IOP
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1' | O1 | doub | 1.21Å | 1.21Å | |
| C1' | O2 | sing | 1.34Å | 1.30Å | |
| C1' | C2' | sing | 1.51Å | 1.52Å | |
| O2 | HO2 | sing | 0.97Å | 0.95Å | |
| C2' | C3' | sing | 1.53Å | 1.52Å | |
| C2' | H2'1 | sing | 1.09Å | 1.12Å | |
| C2' | H2'2 | sing | 1.09Å | 1.12Å | |
| C3' | C3 | sing | 1.51Å | 1.49Å | |
| C3' | H3'1 | sing | 1.09Å | 1.11Å | |
| C3' | H3'2 | sing | 1.09Å | 1.12Å | |
| N1 | C2 | sing | 1.37Å | 1.38Å | Aromatic |
| N1 | C7A | sing | 1.38Å | 1.38Å | Aromatic |
| N1 | HN1 | sing | 0.97Å | 1.02Å | |
| C2 | C3 | doub | 1.34Å | 1.37Å | Aromatic |
| C2 | H2 | sing | 1.08Å | 1.10Å | |
| C3 | C3A | sing | 1.46Å | 1.42Å | Aromatic |
| C3A | C4 | doub | 1.40Å | 1.39Å | Aromatic |
| C3A | C7A | sing | 1.41Å | 1.40Å | Aromatic |
| C4 | C5 | sing | 1.37Å | 1.37Å | Aromatic |
| C4 | H4 | sing | 1.08Å | 1.10Å | |
| C5 | C6 | doub | 1.39Å | 1.39Å | Aromatic |
| C5 | H5 | sing | 1.08Å | 1.10Å | |
| C6 | C7 | sing | 1.38Å | 1.38Å | Aromatic |
| C6 | H6 | sing | 1.08Å | 1.10Å | |
| C7 | C7A | doub | 1.39Å | 1.39Å | Aromatic |
| C7 | H7 | sing | 1.08Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C1' | O2 | 124.1° | 120.0° |
| O1 | C1' | C2' | 113.5° | 120.0° |
| O2 | C1' | C2' | 122.3° | 120.0° |
| C1' | O2 | HO2 | 124.1° | 120.0° |
| C1' | C2' | C3' | 105.1° | 109.5° |
| C1' | C2' | H2'1 | 113.9° | 109.5° |
| C1' | C2' | H2'2 | 113.9° | 109.4° |
| C3' | C2' | H2'1 | 113.8° | 109.5° |
| C3' | C2' | H2'2 | 113.8° | 109.5° |
| C2' | C3' | C3 | 108.5° | 109.5° |
| C2' | C3' | H3'1 | 112.6° | 109.5° |
| C2' | C3' | H3'2 | 112.6° | 109.5° |
| H2'1 | C2' | H2'2 | 96.6° | 109.5° |
| C3 | C3' | H3'1 | 112.6° | 109.4° |
| C3 | C3' | H3'2 | 112.6° | 109.5° |
| C3' | C3 | C2 | 128.7° | 126.5° |
| C3' | C3 | C3A | 124.3° | 126.5° |
| H3'1 | C3' | H3'2 | 97.9° | 109.5° |
| C2 | N1 | C7A | 108.1° | 109.9° |
| C2 | N1 | HN1 | 125.8° | 125.0° |
| N1 | C2 | C3 | 109.8° | 109.9° |
| N1 | C2 | H2 | 125.4° | 125.0° |
| C7A | N1 | HN1 | 126.1° | 125.1° |
| N1 | C7A | C3A | 107.7° | 107.1° |
| N1 | C7A | C7 | 132.0° | 133.5° |
| C3 | C2 | H2 | 124.8° | 125.1° |
| C2 | C3 | C3A | 106.9° | 107.0° |
| C3 | C3A | C4 | 132.6° | 134.0° |
| C3 | C3A | C7A | 107.4° | 106.1° |
| C4 | C3A | C7A | 120.0° | 119.9° |
| C3A | C4 | C5 | 119.7° | 119.8° |
| C3A | C4 | H4 | 120.9° | 120.1° |
| C3A | C7A | C7 | 120.3° | 119.4° |
| C5 | C4 | H4 | 119.3° | 120.1° |
| C4 | C5 | C6 | 120.3° | 120.5° |
| C4 | C5 | H5 | 119.1° | 119.7° |
| C6 | C5 | H5 | 120.6° | 119.7° |
| C5 | C6 | C7 | 121.4° | 120.7° |
| C5 | C6 | H6 | 119.4° | 119.7° |
| C7 | C6 | H6 | 119.3° | 119.7° |
| C6 | C7 | C7A | 118.3° | 119.8° |
| C6 | C7 | H7 | 120.5° | 120.1° |
| C7A | C7 | H7 | 121.2° | 120.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C1' | O2 | C2' | 177.8° | 180.0° |
| O1 | C1' | O2 | HO2 | 180.0° | 0.0° |
| O1 | C1' | C2' | C3' | 136.3° | 0.0° |
| O1 | C1' | C2' | H2'1 | 98.4° | 120.0° |
| O1 | C1' | C2' | H2'2 | 11.1° | 120.0° |
| O2 | C1' | C2' | C3' | 41.7° | 180.0° |
