OIW
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O9 | C3 | sing | 1.43Å | 1.40Å | |
| O7 | C4 | sing | 1.43Å | 1.42Å | |
| C3 | C4 | sing | 1.53Å | 1.53Å | |
| C3 | C2 | sing | 1.53Å | 1.54Å | |
| C4 | C5 | sing | 1.53Å | 1.54Å | |
| C5 | O8 | sing | 1.43Å | 1.42Å | |
| C5 | C6 | sing | 1.50Å | 1.51Å | |
| C2 | C1 | sing | 1.50Å | 1.53Å | |
| C6 | C1 | doub | 1.29Å | 1.33Å | |
| C2 | O1 | sing | 1.43Å | 1.39Å | |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C2 | H21 | sing | 1.09Å | 1.10Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| O7 | HO7 | sing | 0.97Å | 0.95Å | |
| O8 | HO8 | sing | 0.97Å | 0.95Å | |
| O9 | HO9 | sing | 0.97Å | 0.95Å | |
| O1 | H7 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O9 | C3 | C4 | 111.4° | 109.7° |
| O9 | C3 | C2 | 110.6° | 109.6° |
| O9 | C3 | H3 | 110.9° | 109.8° |
| C3 | O9 | HO9 | 109.5° | 114.0° |
| O7 | C4 | C3 | 113.3° | 109.7° |
| O7 | C4 | C5 | 108.4° | 109.6° |
| O7 | C4 | H4 | 109.8° | 109.8° |
| C4 | O7 | HO7 | 109.5° | 114.0° |
| C4 | C3 | C2 | 105.9° | 108.5° |
| C3 | C4 | C5 | 108.4° | 108.4° |
| C4 | C3 | H3 | 109.0° | 109.7° |
| C3 | C4 | H4 | 108.4° | 109.6° |
| C3 | C2 | C1 | 106.9° | 110.1° |
| C3 | C2 | O1 | 125.5° | 109.4° |
| C3 | C2 | H21 | 102.7° | 109.3° |
| C2 | C3 | H3 | 109.0° | 109.7° |
| C4 | C5 | O8 | 110.4° | 109.3° |
| C4 | C5 | C6 | 113.7° | 110.2° |
| C5 | C4 | H4 | 108.3° | 109.7° |
| C4 | C5 | H5 | 107.3° | 109.4° |
| O8 | C5 | C6 | 108.7° | 109.5° |
| O8 | C5 | H5 | 108.9° | 109.4° |
| C5 | O8 | HO8 | 109.5° | 114.0° |
| C5 | C6 | C1 | 121.9° | 124.1° |
| C6 | C5 | H5 | 107.6° | 109.0° |
| C5 | C6 | H6 | 119.1° | 117.9° |
| C2 | C1 | C6 | 122.6° | 124.1° |
| C1 | C2 | O1 | 112.0° | 109.4° |
| C2 | C1 | H1 | 118.7° | 118.0° |
| C1 | C2 | H21 | 102.8° | 109.3° |
| C6 | C1 | H1 | 118.7° | 118.0° |
| C1 | C6 | H6 | 119.1° | 118.0° |
| O1 | C2 | H21 | 104.1° | 109.4° |
| C2 | O1 | H7 | 109.5° | 114.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O9 | C3 | C4 | O7 | 50.4° | 53.2° |
| O9 | C3 | C4 | C2 | 120.2° | 119.7° |
| O9 | C3 | C4 | H3 | 122.7° | 120.6° |
| O9 | C3 | C2 | H3 | 122.2° | 120.5° |
| O9 | C3 | C4 | C5 | 170.9° | 172.9° |
| O9 | C3 | C2 | C1 | 176.2° | 169.2° |
| O9 | C3 | C2 | O1 | 49.5° | 49.0° |
| O9 | C3 | C2 | H21 | 68.4° | 70.7° |
| O9 | C3 | C4 | H4 | 71.8° | 67.5° |
| O7 | C4 | C3 | C5 | 120.5° | 119.7° |
| O7 | C4 | C3 | H4 | 122.2° | 120.7° |
