TAR
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O1 | C1 | doub | 1.21Å | 1.25Å | |
| O11 | C1 | sing | 1.34Å | 1.27Å | |
| O11 | HO1 | sing | 0.97Å | 0.95Å | |
| C1 | C2 | sing | 1.51Å | 1.53Å | |
| C2 | O2 | sing | 1.43Å | 1.42Å | |
| C2 | C3 | sing | 1.53Å | 1.54Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| O2 | HO2 | sing | 0.97Å | 0.95Å | |
| C3 | O3 | sing | 1.43Å | 1.42Å | |
| C3 | C4 | sing | 1.51Å | 1.55Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| O3 | HO3 | sing | 0.97Å | 0.95Å | |
| C4 | O4 | doub | 1.21Å | 1.22Å | |
| C4 | O41 | sing | 1.34Å | 1.28Å | |
| O41 | HO4 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C1 | O11 | 123.0° | 120.0° |
| O1 | C1 | C2 | 121.4° | 120.0° |
| C1 | O11 | HO1 | 109.5° | 117.0° |
| O11 | C1 | C2 | 115.6° | 120.0° |
| C1 | C2 | O2 | 112.8° | 109.5° |
| C1 | C2 | C3 | 109.1° | 109.5° |
| C1 | C2 | H2 | 107.4° | 109.5° |
| O2 | C2 | C3 | 109.2° | 109.5° |
| O2 | C2 | H2 | 107.3° | 109.4° |
| C2 | O2 | HO2 | 109.5° | 113.9° |
| C3 | C2 | H2 | 111.1° | 109.5° |
| C2 | C3 | O3 | 112.0° | 109.5° |
| C2 | C3 | C4 | 105.8° | 109.5° |
| C2 | C3 | H3 | 110.6° | 109.5° |
| O3 | C3 | C4 | 110.4° | 109.5° |
| O3 | C3 | H3 | 106.0° | 109.5° |
| C3 | O3 | HO3 | 109.5° | 114.0° |
| C4 | C3 | H3 | 112.2° | 109.5° |
| C3 | C4 | O4 | 119.0° | 120.0° |
| C3 | C4 | O41 | 112.2° | 120.0° |
| O4 | C4 | O41 | 128.7° | 120.0° |
| C4 | O41 | HO4 | 109.5° | 117.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C1 | O11 | C2 | 179.3° | 180.0° |
| O1 | C1 | O11 | HO1 | 0.0° | 0.0° |
| O1 | C1 | C2 | O2 | 10.9° | 5.0° |
| O1 | C1 | C2 | C3 | 110.6° | 115.0° |
| O1 | C1 | C2 | H2 | 128.8° | 125.0° |
| O11 | C1 | C2 | O2 | 168.4° | 175.0° |
| O11 | C1 | C2 | C3 | 70.1° | 65.0° |
| O11 | C1 | C2 | H2 | 50.5° | 55.1° |
| HO1 | O11 | C1 | C2 | 179.3° | 180.0° |
| C1 | C2 | O2 | C3 | 121.4° | 120.0° |
| C1 | C2 | O2 | H2 | 118.1° | 119.9° |
| C1 | C2 | C3 | H2 | 118.2° | 120.0° |
| C1 | C2 | O2 | HO2 | 4.7° | 60.1° |
| C1 | C2 | C3 | O3 | 84.2° | 55.0° |
| C1 | C2 | C3 | C4 | 155.5° | 175.0° |
| C1 | C2 | C3 | H3 | 33.8° | 65.0° |
| O2 | C2 | C3 | H2 | 118.1° | 120.0° |
| O2 | C2 | C3 | O3 | 39.4° | 65.0° |
| O2 | C2 | C3 | C4 | 80.9° | 55.0° |
| O2 | C2 | C3 | H3 | 157.4° | 175.0° |
| C3 | C2 | O2 | HO2 | 116.7° | 60.0° |
| C2 | C3 | O3 | C4 | 117.6° | 120.0° |
| C2 | C3 | O3 | H3 | 120.7° | 120.0° |
| C2 | C3 | C4 | H3 | 120.6° | 120.0° |
| C2 | C3 | O3 | HO3 | 110.7° | 60.0° |
| C2 | C3 | C4 | O4 | 105.7° | 115.0° |
| C2 | C3 | C4 | O41 | 73.1° | 65.0° |
| H2 | C2 | O2 | HO2 | 122.8° | 180.0° |
| H2 | C2 | C3 | O3 | 157.5° | 175.0° |
| H2 | C2 | C3 | C4 | 37.2° | 65.0° |
| H2 | C2 | C3 | H3 | 84.5° | 55.0° |
| O3 | C3 | C4 | H3 | 118.0° | 120.0° |
| O3 | C3 | C4 | O4 | 15.6° | 5.0° |
| O3 | C3 | C4 | O41 | 165.5° | 175.0° |
| C4 | C3 | O3 | HO3 | 7.0° | 60.0° |
| C3 | C4 | O4 | O41 | 178.6° | 179.9° |
| C3 | C4 | O41 | HO4 | 178.7° | 180.0° |
| H3 | C3 | O3 | HO3 | 128.7° | 180.0° |
| H3 | C3 | C4 | O4 | 133.6° | 125.0° |
| H3 | C3 | C4 | O41 | 47.6° | 55.1° |
| O4 | C4 | O41 | HO4 | 0.0° | 0.1° |
