Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | O1A | doub | 1.21Å | 1.22Å | |
| C1 | O1B | sing | 1.34Å | 1.27Å | |
| C1 | C2 | sing | 1.51Å | 1.52Å | |
| O1B | HO11 | sing | 0.97Å | 0.95Å | |
| C2 | O2 | sing | 1.43Å | 1.52Å | |
| C2 | C3 | sing | 1.53Å | 1.53Å | |
| C2 | H21 | sing | 1.09Å | 1.10Å | |
| O2 | HO21 | sing | 0.97Å | 0.95Å | |
| C3 | C4 | sing | 1.51Å | 1.51Å | |
| C3 | H31 | sing | 1.09Å | 1.10Å | |
| C3 | H32 | sing | 1.09Å | 1.10Å | |
| C4 | O4A | sing | 1.34Å | 1.27Å | |
| C4 | O4B | doub | 1.21Å | 1.26Å | |
| O4A | HO41 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1A | C1 | O1B | 122.3° | 120.0° |
| O1A | C1 | C2 | 120.9° | 120.1° |
| O1B | C1 | C2 | 116.7° | 120.0° |
| C1 | O1B | HO11 | 109.5° | 117.0° |
| C1 | C2 | O2 | 111.5° | 109.5° |
| C1 | C2 | C3 | 108.6° | 109.4° |
| C1 | C2 | H21 | 108.3° | 109.5° |
| O2 | C2 | C3 | 111.9° | 109.5° |
| O2 | C2 | H21 | 108.3° | 109.5° |
| C2 | O2 | HO21 | 109.5° | 114.0° |
| C3 | C2 | H21 | 108.1° | 109.5° |
| C2 | C3 | C4 | 118.5° | 109.5° |
| C2 | C3 | H31 | 107.2° | 109.5° |
| C2 | C3 | H32 | 107.2° | 109.5° |
| C4 | C3 | H31 | 107.2° | 109.5° |
| C4 | C3 | H32 | 107.2° | 109.4° |
| C3 | C4 | O4A | 117.4° | 120.0° |
| C3 | C4 | O4B | 121.1° | 120.0° |
| H31 | C3 | H32 | 109.5° | 109.5° |
| O4A | C4 | O4B | 121.5° | 120.0° |
| C4 | O4A | HO41 | 109.5° | 117.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1A | C1 | O1B | C2 | 179.8° | 179.8° |
| O1A | C1 | O1B | HO11 | 0.0° | 0.0° |
| O1A | C1 | C2 | O2 | 19.6° | 4.9° |
| O1A | C1 | C2 | C3 | 104.1° | 115.0° |
| O1A | C1 | C2 | H21 | 138.6° | 124.9° |
| O1B | C1 | C2 | O2 | 160.2° | 175.3° |
| O1B | C1 | C2 | C3 | 76.1° | 64.8° |
| O1B | C1 | C2 | H21 | 41.2° | 55.3° |
| C2 | C1 | O1B | HO11 | 179.8° | 179.8° |
| C1 | C2 | O2 | C3 | 121.9° | 120.0° |
| C1 | C2 | O2 | H21 | 119.0° | 120.0° |
| C1 | C2 | C3 | H21 | 117.3° | 120.1° |
| C1 | C2 | O2 | HO21 | 8.5° | 60.0° |
| C1 | C2 | C3 | C4 | 157.4° | 175.1° |
| C1 | C2 | C3 | H31 | 36.1° | 55.0° |
| C1 | C2 | C3 | H32 | 81.3° | 65.0° |
| O2 | C2 | C3 | H21 | 119.2° | 120.0° |
| O2 | C2 | C3 | C4 | 79.1° | 65.0° |
| O2 | C2 | C3 | H31 | 159.7° | 175.0° |
| O2 | C2 | C3 | H32 | 42.2° | 55.0° |
| C3 | C2 | O2 | HO21 | 113.4° | 60.0° |
| C2 | C3 | C4 | H31 | 121.3° | 120.0° |
| C2 | C3 | C4 | H32 | 121.3° | 120.0° |
| C2 | C3 | H31 | H32 | 115.9° | 120.0° |
| C2 | C3 | C4 | O4A | 84.8° | 180.0° |
| C2 | C3 | C4 | O4B | 94.6° | 0.0° |
| H21 | C2 | O2 | HO21 | 127.5° | 180.0° |
| H21 | C2 | C3 | C4 | 40.1° | 55.0° |
| H21 | C2 | C3 | H31 | 81.1° | 65.0° |
| H21 | C2 | C3 | H32 | 161.4° | 175.0° |
| C4 | C3 | H31 | H32 | 115.9° | 120.0° |
| C3 | C4 | O4A | O4B | 179.4° | 180.0° |
| C3 | C4 | O4A | HO41 | 179.3° | 180.0° |
| H31 | C3 | C4 | O4A | 36.5° | 59.9° |
| H31 | C3 | C4 | O4B | 144.2° | 120.0° |
| H32 | C3 | C4 | O4A | 153.9° | 60.0° |
| H32 | C3 | C4 | O4B | 26.7° | 120.0° |
| O4B | C4 | O4A | HO41 | 0.0° | 0.0° |