| O2 | C1' | C2' | H2'1 | 83.6° | 60.0° |
| O2 | C1' | C2' | H2'2 | 166.9° | 60.0° |
| C2' | C1' | O2 | HO2 | 2.2° | 180.0° |
| C1' | C2' | C3' | H2'1 | 125.3° | 120.0° |
| C1' | C2' | C3' | H2'2 | 125.3° | 120.0° |
| C1' | C2' | H2'1 | H2'2 | 119.8° | 119.9° |
| C1' | C2' | C3' | C3 | 64.1° | 180.0° |
| C1' | C2' | C3' | H3'1 | 61.2° | 60.0° |
| C1' | C2' | C3' | H3'2 | 170.7° | 60.0° |
| C3' | C2' | H2'1 | H2'2 | 119.7° | 120.0° |
| C2' | C3' | C3 | H3'1 | 125.3° | 120.0° |
| C2' | C3' | C3 | H3'2 | 125.2° | 120.0° |
| C2' | C3' | H3'1 | H3'2 | 118.5° | 120.1° |
| C2' | C3' | C3 | C2 | 109.9° | 90.0° |
| C2' | C3' | C3 | C3A | 68.3° | 90.3° |
| H2'1 | C2' | C3' | C3 | 170.7° | 60.0° |
| H2'1 | C2' | C3' | H3'1 | 64.1° | 180.0° |
| H2'1 | C2' | C3' | H3'2 | 45.4° | 60.0° |
| H2'2 | C2' | C3' | C3 | 61.2° | 60.0° |
| H2'2 | C2' | C3' | H3'1 | 173.5° | 59.9° |
| H2'2 | C2' | C3' | H3'2 | 64.1° | 180.0° |
| C3 | C3' | H3'1 | H3'2 | 118.5° | 120.0° |
| C3' | C3 | C2 | N1 | 179.2° | 179.9° |
| C3' | C3 | C2 | C3A | 178.4° | 179.8° |
| C3' | C3 | C2 | H2 | 0.8° | 0.0° |
| C3' | C3 | C3A | C4 | 1.1° | 0.7° |
| C3' | C3 | C3A | C7A | 178.8° | 179.9° |
| H3'1 | C3' | C3 | C2 | 15.4° | 30.0° |
| H3'1 | C3' | C3 | C3A | 166.4° | 149.7° |
| H3'2 | C3' | C3 | C2 | 124.9° | 150.0° |
| H3'2 | C3' | C3 | C3A | 57.0° | 29.7° |
| C2 | N1 | C7A | HN1 | 180.0° | 180.0° |
| N1 | C2 | C3 | H2 | 180.0° | 180.0° |
| N1 | C2 | C3 | C3A | 0.8° | 0.2° |
| C2 | N1 | C7A | C3A | 0.8° | 0.3° |
| C2 | N1 | C7A | C7 | 179.0° | 180.0° |
| C7A | N1 | C2 | C3 | 1.0° | 0.0° |
| C7A | N1 | C2 | H2 | 179.0° | 180.0° |
| N1 | C7A | C3A | C3 | 0.3° | 0.4° |
| N1 | C7A | C3A | C4 | 179.7° | 179.7° |
| N1 | C7A | C3A | C7 | 179.8° | 179.8° |
| N1 | C7A | C7 | C6 | 179.2° | 180.0° |
| N1 | C7A | C7 | H7 | 0.7° | 0.1° |
| HN1 | N1 | C2 | C3 | 178.9° | 180.0° |
| HN1 | N1 | C2 | H2 | 1.0° | 0.0° |
| HN1 | N1 | C7A | C3A | 179.1° | 179.8° |
| HN1 | N1 | C7A | C7 | 1.1° | 0.0° |
| C2 | C3 | C3A | C4 | 179.6° | 179.5° |
| C2 | C3 | C3A | C7A | 0.3° | 0.3° |
| H2 | C2 | C3 | C3A | 179.2° | 179.8° |
| C3 | C3A | C4 | C7A | 179.9° | 179.1° |
| C3 | C3A | C4 | C5 | 179.5° | 179.6° |
| C3 | C3A | C4 | H4 | 0.4° | 0.7° |
| C3 | C3A | C7A | C7 | 179.5° | 179.8° |
| C3A | C4 | C5 | H4 | 180.0° | 179.7° |
| C3A | C4 | C5 | C6 | 1.0° | 0.3° |
| C3A | C4 | C5 | H5 | 179.0° | 179.7° |
| C4 | C3A | C7A | C7 | 0.4° | 0.5° |
| C7A | C3A | C4 | C5 | 0.6° | 0.6° |
| C7A | C3A | C4 | H4 | 179.4° | 179.7° |
| C3A | C7A | C7 | C6 | 1.0° | 0.2° |
| C3A | C7A | C7 | H7 | 179.0° | 179.8° |
| C4 | C5 | C6 | H5 | 180.0° | 180.0° |
| C4 | C5 | C6 | C7 | 0.4° | 0.0° |
| C4 | C5 | C6 | H6 | 179.7° | 180.0° |
| H4 | C4 | C5 | C6 | 179.1° | 180.0° |
| H4 | C4 | C5 | H5 | 1.0° | 0.0° |
| C5 | C6 | C7 | H6 | 180.0° | 180.0° |
| C5 | C6 | C7 | C7A | 0.6° | 0.0° |
| C5 | C6 | C7 | H7 | 179.4° | 179.9° |
| H5 | C5 | C6 | C7 | 179.6° | 180.0° |
| H5 | C5 | C6 | H6 | 0.3° | 0.0° |
| C6 | C7 | C7A | H7 | 179.9° | 180.0° |
| H6 | C6 | C7 | C7A | 179.3° | 180.0° |
| H6 | C6 | C7 | H7 | 0.6° | 0.1° |
