21H
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O7 | C6 | sing | 1.43Å | 1.43Å | |
| C6 | O1 | sing | 1.43Å | 1.44Å | |
| O1 | C1 | sing | 1.43Å | 1.42Å | |
| C1 | O2 | sing | 1.43Å | 1.42Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| O2 | H3 | sing | 0.97Å | 0.95Å | |
| C6 | H4 | sing | 1.09Å | 1.10Å | |
| C6 | H5 | sing | 1.09Å | 1.10Å | |
| O7 | H6 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O7 | C6 | O1 | 113.1° | 109.4° |
| O7 | C6 | H4 | 108.6° | 109.4° |
| O7 | C6 | H5 | 108.6° | 109.5° |
| C6 | O7 | H6 | 109.5° | 114.0° |
| C6 | O1 | C1 | 109.3° | 114.0° |
| O1 | C6 | H4 | 108.6° | 109.4° |
| O1 | C6 | H5 | 108.5° | 109.5° |
| O1 | C1 | O2 | 115.6° | 109.4° |
| O1 | C1 | H1 | 107.9° | 109.4° |
| O1 | C1 | H2 | 107.9° | 109.5° |
| O2 | C1 | H1 | 107.9° | 109.4° |
| O2 | C1 | H2 | 107.9° | 109.5° |
| C1 | O2 | H3 | 109.5° | 114.0° |
| H1 | C1 | H2 | 109.5° | 109.5° |
| H4 | C6 | H5 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O7 | C6 | O1 | H4 | 120.5° | 119.9° |
| O7 | C6 | O1 | H5 | 120.5° | 120.0° |
| O7 | C6 | O1 | C1 | 155.8° | 75.0° |
| O7 | C6 | H4 | H5 | 118.4° | 120.0° |
| C6 | O1 | C1 | O2 | 156.0° | 75.0° |
| C6 | O1 | C1 | H1 | 83.2° | 165.1° |
| C6 | O1 | C1 | H2 | 35.1° | 45.0° |
| O1 | C6 | H4 | H5 | 118.3° | 120.0° |
| O1 | C6 | O7 | H6 | 180.0° | 180.0° |
| O1 | C1 | O2 | H1 | 120.9° | 119.9° |
| O1 | C1 | O2 | H2 | 120.9° | 120.0° |
| O1 | C1 | H1 | H2 | 117.2° | 120.0° |
| O1 | C1 | O2 | H3 | 180.0° | 180.0° |
| C1 | O1 | C6 | H4 | 35.3° | 165.1° |
| C1 | O1 | C6 | H5 | 83.6° | 45.0° |
| O2 | C1 | H1 | H2 | 117.2° | 120.0° |
| H1 | C1 | O2 | H3 | 59.1° | 60.1° |
| H2 | C1 | O2 | H3 | 59.1° | 60.0° |
| H4 | C6 | O7 | H6 | 59.4° | 60.1° |
| H5 | C6 | O7 | H6 | 59.5° | 60.0° |
