ISC
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C | C1 | sing | 1.42Å | 1.52Å | |
| C | O1 | doub | 1.22Å | 1.24Å | |
| C | O2 | sing | 1.35Å | 1.25Å | |
| C1 | C2 | sing | 1.51Å | 1.53Å | |
| C1 | C6 | doub | 1.35Å | 1.47Å | |
| C2 | C3 | sing | 1.53Å | 1.35Å | |
| C2 | O3 | sing | 1.43Å | 1.36Å | |
| C3 | C4 | sing | 1.50Å | 1.48Å | |
| C3 | O3' | sing | 1.43Å | 1.42Å | |
| C4 | C5 | doub | 1.33Å | 1.39Å | |
| C5 | C6 | sing | 1.46Å | 1.41Å | |
| C1' | O1' | sing | 1.35Å | 1.26Å | |
| C1' | C2' | sing | 1.47Å | 1.45Å | |
| C1' | O2' | doub | 1.21Å | 1.25Å | |
| C2' | C3' | doub | 1.33Å | 1.43Å | |
| C2' | O3' | sing | 1.36Å | 1.37Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| O3 | HO3 | sing | 0.97Å | 0.95Å | |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C3' | H3' | sing | 1.08Å | 1.08Å | |
| C3' | H3'A | sing | 1.08Å | 1.08Å | |
| O1' | HO1' | sing | 0.97Å | 0.95Å | |
| O2 | HO2 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | C | O1 | 125.5° | 120.0° |
| C1 | C | O2 | 112.5° | 120.0° |
| C | C1 | C2 | 124.1° | 120.1° |
| C | C1 | C6 | 118.3° | 120.0° |
| O1 | C | O2 | 122.0° | 120.0° |
| C | O2 | HO2 | 109.5° | 114.0° |
| C2 | C1 | C6 | 117.5° | 119.9° |
| C1 | C2 | C3 | 118.0° | 109.9° |
| C1 | C2 | O3 | 109.3° | 109.4° |
| C1 | C2 | H2 | 108.5° | 109.4° |
| C1 | C6 | C5 | 117.4° | 119.5° |
| C1 | C6 | H6 | 121.3° | 120.2° |
| C3 | C2 | O3 | 120.1° | 109.4° |
| C2 | C3 | C4 | 115.6° | 110.0° |
| C2 | C3 | O3' | 111.1° | 109.4° |
| C3 | C2 | H2 | 92.6° | 109.4° |
| C2 | C3 | H3 | 102.7° | 109.4° |
| O3 | C2 | H2 | 105.4° | 109.3° |
| C2 | O3 | HO3 | 109.5° | 114.0° |
| C4 | C3 | O3' | 105.2° | 109.4° |
| C3 | C4 | C5 | 120.9° | 120.4° |
| C4 | C3 | H3 | 108.9° | 109.3° |
| C3 | C4 | H4 | 119.6° | 119.8° |
| C3 | O3' | C2' | 124.5° | 117.0° |
| O3' | C3 | H3 | 113.6° | 109.3° |
| C4 | C5 | C6 | 121.9° | 119.7° |
| C5 | C4 | H4 | 119.5° | 119.8° |
| C4 | C5 | H5 | 119.1° | 120.0° |
| C6 | C5 | H5 | 119.1° | 120.2° |
| C5 | C6 | H6 | 121.3° | 120.2° |
| O1' | C1' | C2' | 120.2° | 120.0° |
| O1' | C1' | O2' | 123.4° | 120.0° |
| C1' | O1' | HO1' | 109.5° | 117.0° |
| C2' | C1' | O2' | 115.1° | 120.0° |
| C1' | C2' | C3' | 116.6° | 120.0° |
| C1' | C2' | O3' | 121.9° | 120.0° |
| C3' | C2' | O3' | 121.5° | 120.0° |
| C2' | C3' | H3' | 120.0° | 120.0° |
| C2' | C3' | H3'A | 120.0° | 120.0° |
| H3' | C3' | H3'A | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | C | O1 | O2 | 178.7° | 179.7° |
| C | C1 | C2 | C6 | 175.7° | 179.7° |
| C | C1 | C2 | C3 | 159.5° | 145.1° |
| C | C1 | C2 | O3 | 58.4° | 94.7° |
| C | C1 | C6 | C5 | 178.9° | 179.9° |
| C | C1 | C2 | H2 | 56.1° | 25.0° |
