 109.5° |
| C1H | C2H | C3H | 103.5° | 109.2° |
| C1H | C2H | H2H | 107.5° | 109.6° |
| C6H | C1H | H1H | 99.5° | 109.2° |
| C1H | C6H | C5H | 120.2° | 122.9° |
| C1H | C6H | H6H | 119.9° | 118.6° |
| O2H | C2H | C3H | 113.8° | 109.5° |
| O2H | C2H | H2H | 108.6° | 109.5° |
| C2H | O2H | HO2H | 109.5° | 114.0° |
| C3H | C2H | H2H | 107.3° | 109.5° |
| C2H | C3H | O3H | 111.4° | 109.9° |
| C2H | C3H | C4H | 110.5° | 107.3° |
| C2H | C3H | H3H | 107.9° | 109.9° |
| O3H | C3H | C4H | 110.3° | 109.8° |
| O3H | C3H | H3H | 109.3° | 109.9° |
| C3H | O3H | HO3H | 109.5° | 114.0° |
| C4H | C3H | H3H | 107.5° | 109.9° |
| C3H | C4H | O4H | 119.9° | 121.1° |
| C3H | C4H | C5H | 118.0° | 117.7° |
| O4H | C4H | C5H | 122.1° | 121.2° |
| C4H | C5H | C6H | 116.9° | 120.3° |
| C4H | C5H | C7H | 121.3° | 119.8° |
| C6H | C5H | C7H | 121.8° | 119.9° |
| C5H | C6H | H6H | 119.9° | 118.5° |
| C5H | C7H | O7H | 116.2° | 120.0° |
| C5H | C7H | H7H | 121.9° | 119.9° |
| O7H | C7H | H7H | 121.9° | 120.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O5 | C1 | C2 | O1 | 127.2° | 119.9° |
| O5 | C1 | C2 | H1 | 116.7° | 120.0° |
| O5 | C1 | O1 | H1 | 115.0° | 120.1° |
| O5 | C1 | O1 | HO1 | 180.0° | 60.1° |
| O5 | C1 | C2 | C3 | 51.9° | 58.7° |
| O5 | C1 | C2 | O2 | 173.6° | 61.3° |
| O5 | C1 | C2 | H2 | 65.5° | 178.7° |
| C1 | O5 | C5 | C4 | 32.4° | 50.7° |
| C1 | O5 | C5 | C6 | 167.2° | 129.4° |
| C2 | C1 | O1 | H1 | 115.5° | 120.1° |
| C2 | C1 | O1 | HO1 | 50.5° | 179.9° |
| C1 | C2 | C3 | O2 | 123.9° | 120.0° |
| C1 | C2 | C3 | H2 | 117.5° | 120.0° |
| C1 | C2 | O2 | H2 | 120.2° | 120.0° |
| C1 | C2 | O2 | HO2 | 180.0° | 60.0° |
| C1 | C2 | C3 | C4 | 64.5° | 59.9° |
| C1 | C2 | C3 | O3 | 173.4° | 60.0° |
| C1 | C2 | C3 | H3 | 53.4° | 179.8° |
| C2 | C1 | O5 | C5 | 35.9° | 53.6° |
| O1 | C1 | C2 | C3 | 75.4° | 178.6° |
| O1 | C1 | C2 | O2 | 46.4° | 58.6° |
| O1 | C1 | C2 | H2 | 167.3° | 61.4° |
| O1 | C1 | O5 | C5 | 92.6° | 173.5° |
| H1 | C1 | O1 | HO1 | 65.0° | 59.9° |
| H1 | C1 | C2 | C3 | 168.6° | 61.3° |
| H1 | C1 | C2 | O2 | 69.7° | 178.7° |
| H1 | C1 | C2 | H2 | 51.3° | 58.7° |
| H1 | C1 | O5 | C5 | 152.2° | 66.4° |
| C3 | C2 | O2 | H2 | 117.7° | 120.0° |
| C3 | C2 | O2 | HO2 | 57.9° | 179.9° |
| C2 | C3 | C4 | O3 | 119.0° | 119.9° |
| C2 | C3 | C4 | H3 | 118.0° | 119.8° |
| C2 | C3 | O3 | H3 | 119.1° | 120.2° |
