SLP
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| SE | C2 | sing | 1.96Å | 1.98Å | |
| O1 | C7 | doub | 1.21Å | 1.23Å | |
| C2 | C6 | sing | 1.53Å | 1.51Å | |
| O2 | C7 | sing | 1.34Å | 1.32Å | |
| C6 | C7 | sing | 1.51Å | 1.55Å | |
| SE | HSE | sing | 1.56Å | 1.46Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C2 | H2A | sing | 1.09Å | 1.10Å | |
| O2 | HO2 | sing | 0.97Å | 0.95Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C6 | H6A | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| SE | C2 | C6 | 97.7° | 109.5° |
| C2 | SE | HSE | 109.5° | 101.0° |
| SE | C2 | H2 | 113.6° | 109.5° |
| SE | C2 | H2A | 113.6° | 109.5° |
| O1 | C7 | O2 | 120.2° | 120.0° |
| O1 | C7 | C6 | 121.0° | 120.0° |
| C2 | C6 | C7 | 111.2° | 109.5° |
| C6 | C2 | H2 | 113.6° | 109.5° |
| C6 | C2 | H2A | 113.6° | 109.5° |
| C2 | C6 | H6 | 108.9° | 109.5° |
| C2 | C6 | H6A | 108.9° | 109.5° |
| O2 | C7 | C6 | 118.8° | 120.1° |
| C7 | O2 | HO2 | 109.5° | 117.0° |
| C7 | C6 | H6 | 108.9° | 109.5° |
| C7 | C6 | H6A | 108.9° | 109.5° |
| H2 | C2 | H2A | 105.1° | 109.4° |
| H6 | C6 | H6A | 110.0° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| SE | C2 | C6 | H2 | 120.0° | 120.0° |
| SE | C2 | C6 | H2A | 120.0° | 120.0° |
| SE | C2 | C6 | C7 | 177.6° | 180.0° |
| SE | C2 | H2 | H2A | 124.8° | 120.0° |
| SE | C2 | C6 | H6 | 57.6° | 60.0° |
| SE | C2 | C6 | H6A | 62.4° | 60.0° |
| O1 | C7 | C6 | C2 | 19.8° | 0.0° |
| O1 | C7 | O2 | C6 | 178.5° | 180.0° |
| O1 | C7 | O2 | HO2 | 0.0° | 0.0° |
| O1 | C7 | C6 | H6 | 100.2° | 120.0° |
| O1 | C7 | C6 | H6A | 139.8° | 120.0° |
| C2 | C6 | C7 | O2 | 158.7° | 180.0° |
| C2 | C6 | C7 | H6 | 120.0° | 120.0° |
| C2 | C6 | C7 | H6A | 120.0° | 120.0° |
| C6 | C2 | SE | HSE | 180.0° | 180.0° |
| C6 | C2 | H2 | H2A | 124.7° | 120.0° |
| C2 | C6 | H6 | H6A | 119.3° | 120.0° |
| O2 | C7 | C6 | H6 | 81.3° | 60.0° |
| O2 | C7 | C6 | H6A | 38.7° | 60.0° |
| C7 | C6 | C2 | H2 | 62.5° | 60.0° |
| C7 | C6 | C2 | H2A | 57.6° | 60.0° |
| C6 | C7 | O2 | HO2 | 178.5° | 180.0° |
| C7 | C6 | H6 | H6A | 119.3° | 120.0° |
| HSE | SE | C2 | H2 | 60.0° | 60.0° |
| HSE | SE | C2 | H2A | 60.0° | 60.0° |
| H2 | C2 | C6 | H6 | 177.5° | NaN° |
| H2 | C2 | C6 | H6A | 57.5° | 60.0° |
| H2A | C2 | C6 | H6 | 62.5° | 60.0° |
| H2A | C2 | C6 | H6A | 177.5° | NaN° |