| C | C1 | C6 | H6 | 1.1° | 0.2° |
| C1 | C | O2 | HO2 | 178.8° | 180.0° |
| O1 | C | C1 | C2 | 176.9° | 180.0° |
| O1 | C | C1 | C6 | 7.4° | 0.3° |
| O1 | C | O2 | HO2 | 0.0° | 0.3° |
| O2 | C | C1 | C2 | 1.9° | 0.3° |
| O2 | C | C1 | C6 | 173.8° | 179.4° |
| C1 | C2 | C3 | O3 | 138.0° | 120.2° |
| C1 | C2 | C3 | H2 | 112.5° | 120.1° |
| C1 | C2 | O3 | H2 | 116.4° | 119.8° |
| C1 | C2 | C3 | C4 | 35.2° | 50.0° |
| C1 | C2 | C3 | O3' | 84.6° | 70.2° |
| C2 | C1 | C6 | C5 | 2.9° | 0.4° |
| C1 | C2 | C3 | H3 | 153.6° | 170.1° |
| C1 | C2 | O3 | HO3 | 180.0° | 60.0° |
| C2 | C1 | C6 | H6 | 177.1° | 179.9° |
| C6 | C1 | C2 | C3 | 24.7° | 34.6° |
| C6 | C1 | C2 | O3 | 117.4° | 85.6° |
| C1 | C6 | C5 | C4 | 6.2° | 19.9° |
| C1 | C6 | C5 | H6 | 180.0° | 179.7° |
| C6 | C1 | C2 | H2 | 128.1° | 154.7° |
| C1 | C6 | C5 | H5 | 173.8° | 160.5° |
| C3 | C2 | O3 | H2 | 102.4° | 119.8° |
| C2 | C3 | C4 | O3' | 122.9° | 120.2° |
| C2 | C3 | C4 | H3 | 114.9° | 120.2° |
| C2 | C3 | O3' | H3 | 115.2° | 119.7° |
| C2 | C3 | C4 | C5 | 26.4° | 35.1° |
| C2 | C3 | O3' | C2' | 176.7° | 156.0° |
| C3 | C2 | O3 | HO3 | 38.8° | 179.6° |
| C2 | C3 | C4 | H4 | 153.5° | 144.9° |
| O3 | C2 | C3 | C4 | 102.8° | 70.2° |
| O3 | C2 | C3 | O3' | 137.5° | 169.6° |
| O3 | C2 | C3 | H3 | 15.7° | 50.0° |
| C4 | C3 | O3' | H3 | 119.0° | 119.7° |
| C3 | C4 | C5 | H4 | 180.0° | 180.0° |
| C3 | C4 | C5 | C6 | 4.8° | 0.1° |
| C4 | C3 | O3' | C2' | 57.5° | 83.3° |
| C4 | C3 | C2 | H2 | 147.7° | 170.1° |
| C3 | C4 | C5 | H5 | 175.2° | 179.8° |
| O3' | C3 | C4 | C5 | 96.5° | 85.1° |
| C3 | O3' | C2' | C1' | 38.6° | 174.5° |
| C3 | O3' | C2' | C3' | 142.5° | 5.4° |
| O3' | C3 | C2 | H2 | 28.0° | 49.9° |
| O3' | C3 | C4 | H4 | 83.5° | 94.9° |
| C4 | C5 | C6 | H5 | 180.0° | 179.7° |
| C5 | C4 | C3 | H3 | 141.4° | 155.3° |
| C4 | C5 | C6 | H6 | 173.8° | 160.5° |
| C6 | C5 | C4 | H4 | 175.2° | 179.9° |
| O1' | C1' | C2' | O2' | 167.3° | 180.0° |
| O1' | C1' | C2' | C3' | 43.4° | 0.1° |
| O1' | C1' | C2' | O3' | 137.6° | 180.0° |
| C1' | C2' | C3' | O3' | 179.0° | 179.9° |
| C1' | C2' | C3' | H3' | 179.0° | 174.2° |
| C1' | C2' | C3' | H3'A | 1.1° | 5.7° |
| C2' | C1' | O1' | HO1' | 166.2° | 180.0° |
| O2' | C1' | C2' | C3' | 149.3° | 180.0° |
| O2' | C1' | C2' | O3' | 29.7° | 0.1° |
| O2' | C1' | O1' | HO1' | 0.0° | 0.1° |
| C2' | C3' | H3' | H3'A | 179.9° | 179.9° |
| C2' | O3' | C3 | H3 | 61.5° | 36.3° |
| O3' | C2' | C3' | H3' | 0.0° | 5.9° |
| O3' | C2' | C3' | H3'A | 180.0° | 174.3° |
| H2 | C2 | C3 | H3 | 93.8° | 69.8° |
| H2 | C2 | O3 | HO3 | 63.6° | 59.8° |
| H3 | C3 | C4 | H4 | 38.6° | 24.7° |
| H4 | C4 | C5 | H5 | 4.8° | 0.2° |
| H5 | C5 | C6 | H6 | 6.2° | 19.2° |
