74I
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O2 | C1 | doub | 1.22Å | 1.25Å | |
| O6 | C4 | sing | 1.36Å | 1.35Å | |
| C1 | C4 | sing | 1.46Å | 1.53Å | |
| C1 | O3 | sing | 1.35Å | 1.25Å | |
| C4 | C5 | doub | 1.35Å | 1.53Å | |
| C5 | O7 | sing | 1.35Å | 1.37Å | |
| C5 | H1 | sing | 1.08Å | 1.08Å | |
| O3 | H2 | sing | 0.97Å | 0.95Å | |
| O6 | H3 | sing | 0.97Å | 0.95Å | |
| O7 | H4 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O2 | C1 | C4 | 118.5° | 120.0° |
| O2 | C1 | O3 | 120.1° | 120.0° |
| O6 | C4 | C1 | 118.5° | 120.0° |
| O6 | C4 | C5 | 118.5° | 120.0° |
| C4 | O6 | H3 | 109.5° | 114.0° |
| C4 | C1 | O3 | 121.4° | 120.0° |
| C1 | C4 | C5 | 122.9° | 120.0° |
| C1 | O3 | H2 | 109.5° | 114.0° |
| C4 | C5 | O7 | 116.1° | 120.0° |
| C4 | C5 | H1 | 122.0° | 119.9° |
| O7 | C5 | H1 | 122.0° | 120.0° |
| C5 | O7 | H4 | 109.5° | 114.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O2 | C1 | C4 | O6 | 0.9° | 179.7° |
| O2 | C1 | C4 | O3 | 179.6° | 180.0° |
| O2 | C1 | C4 | C5 | 179.9° | 0.0° |
| O2 | C1 | O3 | H2 | 0.0° | 0.0° |
| O6 | C4 | C1 | C5 | 179.0° | 179.8° |
| O6 | C4 | C1 | O3 | 179.5° | 0.3° |
| O6 | C4 | C5 | O7 | 1.2° | 0.2° |
| O6 | C4 | C5 | H1 | 178.9° | 179.7° |
| C1 | C4 | C5 | O7 | 179.9° | 180.0° |
| C1 | C4 | C5 | H1 | 0.1° | 0.0° |
| C4 | C1 | O3 | H2 | 179.6° | 180.0° |
| C1 | C4 | O6 | H3 | 0.4° | 0.2° |
| O3 | C1 | C4 | C5 | 0.5° | 180.0° |
| C4 | C5 | O7 | H1 | 180.0° | 180.0° |
| C5 | C4 | O6 | H3 | 179.4° | 180.0° |
| C4 | C5 | O7 | H4 | 180.0° | 180.0° |
| H1 | C5 | O7 | H4 | 0.0° | 0.0° |