| O7 | C4 | C3 | C2 | 170.6° | 172.9° |
| O7 | C4 | C5 | H4 | 119.1° | 120.7° |
| O7 | C4 | C5 | O8 | 72.5° | 70.7° |
| O7 | C4 | C5 | C6 | 165.0° | 168.9° |
| O7 | C4 | C3 | H3 | 72.3° | 67.4° |
| O7 | C4 | C5 | H5 | 46.0° | 49.1° |
| C4 | C3 | C2 | H3 | 117.1° | 119.7° |
| C3 | C4 | C5 | H4 | 117.4° | 119.6° |
| C3 | C4 | C5 | O8 | 164.0° | 169.6° |
| C3 | C4 | C5 | C6 | 41.5° | 49.2° |
| C4 | C3 | C2 | C1 | 63.1° | 49.4° |
| C4 | C3 | C2 | O1 | 71.3° | 70.7° |
| C4 | C3 | C2 | H21 | 170.9° | 169.6° |
| C3 | C4 | C5 | H5 | 77.5° | 70.6° |
| C3 | C4 | O7 | HO7 | 180.0° | 180.0° |
| C4 | C3 | O9 | HO9 | 180.0° | 180.0° |
| C2 | C3 | C4 | C5 | 68.9° | 67.5° |
| C3 | C2 | C1 | O1 | 141.1° | 120.2° |
| C3 | C2 | C1 | H21 | 107.8° | 120.1° |
| C3 | C2 | C1 | C6 | 33.8° | 16.9° |
| C3 | C2 | O1 | H21 | 117.2° | 119.6° |
| C3 | C2 | C1 | H1 | 146.1° | 162.9° |
| C2 | C3 | C4 | H4 | 48.5° | 52.2° |
| C2 | C3 | O9 | HO9 | 62.6° | 61.0° |
| C3 | C2 | O1 | H7 | 180.0° | 179.4° |
| C4 | C5 | O8 | C6 | 125.4° | 120.8° |
| C4 | C5 | O8 | H5 | 117.6° | 119.8° |
| C4 | C5 | C6 | H5 | 118.7° | 120.0° |
| C4 | C5 | C6 | C1 | 10.7° | 16.7° |
| C5 | C4 | C3 | H3 | 48.2° | 52.3° |
| C4 | C5 | C6 | H6 | 169.3° | 162.8° |
| C5 | C4 | O7 | HO7 | 59.5° | 61.1° |
| C4 | C5 | O8 | HO8 | 180.0° | 180.0° |
| O8 | C5 | C6 | H5 | 117.8° | 119.7° |
| O8 | C5 | C6 | C1 | 134.2° | 137.0° |
| O8 | C5 | C4 | H4 | 46.6° | 50.0° |
| O8 | C5 | C6 | H6 | 45.8° | 42.5° |
| C5 | C6 | C1 | C2 | 7.2° | 0.0° |
| C5 | C6 | C1 | H6 | 180.0° | 179.5° |
| C5 | C6 | C1 | H1 | 172.8° | 179.8° |
| C6 | C5 | C4 | H4 | 75.9° | 70.4° |
| C6 | C5 | O8 | HO8 | 54.6° | 59.2° |
| C2 | C1 | C6 | H1 | 180.0° | 179.8° |
| C1 | C2 | O1 | H21 | 110.3° | 119.7° |
| C1 | C2 | C3 | H3 | 54.0° | 70.3° |
| C2 | C1 | C6 | H6 | 172.8° | 179.6° |
| C1 | C2 | O1 | H7 | 47.5° | 60.0° |
| C6 | C1 | C2 | O1 | 107.2° | 103.3° |
| C6 | C1 | C2 | H21 | 141.6° | 136.9° |
| C1 | C6 | C5 | H5 | 108.0° | 103.3° |
| O1 | C2 | C1 | H1 | 72.8° | 76.9° |
| O1 | C2 | C3 | H3 | 171.6° | 169.5° |
| H1 | C1 | C2 | H21 | 38.4° | 42.9° |
| H1 | C1 | C6 | H6 | 7.2° | 0.7° |
| H21 | C2 | C3 | H3 | 53.8° | 49.8° |
| H21 | C2 | O1 | H7 | 62.8° | 59.7° |
| H3 | C3 | C4 | H4 | 165.5° | 171.9° |
| H3 | C3 | O9 | HO9 | 58.4° | 59.5° |
| H4 | C4 | C5 | H5 | 165.2° | 169.7° |
| H4 | C4 | O7 | HO7 | 58.6° | 59.5° |
| H5 | C5 | C6 | H6 | 72.0° | 77.1° |
| H5 | C5 | O8 | HO8 | 62.4° | 60.2° |
