SSN
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O1 | C1 | doub | 1.21Å | 1.27Å | |
| C1 | C2 | sing | 1.51Å | 1.53Å | |
| C1 | O2 | sing | 1.34Å | 1.25Å | |
| C3 | C2 | sing | 1.53Å | 1.54Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C2 | H2A | sing | 1.09Å | 1.10Å | |
| O2 | HO2 | sing | 0.97Å | 0.95Å | |
| C3 | C4 | sing | 1.51Å | 1.53Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H3A | sing | 1.09Å | 1.10Å | |
| O4 | C4 | doub | 1.21Å | 1.27Å | |
| C4 | H4 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C1 | C2 | 124.0° | 120.0° |
| O1 | C1 | O2 | 117.3° | 120.0° |
| C2 | C1 | O2 | 118.7° | 120.0° |
| C1 | C2 | C3 | 114.5° | 109.5° |
| C1 | C2 | H2 | 107.8° | 109.5° |
| C1 | C2 | H2A | 107.8° | 109.5° |
| C1 | O2 | HO2 | 109.5° | 117.0° |
| C3 | C2 | H2 | 107.8° | 109.4° |
| C3 | C2 | H2A | 107.8° | 109.5° |
| C2 | C3 | C4 | 111.5° | 109.4° |
| C2 | C3 | H3 | 108.8° | 109.5° |
| C2 | C3 | H3A | 108.8° | 109.5° |
| H2 | C2 | H2A | 111.1° | 109.5° |
| C4 | C3 | H3 | 108.8° | 109.5° |
| C4 | C3 | H3A | 108.8° | 109.4° |
| C3 | C4 | O4 | 124.2° | 120.0° |
| C3 | C4 | H4 | 117.9° | 120.0° |
| H3 | C3 | H3A | 110.1° | 109.5° |
| O4 | C4 | H4 | 117.9° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C1 | C2 | O2 | 176.7° | 179.8° |
| O1 | C1 | C2 | C3 | 21.0° | 0.2° |
| O1 | C1 | C2 | H2 | 141.0° | 119.7° |
| O1 | C1 | C2 | H2A | 99.0° | 120.2° |
| O1 | C1 | O2 | HO2 | 0.0° | 0.2° |
| C1 | C2 | C3 | H2 | 120.0° | 120.0° |
| C1 | C2 | C3 | H2A | 120.0° | 120.0° |
| C1 | C2 | H2 | H2A | 117.9° | 120.1° |
| C2 | C1 | O2 | HO2 | 177.0° | 180.0° |
| C1 | C2 | C3 | C4 | 169.4° | 180.0° |
| C1 | C2 | C3 | H3 | 70.6° | 60.0° |
| C1 | C2 | C3 | H3A | 49.4° | 60.0° |
| O2 | C1 | C2 | C3 | 162.3° | 180.0° |
| O2 | C1 | C2 | H2 | 42.3° | 60.1° |
| O2 | C1 | C2 | H2A | 77.7° | 60.0° |
| C3 | C2 | H2 | H2A | 117.9° | 120.0° |
| C2 | C3 | C4 | H3 | 120.0° | 120.0° |
| C2 | C3 | C4 | H3A | 120.0° | 120.0° |
| C2 | C3 | H3 | H3A | 119.2° | 120.1° |
| C2 | C3 | C4 | O4 | 178.8° | 125.0° |
| C2 | C3 | C4 | H4 | 1.2° | 55.0° |
| H2 | C2 | C3 | C4 | 49.4° | 60.0° |
| H2 | C2 | C3 | H3 | 169.4° | 180.0° |
| H2 | C2 | C3 | H3A | 70.6° | 60.0° |
| H2A | C2 | C3 | C4 | 70.6° | 60.0° |
| H2A | C2 | C3 | H3 | 49.4° | 60.0° |
| H2A | C2 | C3 | H3A | 169.4° | 179.9° |
| C4 | C3 | H3 | H3A | 119.2° | 119.9° |
| C3 | C4 | O4 | H4 | 180.0° | 180.0° |
| H3 | C3 | C4 | O4 | 58.8° | 5.0° |
| H3 | C3 | C4 | H4 | 121.2° | 175.1° |
| H3A | C3 | C4 | O4 | 61.2° | 115.0° |
| H3A | C3 | C4 | H4 | 118.7° | 65.0° |
