SIN
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | O1 | doub | 1.21Å | 1.21Å | |
| C1 | O2 | sing | 1.34Å | 1.22Å | |
| C1 | C2 | sing | 1.51Å | 1.54Å | |
| O2 | HO2 | sing | 0.97Å | 0.95Å | |
| C2 | C3 | sing | 1.53Å | 1.54Å | |
| C2 | H21 | sing | 1.09Å | 1.10Å | |
| C2 | H22 | sing | 1.09Å | 1.10Å | |
| C3 | C4 | sing | 1.51Å | 1.54Å | |
| C3 | H31 | sing | 1.09Å | 1.10Å | |
| C3 | H32 | sing | 1.09Å | 1.10Å | |
| C4 | O3 | doub | 1.21Å | 1.23Å | |
| C4 | O4 | sing | 1.34Å | 1.22Å | |
| O4 | HO4 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C1 | O2 | 120.1° | 120.0° |
| O1 | C1 | C2 | 119.6° | 120.0° |
| O2 | C1 | C2 | 120.4° | 120.0° |
| C1 | O2 | HO2 | 109.5° | 117.0° |
| C1 | C2 | C3 | 110.3° | 109.5° |
| C1 | C2 | H21 | 109.2° | 109.5° |
| C1 | C2 | H22 | 109.2° | 109.4° |
| C3 | C2 | H21 | 109.2° | 109.5° |
| C3 | C2 | H22 | 109.2° | 109.5° |
| C2 | C3 | C4 | 109.2° | 109.5° |
| C2 | C3 | H31 | 109.6° | 109.5° |
| C2 | C3 | H32 | 109.6° | 109.5° |
| H21 | C2 | H22 | 109.8° | 109.5° |
| C4 | C3 | H31 | 109.5° | 109.5° |
| C4 | C3 | H32 | 109.6° | 109.4° |
| C3 | C4 | O3 | 120.1° | 120.0° |
| C3 | C4 | O4 | 119.8° | 120.0° |
| H31 | C3 | H32 | 109.4° | 109.5° |
| O3 | C4 | O4 | 120.1° | 120.0° |
| C4 | O4 | HO4 | 109.5° | 117.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C1 | O2 | C2 | 179.4° | 179.7° |
| O1 | C1 | O2 | HO2 | 0.0° | 0.0° |
| O1 | C1 | C2 | C3 | 141.4° | 0.0° |
| O1 | C1 | C2 | H21 | 98.7° | 120.0° |
| O1 | C1 | C2 | H22 | 21.3° | 120.0° |
| O2 | C1 | C2 | C3 | 39.3° | 179.7° |
| O2 | C1 | C2 | H21 | 80.7° | 60.3° |
| O2 | C1 | C2 | H22 | 159.3° | 59.7° |
| C2 | C1 | O2 | HO2 | 179.3° | 179.7° |
| C1 | C2 | C3 | H21 | 120.0° | 120.0° |
| C1 | C2 | C3 | H22 | 120.0° | 119.9° |
| C1 | C2 | H21 | H22 | 119.7° | 120.0° |
| C1 | C2 | C3 | C4 | 177.9° | 180.0° |
| C1 | C2 | C3 | H31 | 62.1° | 60.0° |
| C1 | C2 | C3 | H32 | 57.9° | 60.1° |
| C3 | C2 | H21 | H22 | 119.7° | 120.1° |
| C2 | C3 | C4 | H31 | 120.0° | 120.0° |
| C2 | C3 | C4 | H32 | 120.0° | 120.0° |
| C2 | C3 | H31 | H32 | 120.1° | 120.1° |
| C2 | C3 | C4 | O3 | 165.0° | 0.0° |
| C2 | C3 | C4 | O4 | 15.0° | 180.0° |
| H21 | C2 | C3 | C4 | 57.9° | 60.0° |
| H21 | C2 | C3 | H31 | 177.9° | NaN° |
| H21 | C2 | C3 | H32 | 62.1° | 59.9° |
| H22 | C2 | C3 | C4 | 62.1° | 60.1° |
| H22 | C2 | C3 | H31 | 57.9° | 59.9° |
| H22 | C2 | C3 | H32 | 177.9° | 180.0° |
| C4 | C3 | H31 | H32 | 120.1° | 120.0° |
| C3 | C4 | O3 | O4 | 180.0° | 180.0° |
| C3 | C4 | O4 | HO4 | 180.0° | 180.0° |
| H31 | C3 | C4 | O3 | 75.0° | 120.0° |
| H31 | C3 | C4 | O4 | 105.0° | 60.0° |
| H32 | C3 | C4 | O3 | 45.0° | 120.0° |
| H32 | C3 | C4 | O4 | 135.0° | 60.0° |
| O3 | C4 | O4 | HO4 | 0.0° | 0.0° |
