SRT
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O1 | C1 | sing | 1.34Å | 1.32Å | |
| O1 | H1 | sing | 0.97Å | 0.95Å | |
| O11 | C1 | doub | 1.21Å | 1.22Å | |
| C1 | C2 | sing | 1.51Å | 1.51Å | |
| C2 | O2 | sing | 1.43Å | 1.42Å | |
| C2 | C3 | sing | 1.53Å | 1.52Å | |
| C2 | H2 | sing | 1.09Å | 1.12Å | |
| O2 | HA | sing | 0.97Å | 0.95Å | |
| C3 | O3 | sing | 1.43Å | 1.40Å | |
| C3 | C4 | sing | 1.51Å | 1.49Å | |
| C3 | H3 | sing | 1.09Å | 1.11Å | |
| O3 | HB | sing | 0.97Å | 0.95Å | |
| C4 | O4 | doub | 1.21Å | 1.21Å | |
| C4 | O41 | sing | 1.34Å | 1.33Å | |
| O41 | H41 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | O1 | H1 | 117.7° | 120.0° |
| O1 | C1 | O11 | 117.6° | 120.0° |
| O1 | C1 | C2 | 119.2° | 120.0° |
| O11 | C1 | C2 | 123.1° | 120.0° |
| C1 | C2 | O2 | 110.9° | 109.5° |
| C1 | C2 | C3 | 108.6° | 109.5° |
| C1 | C2 | H2 | 109.7° | 109.4° |
| O2 | C2 | C3 | 108.1° | 109.5° |
| O2 | C2 | H2 | 109.8° | 109.5° |
| C2 | O2 | HA | 110.9° | 106.8° |
| C3 | C2 | H2 | 109.8° | 109.4° |
| C2 | C3 | O3 | 106.5° | 109.5° |
| C2 | C3 | C4 | 111.2° | 109.5° |
| C2 | C3 | H3 | 110.1° | 109.4° |
| O3 | C3 | C4 | 108.8° | 109.5° |
| O3 | C3 | H3 | 110.1° | 109.5° |
| C3 | O3 | HB | 106.5° | 106.8° |
| C4 | C3 | H3 | 110.1° | 109.4° |
| C3 | C4 | O4 | 118.7° | 120.0° |
| C3 | C4 | O41 | 122.6° | 120.0° |
| O4 | C4 | O41 | 118.6° | 120.0° |
| C4 | O41 | H41 | 122.6° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C1 | O11 | C2 | 179.4° | 180.0° |
| O1 | C1 | C2 | O2 | 176.2° | 175.0° |
| O1 | C1 | C2 | C3 | 65.2° | 64.9° |
| O1 | C1 | C2 | H2 | 54.7° | 55.0° |
| H1 | O1 | C1 | O11 | 180.0° | 0.1° |
| H1 | O1 | C1 | C2 | 0.5° | 180.0° |
| O11 | C1 | C2 | O2 | 4.4° | 5.0° |
| O11 | C1 | C2 | C3 | 114.2° | 115.0° |
| O11 | C1 | C2 | H2 | 125.9° | 125.0° |
| C1 | C2 | O2 | C3 | 118.9° | 120.1° |
| C1 | C2 | O2 | H2 | 121.4° | 120.0° |
| C1 | C2 | C3 | H2 | 120.0° | 120.0° |
| C1 | C2 | O2 | HA | 180.0° | 60.0° |
| C1 | C2 | C3 | O3 | 17.9° | 59.9° |
| C1 | C2 | C3 | C4 | 136.2° | 180.0° |
| C1 | C2 | C3 | H3 | 101.4° | 60.0° |
| O2 | C2 | C3 | H2 | 119.7° | 120.0° |
| O2 | C2 | C3 | O3 | 138.2° | 180.0° |
| O2 | C2 | C3 | C4 | 103.4° | 59.9° |
| O2 | C2 | C3 | H3 | 18.9° | 60.0° |
| C3 | C2 | O2 | HA | 61.2° | 60.1° |
| C2 | C3 | O3 | C4 | 119.9° | 120.1° |
| C2 | C3 | O3 | H3 | 119.3° | 120.0° |
| C2 | C3 | C4 | H3 | 122.3° | 120.0° |
| C2 | C3 | O3 | HB | 180.0° | 60.1° |
| C2 | C3 | C4 | O4 | 108.0° | 115.0° |
| C2 | C3 | C4 | O41 | 72.2° | 64.9° |
| H2 | C2 | O2 | HA | 58.5° | 180.0° |
| H2 | C2 | C3 | O3 | 102.1° | 60.0° |
| H2 | C2 | C3 | C4 | 16.3° | 60.0° |
| H2 | C2 | C3 | H3 | 138.6° | 180.0° |
| O3 | C3 | C4 | H3 | 120.8° | 120.0° |
| O3 | C3 | C4 | O4 | 135.1° | 5.0° |
| O3 | C3 | C4 | O41 | 44.8° | 175.0° |
| C4 | C3 | O3 | HB | 60.1° | 60.0° |
| C3 | C4 | O4 | O41 | 179.9° | 180.0° |
| C3 | C4 | O41 | H41 | 179.9° | 180.0° |
| H3 | C3 | O3 | HB | 60.7° | 180.0° |
| H3 | C3 | C4 | O4 | 14.3° | 125.0° |
| H3 | C3 | C4 | O41 | 165.5° | 55.0° |
| O4 | C4 | O41 | H41 | 0.1° | 0.1° |
