AHU
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C4' | C7' | sing | 1.53Å | 1.63Å | |
| C4' | O5' | sing | 1.43Å | 1.44Å | |
| C4' | C3' | sing | 1.53Å | 1.44Å | |
| C4' | H4' | sing | 1.09Å | 1.12Å | |
| C7' | O7' | sing | 1.43Å | 1.51Å | |
| C7' | H7'1 | sing | 1.09Å | 1.11Å | |
| C7' | H7'2 | sing | 1.09Å | 1.12Å | |
| O7' | HO'7 | sing | 0.97Å | 0.95Å | |
| O5' | C6' | sing | 1.43Å | 1.44Å | |
| C6' | C1' | sing | 1.53Å | 1.46Å | |
| C6' | H6'1 | sing | 1.09Å | 1.11Å | |
| C6' | H6'2 | sing | 1.09Å | 1.12Å | |
| C1' | C2' | sing | 1.53Å | 1.44Å | |
| C1' | N1 | sing | 1.47Å | 1.47Å | |
| C1' | H1' | sing | 1.09Å | 1.11Å | |
| C2' | C3' | sing | 1.53Å | 1.50Å | |
| C2' | H2'1 | sing | 1.09Å | 1.11Å | |
| C2' | H2'2 | sing | 1.09Å | 1.12Å | |
| C3' | O3' | sing | 1.43Å | 1.39Å | |
| C3' | H3' | sing | 1.09Å | 1.12Å | |
| O3' | HO'3 | sing | 0.97Å | 0.95Å | |
| N1 | C6 | sing | 1.37Å | 1.41Å | |
| N1 | C2 | sing | 1.35Å | 1.33Å | |
| C6 | C5 | doub | 1.35Å | 1.32Å | |
| C6 | H6 | sing | 1.08Å | 1.10Å | |
| C2 | O2 | doub | 1.22Å | 1.19Å | |
| C2 | N3 | sing | 1.34Å | 1.25Å | |
| N3 | C4 | sing | 1.35Å | 1.35Å | |
| N3 | HN3 | sing | 0.97Å | 1.02Å | |
| C4 | O4 | doub | 1.22Å | 1.22Å | |
| C4 | C5 | sing | 1.42Å | 1.45Å | |
| C5 | I | sing | 2.09Å | 2.06Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C7' | C4' | O5' | 113.7° | 109.4° |
| C7' | C4' | C3' | 118.2° | 109.5° |
| C7' | C4' | H4' | 97.1° | 109.4° |
| C4' | C7' | O7' | 117.6° | 109.5° |
| C4' | C7' | H7'1 | 109.3° | 109.5° |
| C4' | C7' | H7'2 | 109.3° | 109.5° |
| O5' | C4' | C3' | 96.5° | 109.7° |
| O5' | C4' | H4' | 118.6° | 109.4° |
| C4' | O5' | C6' | 112.8° | 107.7° |
| C3' | C4' | H4' | 114.2° | 109.4° |
| C4' | C3' | C2' | 113.4° | 109.1° |
| C4' | C3' | O3' | 103.3° | 109.6° |
| C4' | C3' | H3' | 111.4° | 109.6° |
| O7' | C7' | H7'1 | 109.3° | 109.5° |
| O7' | C7' | H7'2 | 109.2° | 109.4° |
| C7' | O7' | HO'7 | 117.6° | 106.8° |
| H7'1 | C7' | H7'2 | 100.8° | 109.5° |
| O5' | C6' | C1' | 107.4° | 109.8° |
| O5' | C6' | H6'1 | 113.0° | 109.4° |
| O5' | C6' | H6'2 | 113.0° | 109.4° |
| C1' | C6' | H6'1 | 113.0° | 109.4° |
| C1' | C6' | H6'2 | 113.0° | 109.4° |
| C6' | C1' | C2' | 109.0° | 109.0° |
| C6' | C1' | N1 | 106.3° | 109.6° |
| C6' | C1' | H1' | 112.1° | 109.6° |
| H6'1 | C6' | H6'2 | 97.5° | 109.3° |
| C2' | C1' | N1 | 110.2° | 109.6° |
| C2' | C1' | H1' | 108.3° | 109.5° |
| C1' | C2' | C3' | 115.3° | 108.6° |
| C1' | C2' | H2'1 | 110.1° | 109.6° |
| C1' | C2' | H2'2 | 110.1° | 109.6° |
| N1 | C1' | H1' | 110.9° | 109.5° |
| C1' | N1 | C6 | 125.2° | 119.6° |
| C1' | N1 | C2 | 113.4° | 119.7° |
| C3' | C2' | H2'1 | 110.1° | 109.7° |
| C3' | C2' | H2'2 | 110.1° | 109.7° |
| C2' | C3' | O3' | 110.6° | 109.5° |
| C2' | C3' | H3' | 104.2° | 109.5° |
| H2'1 | C2' | H2'2 | 100.1° | 109.8° |