| C2 | C3 | O3 | HO3 | 180.0° | 60.0° |
| C2 | C3 | C4 | N4 | 177.1° | 67.5° |
| C2 | C3 | C4 | C5 | 59.3° | 52.2° |
| C2 | C3 | C4 | H4 | 57.2° | 171.9° |
| O2 | C2 | C3 | C4 | 171.6° | 60.0° |
| O2 | C2 | C3 | O3 | 49.5° | 180.0° |
| O2 | C2 | C3 | H3 | 70.5° | 59.8° |
| H2 | C2 | O2 | HO2 | 59.8° | 60.0° |
| H2 | C2 | C3 | C4 | 52.9° | 179.9° |
| H2 | C2 | C3 | O3 | 69.1° | 60.0° |
| H2 | C2 | C3 | H3 | 170.8° | 60.3° |
| C4 | C3 | O3 | H3 | 122.1° | 120.3° |
| C4 | C3 | O3 | HO3 | 61.2° | 179.5° |
| C3 | C4 | N4 | C5 | 121.7° | 118.8° |
| C3 | C4 | N4 | H4 | 119.1° | 120.6° |
| C3 | C4 | C5 | H4 | 116.7° | 119.7° |
| C3 | C4 | N4 | C1H | 116.7° | 155.0° |
| C3 | C4 | N4 | HN4 | 121.9° | 81.0° |
| C3 | C4 | C5 | C6 | 158.1° | 131.3° |
| C3 | C4 | C5 | O5 | 43.9° | 48.7° |
| O3 | C3 | C4 | N4 | 58.1° | 172.7° |
| O3 | C3 | C4 | C5 | 178.2° | 67.7° |
| O3 | C3 | C4 | H4 | 61.8° | 52.0° |
| H3 | C3 | O3 | HO3 | 60.9° | 60.2° |
| H3 | C3 | C4 | N4 | 64.9° | 52.3° |
| H3 | C3 | C4 | C5 | 58.7° | 172.0° |
| H3 | C3 | C4 | H4 | 175.2° | 68.3° |
| N4 | C4 | C5 | H4 | 120.2° | 120.6° |
| C4 | N4 | C1H | HN4 | 121.4° | 123.9° |
| N4 | C4 | C5 | C6 | 35.1° | 109.0° |
| N4 | C4 | C5 | O5 | 167.0° | 71.0° |
| C4 | N4 | C1H | C2H | 144.4° | 153.3° |
| C4 | N4 | C1H | C6H | 1.7° | 85.0° |
| C4 | N4 | C1H | H1H | 109.7° | 34.2° |
| C5 | C4 | N4 | C1H | 121.6° | 86.2° |
| C5 | C4 | N4 | HN4 | 0.3° | 37.8° |
| C4 | C5 | C6 | O5 | 158.4° | 180.0° |
| C4 | C5 | C6 | H6 | 158.4° | 0.0° |
| C4 | C5 | C6 | H6A | 21.7° | 180.0° |
| H4 | C4 | N4 | C1H | 2.4° | 34.4° |
| H4 | C4 | N4 | HN4 | 119.0° | 158.3° |
| H4 | C4 | C5 | C6 | 85.1° | 11.7° |
| H4 | C4 | C5 | O5 | 72.8° | 168.4° |
| N4 | C1H | C2H | C6H | 149.9° | 120.5° |
| N4 | C1H | C2H | H1H | 106.1° | 119.1° |
| N4 | C1H | C6H | H1H | 108.1° | 119.1° |
| N4 | C1H | C2H | O2H | 46.0° | 53.9° |
| N4 | C1H | C2H | C3H | 79.2° | 173.8° |
| N4 | C1H | C2H | H2H | 167.5° | 66.3° |
| N4 | C1H | C6H | C5H | 106.8° | 142.7° |
| N4 | C1H | C6H | H6H | 73.2° | 37.3° |
| HN4 | N4 | C1H | C2H | 23.0° | 82.8° |
| HN4 | N4 | C1H | C6H | 123.1° | 39.0° |
| HN4 | N4 | C1H | H1H | 128.9° | 158.1° |
| C5 | C6 | H6 | H6A | 180.0° | 180.0° |
| O5 | C5 | C6 | H6 | 0.0° | 180.0° |
| O5 | C5 | C6 | H6A | 180.0° | 0.0° |
| C2H | C1H | C6H | H1H | 103.8° | 120.4° |
| C1H | C2H | O2H | C3H | 119.7° | 119.7° |
