Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | O1 | doub | 1.21Å | 1.25Å | |
| C1 | O2 | sing | 1.34Å | 1.25Å | |
| C1 | C2 | sing | 1.51Å | 1.52Å | |
| O2 | HO2 | sing | 0.97Å | 0.95Å | |
| C2 | O3 | sing | 1.43Å | 1.21Å | |
| C2 | C3 | sing | 1.53Å | 1.53Å | |
| C2 | H2 | sing | 1.09Å | 1.11Å | |
| O3 | HO3 | sing | 0.97Å | 0.95Å | |
| C3 | C1' | sing | 1.51Å | 1.49Å | |
| C3 | H31 | sing | 1.09Å | 1.11Å | |
| C3 | H32 | sing | 1.09Å | 1.11Å | |
| C1' | C2' | doub | 1.38Å | 1.42Å | Aromatic |
| C1' | C6' | sing | 1.38Å | 1.41Å | Aromatic |
| C2' | C3' | sing | 1.38Å | 1.41Å | Aromatic |
| C2' | H2' | sing | 1.08Å | 1.10Å | |
| C3' | C4' | doub | 1.38Å | 1.40Å | Aromatic |
| C3' | H3' | sing | 1.08Å | 1.10Å | |
| C4' | C5' | sing | 1.38Å | 1.40Å | Aromatic |
| C4' | H4' | sing | 1.08Å | 1.10Å | |
| C5' | C6' | doub | 1.38Å | 1.39Å | Aromatic |
| C5' | H5' | sing | 1.08Å | 1.10Å | |
| C6' | H6' | sing | 1.08Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C1 | O2 | 128.0° | 119.9° |
| O1 | C1 | C2 | 124.4° | 120.1° |
| O2 | C1 | C2 | 107.5° | 120.0° |
| C1 | O2 | HO2 | 128.1° | 120.0° |
| C1 | C2 | O3 | 113.7° | 109.4° |
| C1 | C2 | C3 | 111.2° | 109.5° |
| C1 | C2 | H2 | 106.4° | 109.5° |
| O3 | C2 | C3 | 112.8° | 109.5° |
| O3 | C2 | H2 | 104.6° | 109.4° |
| C2 | O3 | HO3 | 113.7° | 106.8° |
| C3 | C2 | H2 | 107.5° | 109.5° |
| C2 | C3 | C1' | 108.5° | 109.5° |
| C2 | C3 | H31 | 112.5° | 109.5° |
| C2 | C3 | H32 | 112.6° | 109.5° |
| C1' | C3 | H31 | 112.6° | 109.4° |
| C1' | C3 | H32 | 112.6° | 109.5° |
| C3 | C1' | C2' | 117.9° | 120.1° |
| C3 | C1' | C6' | 126.8° | 120.0° |
| H31 | C3 | H32 | 97.9° | 109.4° |
| C2' | C1' | C6' | 115.2° | 120.0° |
| C1' | C2' | C3' | 122.0° | 120.0° |
| C1' | C2' | H2' | 119.3° | 120.0° |
| C1' | C6' | C5' | 124.0° | 120.0° |
| C1' | C6' | H6' | 118.6° | 120.1° |
| C3' | C2' | H2' | 118.7° | 120.0° |
| C2' | C3' | C4' | 120.8° | 120.0° |
| C2' | C3' | H3' | 119.8° | 120.0° |
| C4' | C3' | H3' | 119.3° | 120.1° |
| C3' | C4' | C5' | 118.5° | 120.0° |
| C3' | C4' | H4' | 120.5° | 119.9° |
| C5' | C4' | H4' | 120.9° | 120.0° |
| C4' | C5' | C6' | 119.5° | 120.0° |
| C4' | C5' | H5' | 120.6° | 120.0° |
| C6' | C5' | H5' | 119.9° | 120.0° |
| C5' | C6' | H6' | 117.5° | 119.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C1 | O2 | C2 | 176.4° | 179.9° |
| O1 | C1 | O2 | HO2 | 180.0° | 0.1° |
| O1 | C1 | C2 | O3 | 62.6° | 0.1° |
| O1 | C1 | C2 | C3 | 65.9° | 120.0° |
| O1 | C1 | C2 | H2 | 177.3° | 119.9° |