| O3' | C3' | H3' | 114.2° | 109.5° |
| C3' | O3' | HO'3 | 103.3° | 106.8° |
| C6 | N1 | C2 | 121.4° | 120.7° |
| N1 | C6 | C5 | 121.2° | 119.6° |
| N1 | C6 | H6 | 122.5° | 120.2° |
| N1 | C2 | O2 | 123.2° | 119.5° |
| N1 | C2 | N3 | 118.1° | 120.9° |
| C5 | C6 | H6 | 116.3° | 120.1° |
| C6 | C5 | C4 | 115.1° | 119.1° |
| C6 | C5 | I | 120.5° | 120.5° |
| O2 | C2 | N3 | 118.7° | 119.6° |
| C2 | N3 | C4 | 125.9° | 120.3° |
| C2 | N3 | HN3 | 112.5° | 119.8° |
| C4 | N3 | HN3 | 121.6° | 119.9° |
| N3 | C4 | O4 | 112.6° | 120.3° |
| N3 | C4 | C5 | 118.3° | 119.4° |
| O4 | C4 | C5 | 129.1° | 120.3° |
| C4 | C5 | I | 124.4° | 120.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C7' | C4' | O5' | C3' | 124.7° | 120.1° |
| C7' | C4' | O5' | H4' | 113.2° | 119.9° |
| C7' | C4' | C3' | H4' | 113.2° | 119.9° |
| C4' | C7' | O7' | H7'1 | 125.3° | 120.0° |
| C4' | C7' | O7' | H7'2 | 125.3° | 120.0° |
| C4' | C7' | H7'1 | H7'2 | 115.0° | 120.0° |
| C4' | C7' | O7' | HO'7 | 180.0° | 180.0° |
| C7' | C4' | O5' | C6' | 49.3° | 172.3° |
| C7' | C4' | C3' | C2' | 60.2° | 178.6° |
| C7' | C4' | C3' | O3' | 179.9° | 58.7° |
| C7' | C4' | C3' | H3' | 57.0° | 61.5° |
| O5' | C4' | C3' | H4' | 125.4° | 120.0° |
| O5' | C4' | C7' | O7' | 48.9° | 59.9° |
| O5' | C4' | C7' | H7'1 | 76.4° | 60.1° |
| O5' | C4' | C7' | H7'2 | 174.1° | 179.9° |
| C4' | O5' | C6' | C1' | 73.6° | 67.6° |
| C4' | O5' | C6' | H6'1 | 161.1° | 52.5° |
| C4' | O5' | C6' | H6'2 | 51.6° | 172.3° |
| O5' | C4' | C3' | C2' | 61.2° | 61.3° |
| O5' | C4' | C3' | O3' | 58.6° | 178.8° |
| O5' | C4' | C3' | H3' | 178.4° | 58.6° |
| C3' | C4' | C7' | O7' | 63.2° | 179.8° |
| C3' | C4' | C7' | H7'1 | 171.5° | 60.1° |
| C3' | C4' | C7' | H7'2 | 62.1° | 59.9° |
| C3' | C4' | O5' | C6' | 75.4° | 67.6° |
| C4' | C3' | C2' | C1' | 52.4° | 53.8° |
| C4' | C3' | C2' | O3' | 115.5° | 119.9° |
| C4' | C3' | C2' | H3' | 121.3° | 120.0° |
| C4' | C3' | C2' | H2'1 | 177.8° | 65.9° |
| C4' | C3' | C2' | H2'2 | 72.9° | 173.5° |
| C4' | C3' | O3' | H3' | 121.2° | 120.3° |
| C4' | C3' | O3' | HO'3 | 180.0° | 60.4° |
| H4' | C4' | C7' | O7' | 174.5° | 60.0° |
| H4' | C4' | C7' | H7'1 | 49.2° | 180.0° |
| H4' | C4' | C7' | H7'2 | 60.3° | 60.0° |
| H4' | C4' | O5' | C6' | 162.5° | 52.4° |
| H4' | C4' | C3' | C2' | 173.4° | 58.7° |
| H4' | C4' | C3' | O3' | 66.8° | 61.2° |
| H4' | C4' | C3' | H3' | 56.2° | 178.6° |
| O7' | C7' | H7'1 | H7'2 | 115.0° | 120.0° |
| H7'1 | C7' | O7' | HO'7 | 54.8° | 60.0° |
| H7'2 | C7' | O7' | HO'7 | 54.7° | 60.0° |
| O5' | C6' | C1' | H6'1 | 125.3° | 120.1° |
| O5' | C6' | C1' | H6'2 | 125.2° | 120.1° |
| O5' | C6' | H6'1 | H6'2 | 118.9° | 119.8° |
| O5' | C6' | C1' | C2' | 49.7° | 61.3° |
| O5' | C6' | C1' | N1 | 168.4° | 58.7° |
| O5' | C6' | C1' | H1' | 70.2° | 178.9° |
| C1' | C6' | H6'1 | H6'2 | 118.9° | 119.8° |