| C1H | C2H | O2H | H2H | 120.9° | 120.2° |
| C1H | C2H | C3H | H2H | 113.5° | 120.0° |
| C1H | C2H | O2H | HO2H | 180.0° | 179.9° |
| C1H | C2H | C3H | O3H | 178.7° | 56.8° |
| C1H | C2H | C3H | C4H | 58.4° | 62.6° |
| C1H | C2H | C3H | H3H | 58.8° | 177.9° |
| C2H | C1H | C6H | C5H | 41.3° | 22.2° |
| C2H | C1H | C6H | H6H | 138.7° | 157.7° |
| C6H | C1H | C2H | O2H | 164.1° | 66.6° |
| C6H | C1H | C2H | C3H | 70.7° | 53.3° |
| C6H | C1H | C2H | H2H | 42.6° | 173.2° |
| C1H | C6H | C5H | C4H | 1.1° | 0.6° |
| C1H | C6H | C5H | H6H | 180.0° | 179.9° |
| C1H | C6H | C5H | C7H | 179.4° | 179.3° |
| H1H | C1H | C2H | O2H | 60.1° | 172.9° |
| H1H | C1H | C2H | C3H | 174.7° | 67.1° |
| H1H | C1H | C2H | H2H | 61.4° | 52.8° |
| H1H | C1H | C6H | C5H | 145.1° | 98.2° |
| H1H | C1H | C6H | H6H | 34.9° | 81.9° |
| O2H | C2H | C3H | H2H | 120.1° | 120.1° |
| O2H | C2H | C3H | O3H | 52.3° | 176.7° |
| O2H | C2H | C3H | C4H | 175.2° | 57.3° |
| O2H | C2H | C3H | H3H | 67.6° | 62.2° |
| C3H | C2H | O2H | HO2H | 60.3° | 60.2° |
| C2H | C3H | O3H | C4H | 123.0° | 117.9° |
| C2H | C3H | O3H | H3H | 119.1° | 121.1° |
| C2H | C3H | C4H | H3H | 117.4° | 119.5° |
| C2H | C3H | O3H | HO3H | 140.2° | 180.0° |
| C2H | C3H | C4H | O4H | 161.7° | 137.9° |
| C2H | C3H | C4H | C5H | 20.9° | 42.1° |
| H2H | C2H | O2H | HO2H | 59.1° | 59.9° |
| H2H | C2H | C3H | O3H | 67.9° | 63.1° |
| H2H | C2H | C3H | C4H | 55.1° | 177.5° |
| H2H | C2H | C3H | H3H | 172.2° | 57.9° |
| O3H | C3H | C4H | H3H | 119.0° | 121.0° |
| O3H | C3H | C4H | O4H | 38.1° | 102.7° |
| O3H | C3H | C4H | C5H | 144.4° | 77.3° |
| C4H | C3H | O3H | HO3H | 17.1° | 62.1° |
| C3H | C4H | O4H | C5H | 177.4° | 180.0° |
| C3H | C4H | C5H | C6H | 11.0° | 11.5° |
| C3H | C4H | C5H | C7H | 169.5° | 168.4° |
| H3H | C3H | O3H | HO3H | 100.8° | 58.9° |
| H3H | C3H | C4H | O4H | 80.9° | 18.3° |
| H3H | C3H | C4H | C5H | 96.6° | 161.6° |
| O4H | C4H | C5H | C6H | 166.5° | 168.5° |
| O4H | C4H | C5H | C7H | 13.1° | 11.6° |
| C4H | C5H | C6H | C7H | 179.5° | 179.9° |
| C4H | C5H | C6H | H6H | 178.9° | 179.4° |
| C4H | C5H | C7H | O7H | 115.5° | 0.1° |
| C4H | C5H | C7H | H7H | 64.5° | 180.0° |
| C6H | C5H | C7H | O7H | 65.0° | 180.0° |
| C6H | C5H | C7H | H7H | 115.0° | 0.0° |
| C7H | C5H | C6H | H6H | 0.6° | 0.7° |
| C5H | C7H | O7H | H7H | 180.0° | 180.0° |