| O2 | C1 | C2 | O3 | 120.8° | 179.9° |
| O2 | C1 | C2 | C3 | 110.6° | 60.1° |
| O2 | C1 | C2 | H2 | 6.1° | 60.0° |
| C2 | C1 | O2 | HO2 | 3.6° | 180.0° |
| C1 | C2 | O3 | C3 | 127.8° | 120.0° |
| C1 | C2 | O3 | H2 | 115.7° | 120.0° |
| C1 | C2 | C3 | H2 | 116.1° | 120.1° |
| C1 | C2 | O3 | HO3 | 180.0° | 59.9° |
| C1 | C2 | C3 | C1' | 79.1° | 179.9° |
| C1 | C2 | C3 | H31 | 155.6° | 59.9° |
| C1 | C2 | C3 | H32 | 46.1° | 60.1° |
| O3 | C2 | C3 | H2 | 114.8° | 120.0° |
| O3 | C2 | C3 | C1' | 151.8° | 60.0° |
| O3 | C2 | C3 | H31 | 26.6° | 60.0° |
| O3 | C2 | C3 | H32 | 82.9° | 180.0° |
| C3 | C2 | O3 | HO3 | 52.2° | 60.0° |
| C2 | C3 | C1' | H31 | 125.2° | 120.0° |
| C2 | C3 | C1' | H32 | 125.2° | 120.0° |
| C2 | C3 | H31 | H32 | 118.5° | 120.0° |
| C2 | C3 | C1' | C2' | 100.6° | 90.0° |
| C2 | C3 | C1' | C6' | 82.0° | 90.3° |
| H2 | C2 | O3 | HO3 | 64.3° | 179.9° |
| H2 | C2 | C3 | C1' | 37.0° | 60.0° |
| H2 | C2 | C3 | H31 | 88.2° | 180.0° |
| H2 | C2 | C3 | H32 | 162.3° | 60.0° |
| C1' | C3 | H31 | H32 | 118.5° | 120.0° |
| C3 | C1' | C2' | C6' | 177.7° | 179.7° |
| C3 | C1' | C2' | C3' | 178.0° | 180.0° |
| C3 | C1' | C2' | H2' | 2.0° | 0.0° |
| C3 | C1' | C6' | C5' | 179.4° | 179.8° |
| C3 | C1' | C6' | H6' | 0.6° | 0.2° |
| H31 | C3 | C1' | C2' | 134.2° | 30.0° |
| H31 | C3 | C1' | C6' | 43.3° | 149.7° |
| H32 | C3 | C1' | C2' | 24.6° | 150.0° |
| H32 | C3 | C1' | C6' | 152.8° | 29.7° |
| C1' | C2' | C3' | H2' | 179.9° | 180.0° |
| C1' | C2' | C3' | C4' | 0.9° | 0.0° |
| C1' | C2' | C3' | H3' | 179.1° | 179.9° |
| C2' | C1' | C6' | C5' | 1.9° | 0.5° |
| C2' | C1' | C6' | H6' | 178.1° | 180.0° |
| C6' | C1' | C2' | C3' | 0.3° | 0.3° |
| C6' | C1' | C2' | H2' | 179.7° | 179.7° |
| C1' | C6' | C5' | C4' | 2.2° | 0.4° |
| C1' | C6' | C5' | H6' | 179.9° | 179.6° |
| C1' | C6' | C5' | H5' | 177.8° | 179.7° |
| C2' | C3' | C4' | H3' | 180.0° | 179.9° |
| C2' | C3' | C4' | C5' | 0.7° | 0.0° |
| C2' | C3' | C4' | H4' | 179.2° | 179.9° |
| H2' | C2' | C3' | C4' | 179.0° | 180.0° |
| H2' | C2' | C3' | H3' | 1.0° | 0.1° |
| C3' | C4' | C5' | H4' | 179.9° | 180.0° |
| C3' | C4' | C5' | C6' | 0.8° | 0.2° |
| C3' | C4' | C5' | H5' | 179.2° | 179.9° |
| H3' | C3' | C4' | C5' | 179.3° | 180.0° |
| H3' | C3' | C4' | H4' | 0.7° | 0.0° |
| C4' | C5' | C6' | H5' | 180.0° | 179.9° |
| C4' | C5' | C6' | H6' | 177.8° | 180.0° |
| H4' | C4' | C5' | C6' | 179.2° | 179.9° |
| H4' | C4' | C5' | H5' | 0.8° | 0.0° |
| H5' | C5' | C6' | H6' | 2.2° | 0.1° |