| C6' | C1' | C2' | N1 | 116.3° | 119.9° |
| C6' | C1' | C2' | H1' | 122.2° | 119.9° |
| C6' | C1' | N1 | H1' | 122.1° | 120.2° |
| C6' | C1' | C2' | C3' | 42.2° | 53.7° |
| C6' | C1' | C2' | H2'1 | 167.5° | 66.0° |
| C6' | C1' | C2' | H2'2 | 83.1° | 173.4° |
| C6' | C1' | N1 | C6 | 73.8° | 2.7° |
| C6' | C1' | N1 | C2 | 107.5° | 177.7° |
| H6'1 | C6' | C1' | C2' | 174.9° | 58.9° |
| H6'1 | C6' | C1' | N1 | 66.3° | 178.8° |
| H6'1 | C6' | C1' | H1' | 55.0° | 61.0° |
| H6'2 | C6' | C1' | C2' | 75.6° | 178.6° |
| H6'2 | C6' | C1' | N1 | 43.2° | 61.4° |
| H6'2 | C6' | C1' | H1' | 164.5° | 58.8° |
| C2' | C1' | N1 | H1' | 120.0° | 120.2° |
| C1' | C2' | C3' | H2'1 | 125.3° | 119.7° |
| C1' | C2' | C3' | H2'2 | 125.3° | 119.7° |
| C1' | C2' | H2'1 | H2'2 | 115.9° | 120.4° |
| C1' | C2' | C3' | O3' | 63.1° | 173.7° |
| C1' | C2' | C3' | H3' | 173.8° | 66.2° |
| C2' | C1' | N1 | C6 | 44.1° | 116.9° |
| C2' | C1' | N1 | C2 | 134.6° | 62.7° |
| N1 | C1' | C2' | C3' | 158.5° | 66.2° |
| N1 | C1' | C2' | H2'1 | 76.2° | 174.0° |
| N1 | C1' | C2' | H2'2 | 33.2° | 53.5° |
| C1' | N1 | C6 | C2 | 178.6° | 179.7° |
| C1' | N1 | C6 | C5 | 179.4° | 180.0° |
| C1' | N1 | C6 | H6 | 0.6° | 0.2° |
| C1' | N1 | C2 | O2 | 1.0° | 0.3° |
| C1' | N1 | C2 | N3 | 179.7° | 179.7° |
| H1' | C1' | C2' | C3' | 80.0° | 173.6° |
| H1' | C1' | C2' | H2'1 | 45.3° | 53.8° |
| H1' | C1' | C2' | H2'2 | 154.7° | 66.7° |
| H1' | C1' | N1 | C6 | 164.1° | 122.9° |
| H1' | C1' | N1 | C2 | 14.6° | 57.4° |
| C3' | C2' | H2'1 | H2'2 | 115.9° | 120.5° |
| C2' | C3' | O3' | H3' | 117.2° | 120.1° |
| C2' | C3' | O3' | HO'3 | 58.3° | 180.0° |
| H2'1 | C2' | C3' | O3' | 62.2° | 54.0° |
| H2'1 | C2' | C3' | H3' | 60.9° | 174.1° |
| H2'2 | C2' | C3' | O3' | 171.6° | 66.6° |
| H2'2 | C2' | C3' | H3' | 48.5° | 53.5° |
| H3' | C3' | O3' | HO'3 | 58.8° | 59.8° |
| N1 | C6 | C5 | H6 | 180.0° | 179.8° |
| C6 | N1 | C2 | O2 | 177.8° | 179.9° |
| C6 | N1 | C2 | N3 | 0.9° | 0.6° |
| N1 | C6 | C5 | C4 | 0.9° | 0.0° |
| N1 | C6 | C5 | I | 178.2° | 180.0° |
| C2 | N1 | C6 | C5 | 0.7° | 0.3° |
| C2 | N1 | C6 | H6 | 179.3° | 179.8° |
| N1 | C2 | O2 | N3 | 178.7° | 179.4° |
| N1 | C2 | N3 | C4 | 1.4° | 0.6° |
| N1 | C2 | N3 | HN3 | 178.6° | 179.7° |
| C6 | C5 | C4 | N3 | 1.3° | 0.0° |
| C6 | C5 | C4 | O4 | 178.1° | 180.0° |
| C6 | C5 | C4 | I | 179.1° | 180.0° |
| H6 | C6 | C5 | C4 | 179.1° | 179.9° |
| H6 | C6 | C5 | I | 1.8° | 0.1° |
| O2 | C2 | N3 | C4 | 177.4° | 180.0° |
| O2 | C2 | N3 | HN3 | 2.6° | 0.2° |
| C2 | N3 | C4 | HN3 | 180.0° | 179.8° |
| C2 | N3 | C4 | O4 | 177.8° | 179.7° |
| C2 | N3 | C4 | C5 | 1.7° | 0.3° |
| N3 | C4 | O4 | C5 | 179.4° | 180.0° |
| N3 | C4 | C5 | I | 177.8° | 180.0° |
| HN3 | N3 | C4 | O4 | 2.1° | 0.0° |
| HN3 | N3 | C4 | C5 | 178.4° | 180.0° |
| O4 | C4 | C5 | I | 2.8° | 0.0° |
