23B
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O2 | C1 | doub | 1.21Å | 1.25Å | |
| C1 | O1 | sing | 1.34Å | 1.26Å | |
| C1 | C2 | sing | 1.51Å | 1.49Å | |
| O1 | HO1 | sing | 0.97Å | 0.95Å | |
| C5 | C2 | sing | 1.53Å | 1.54Å | |
| C2 | C3 | sing | 1.53Å | 1.54Å | |
| C2 | O3 | sing | 1.43Å | 1.45Å | |
| C3 | C4 | sing | 1.53Å | 1.51Å | |
| C3 | O4 | sing | 1.43Å | 1.45Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| O3 | HO3 | sing | 0.97Å | 0.95Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C4 | H4A | sing | 1.09Å | 1.10Å | |
| C4 | H4B | sing | 1.09Å | 1.10Å | |
| O4 | HO4 | sing | 0.97Å | 0.95Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C5 | H5A | sing | 1.09Å | 1.10Å | |
| C5 | H5B | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O2 | C1 | O1 | 124.4° | 120.0° |
| O2 | C1 | C2 | 116.0° | 120.0° |
| O1 | C1 | C2 | 119.5° | 120.0° |
| C1 | O1 | HO1 | 109.5° | 117.0° |
| C1 | C2 | C5 | 109.7° | 109.5° |
| C1 | C2 | C3 | 109.2° | 109.4° |
| C1 | C2 | O3 | 106.9° | 109.5° |
| C5 | C2 | C3 | 111.6° | 109.5° |
| C5 | C2 | O3 | 109.4° | 109.5° |
| C2 | C5 | H5 | 109.5° | 109.5° |
| C2 | C5 | H5A | 109.5° | 109.5° |
| C2 | C5 | H5B | 109.5° | 109.5° |
| C3 | C2 | O3 | 110.0° | 109.5° |
| C2 | C3 | C4 | 113.6° | 109.4° |
| C2 | C3 | O4 | 109.3° | 109.4° |
| C2 | C3 | H3 | 107.8° | 109.5° |
| C2 | O3 | HO3 | 109.5° | 114.0° |
| C4 | C3 | O4 | 108.9° | 109.5° |
| C4 | C3 | H3 | 108.2° | 109.5° |
| C3 | C4 | H4 | 109.5° | 109.5° |
| C3 | C4 | H4A | 109.5° | 109.5° |
| C3 | C4 | H4B | 109.5° | 109.5° |
| O4 | C3 | H3 | 109.0° | 109.5° |
| C3 | O4 | HO4 | 109.5° | 114.0° |
| H4 | C4 | H4A | 109.5° | 109.4° |
| H4 | C4 | H4B | 109.4° | 109.5° |
| H4A | C4 | H4B | 109.5° | 109.5° |
| H5 | C5 | H5A | 109.4° | 109.5° |
| H5 | C5 | H5B | 109.5° | 109.4° |
| H5A | C5 | H5B | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O2 | C1 | O1 | C2 | 179.5° | 179.7° |
| O2 | C1 | O1 | HO1 | 0.0° | 0.3° |
| O2 | C1 | C2 | C5 | 68.4° | 95.3° |
| O2 | C1 | C2 | C3 | 54.2° | 24.7° |
| O2 | C1 | C2 | O3 | 173.1° | 144.7° |
| O1 | C1 | C2 | C5 | 111.2° | 85.0° |
| O1 | C1 | C2 | C3 | 126.2° | 155.0° |
| O1 | C1 | C2 | O3 | 7.3° | 35.0° |
| C2 | C1 | O1 | HO1 | 179.5° | 180.0° |
| C1 | C2 | C5 | C3 | 121.2° | 119.9° |
| C1 | C2 | C5 | O3 | 116.9° | 120.0° |
| C1 | C2 | C3 | O3 | 117.0° | 120.0° |
| C1 | C2 | C3 | C4 | 173.8° | 180.0° |
| C1 | C2 | C3 | O4 | 64.3° | 60.0° |
| C1 | C2 | C3 | H3 | 54.0° | 60.0° |
| C1 | C2 | O3 | HO3 | 180.0° | 60.0° |
| C1 | C2 | C5 | H5 | 180.0° | 60.0° |
| C1 | C2 | C5 | H5A | 60.0° | 180.0° |
| C1 | C2 | C5 | H5B | 60.0° | 60.0° |
| C5 | C2 | C3 | O3 | 121.6° | 120.0° |
| C5 | C2 | C3 | C4 | 52.4° | 60.0° |
| C5 | C2 | C3 | O4 | 174.2° | 180.0° |
| C5 | C2 | C3 | H3 | 67.4° | 60.0° |
| C5 | C2 | O3 | HO3 | 61.3° | 180.0° |
| C2 | C5 | H5 | H5A | 120.0° | 120.0° |
| C2 | C5 | H5 | H5B | 120.0° | 120.0° |
| C2 | C5 | H5A | H5B | 120.0° | 120.0° |
| C2 | C3 | C4 | O4 | 122.0° | 119.9° |
| C2 | C3 | C4 | H3 | 119.6° | 120.0° |
| C2 | C3 | O4 | H3 | 117.5° | 120.0° |
| C3 | C2 | O3 | HO3 | 61.6° | 60.0° |
| C2 | C3 | C4 | H4 | 180.0° | 60.0° |
| C2 | C3 | C4 | H4A | 60.0° | 180.0° |
| C2 | C3 | C4 | H4B | 60.0° | 60.0° |
| C2 | C3 | O4 | HO4 | 180.0° | 60.0° |
| C3 | C2 | C5 | H5 | 58.8° | 180.0° |
| C3 | C2 | C5 | H5A | 61.2° | 60.0° |
| C3 | C2 | C5 | H5B | 178.8° | 60.0° |
| O3 | C2 | C3 | C4 | 69.2° | 60.0° |
| O3 | C2 | C3 | O4 | 52.7° | 60.0° |
| O3 | C2 | C3 | H3 | 171.0° | 180.0° |
| O3 | C2 | C5 | H5 | 63.1° | 60.0° |
| O3 | C2 | C5 | H5A | 176.9° | 60.0° |
| O3 | C2 | C5 | H5B | 56.9° | 180.0° |
| C4 | C3 | O4 | H3 | 117.9° | 120.1° |
| C3 | C4 | H4 | H4A | 120.0° | 120.0° |
| C3 | C4 | H4 | H4B | 120.0° | 120.0° |
| C3 | C4 | H4A | H4B | 120.0° | 120.0° |
| C4 | C3 | O4 | HO4 | 55.4° | 60.0° |
| O4 | C3 | C4 | H4 | 58.0° | 60.0° |
| O4 | C3 | C4 | H4A | 178.0° | 60.0° |
| O4 | C3 | C4 | H4B | 62.0° | 180.0° |
| H3 | C3 | C4 | H4 | 60.4° | NaN° |
| H3 | C3 | C4 | H4A | 59.6° | 60.0° |
| H3 | C3 | C4 | H4B | 179.6° | 60.0° |
| H3 | C3 | O4 | HO4 | 62.5° | 180.0° |
| H4 | C4 | H4A | H4B | 120.0° | 120.0° |
| H5 | C5 | H5A | H5B | 120.0° | 120.0° |






