Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C4 | C3 | sing | 1.48Å | 1.54Å | |
| C4 | O4A | sing | 1.22Å | 1.27Å | |
| C4 | O4B | doub | 1.22Å | 1.25Å | |
| C3 | C2 | doub | 1.34Å | 1.40Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C2 | C1 | sing | 1.48Å | 1.52Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C1 | O1A | sing | 1.22Å | 1.22Å | |
| C1 | O1B | doub | 1.22Å | 1.27Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C3 | C4 | O4A | 115.3° | 120.0° |
| C3 | C4 | O4B | 121.2° | 120.0° |
| C4 | C3 | C2 | 122.5° | 120.0° |
| C4 | C3 | H3 | 118.8° | 120.0° |
| O4A | C4 | O4B | 123.5° | 120.0° |
| C2 | C3 | H3 | 118.7° | 120.0° |
| C3 | C2 | C1 | 122.1° | 120.0° |
| C3 | C2 | H2 | 119.0° | 120.0° |
| C1 | C2 | H2 | 118.9° | 120.0° |
| C2 | C1 | O1A | 119.5° | 120.0° |
| C2 | C1 | O1B | 117.9° | 120.0° |
| O1A | C1 | O1B | 119.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C3 | C4 | O4A | O4B | 179.7° | 179.7° |
| C4 | C3 | C2 | H3 | 180.0° | 179.9° |
| C4 | C3 | C2 | C1 | 179.4° | 180.0° |
| C4 | C3 | C2 | H2 | 0.6° | 0.1° |
| O4A | C4 | C3 | C2 | 179.9° | 0.0° |
| O4A | C4 | C3 | H3 | 0.1° | 180.0° |
| O4B | C4 | C3 | C2 | 0.2° | 179.7° |
| O4B | C4 | C3 | H3 | 179.8° | 0.3° |
| C3 | C2 | C1 | H2 | 180.0° | 180.0° |
| C3 | C2 | C1 | O1A | 111.0° | 0.0° |
| C3 | C2 | C1 | O1B | 89.0° | 180.0° |
| H3 | C3 | C2 | C1 | 0.6° | 0.0° |
| H3 | C3 | C2 | H2 | 179.4° | 180.0° |
| C2 | C1 | O1A | O1B | 159.6° | 180.0° |
| H2 | C2 | C1 | O1A | 69.0° | 180.0° |
| H2 | C2 | C1 | O1B | 91.0° | 0.0° |
