TGR
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O4 | C4 | sing | 1.43Å | 1.42Å | |
| O2 | C2 | sing | 1.43Å | 1.42Å | |
| C2 | C1 | sing | 1.53Å | 1.52Å | |
| C2 | C3 | sing | 1.53Å | 1.53Å | |
| C4 | C5 | sing | 1.55Å | 1.53Å | |
| C4 | C3 | sing | 1.54Å | 1.52Å | |
| C5 | C6 | sing | 1.54Å | 1.53Å | |
| C5 | O5 | sing | 1.43Å | 1.42Å | |
| C6 | O6 | sing | 1.44Å | 1.44Å | |
| C3 | O6 | sing | 1.44Å | 1.43Å | |
| C3 | O3 | sing | 1.43Å | 1.42Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C2 | H4 | sing | 1.09Å | 1.10Å | |
| O2 | H5 | sing | 0.97Å | 0.95Å | |
| O3 | H6 | sing | 0.97Å | 0.95Å | |
| C4 | H7 | sing | 1.09Å | 1.10Å | |
| O4 | H8 | sing | 0.97Å | 0.95Å | |
| C5 | H9 | sing | 1.09Å | 1.10Å | |
| O5 | H10 | sing | 0.97Å | 0.95Å | |
| C6 | H11 | sing | 1.09Å | 1.10Å | |
| C6 | H12 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O4 | C4 | C5 | 109.2° | 110.5° |
| O4 | C4 | C3 | 109.5° | 110.5° |
| O4 | C4 | H7 | 112.3° | 110.6° |
| C4 | O4 | H8 | 109.5° | 114.0° |
| O2 | C2 | C1 | 109.7° | 109.5° |
| O2 | C2 | C3 | 109.6° | 109.4° |
| O2 | C2 | H4 | 109.1° | 109.4° |
| C2 | O2 | H5 | 109.5° | 114.0° |
| C1 | C2 | C3 | 112.9° | 109.5° |
| C2 | C1 | H1 | 109.5° | 109.4° |
| C2 | C1 | H2 | 109.5° | 109.5° |
| C2 | C1 | H3 | 109.4° | 109.5° |
| C1 | C2 | H4 | 107.8° | 109.5° |
| C2 | C3 | C4 | 112.1° | 110.4° |
| C2 | C3 | O6 | 110.9° | 110.4° |
| C2 | C3 | O3 | 109.7° | 110.3° |
| C3 | C2 | H4 | 107.7° | 109.5° |
| C5 | C4 | C3 | 103.9° | 104.1° |
| C4 | C5 | C6 | 104.6° | 104.0° |
| C4 | C5 | O5 | 109.4° | 110.5° |
| C5 | C4 | H7 | 110.7° | 110.5° |
| C4 | C5 | H9 | 110.6° | 110.6° |
| C4 | C3 | O6 | 106.7° | 104.8° |
| C4 | C3 | O3 | 109.7° | 110.5° |
| C3 | C4 | H7 | 110.7° | 110.5° |
| C6 | C5 | O5 | 109.2° | 110.5° |
| C5 | C6 | O6 | 107.1° | 104.8° |
| C6 | C5 | H9 | 110.6° | 110.5° |
| C5 | C6 | H11 | 110.1° | 110.4° |
| C5 | C6 | H12 | 110.1° | 110.4° |
| O5 | C5 | H9 | 112.2° | 110.6° |
| C5 | O5 | H10 | 109.5° | 114.0° |
| C6 | O6 | C3 | 110.9° | 105.3° |
| O6 | C6 | H11 | 110.1° | 110.4° |
| O6 | C6 | H12 | 110.0° | 110.4° |
| O6 | C3 | O3 | 107.6° | 110.4° |
| C3 | O3 | H6 | 109.5° | 114.0° |
| H1 | C1 | H2 | 109.5° | 109.5° |
| H1 | C1 | H3 | 109.5° | 109.5° |
| H2 | C1 | H3 | 109.5° | 109.5° |
| H11 | C6 | H12 | 109.5° | 110.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O4 | C4 | C3 | C2 | 29.8° | 24.2° |
| O4 | C4 | C5 | C3 | 116.8° | 118.6° |
| O4 | C4 | C5 | H7 | 124.2° | 122.7° |
| O4 | C4 | C3 | H7 | 124.4° | 122.8° |
| O4 | C4 | C5 | C6 | 91.9° | 118.6° |
| O4 | C4 | C5 | O5 | 151.3° | 122.7° |
| O4 | C4 | C3 | O6 | 91.7° | 94.6° |
| O4 | C4 | C3 | O3 | 152.0° | 146.5° |
| O4 | C4 | C5 | H9 | 27.2° | 0.0° |
| O2 | C2 | C1 | C3 | 122.6° | 120.0° |
| O2 | C2 | C1 | H4 | 118.7° | 119.9° |
| O2 | C2 | C3 | H4 | 118.5° | 120.0° |
| O2 | C2 | C3 | C4 | 48.6° | 58.2° |
| O2 | C2 | C3 | O6 | 167.7° | 173.6° |
| O2 | C2 | C3 | O3 | 73.5° | 64.2° |
| O2 | C2 | C1 | H1 | 180.0° | 180.0° |
| O2 | C2 | C1 | H2 | 60.0° | 60.0° |
| O2 | C2 | C1 | H3 | 60.0° | 60.0° |
| C1 | C2 | C3 | H4 | 118.8° | 120.1° |
| C1 | C2 | C3 | C4 | 171.2° | 178.2° |
| C1 | C2 | C3 | O6 | 69.6° | 66.5° |
| C1 | C2 | C3 | O3 | 49.2° | 55.8° |
| C2 | C1 | H1 | H2 | 120.0° | 120.0° |
| C2 | C1 | H1 | H3 | 120.0° | 120.0° |
| C2 | C1 | H2 | H3 | 119.9° | 120.0° |
| C1 | C2 | O2 | H5 | 180.0° | 60.0° |
| C2 | C3 | C4 | C5 | 146.5° | 142.8° |
| C2 | C3 | C4 | O6 | 121.6° | 118.8° |
| C2 | C3 | C4 | O3 | 122.1° | 122.3° |
| C2 | C3 | O6 | C6 | 137.4° | 159.3° |
| C2 | C3 | O6 | O3 | 120.0° | 122.2° |
| C3 | C2 | C1 | H1 | 57.4° | 60.0° |
| C3 | C2 | C1 | H2 | 177.5° | 180.0° |
| C3 | C2 | C1 | H3 | 62.6° | 60.0° |
| C3 | C2 | O2 | H5 | 55.5° | 60.0° |
| C2 | C3 | O3 | H6 | 180.0° | 59.3° |
| C2 | C3 | C4 | H7 | 94.6° | 98.6° |
| C5 | C4 | C3 | H7 | 118.9° | 118.6° |
| C4 | C5 | C6 | O5 | 117.0° | 118.6° |
| C4 | C5 | C6 | H9 | 119.0° | 118.7° |
| C4 | C5 | O5 | H9 | 123.1° | 122.7° |
| C4 | C5 | C6 | O6 | 16.8° | 24.0° |
| C5 | C4 | C3 | O6 | 24.9° | 24.0° |
| C5 | C4 | C3 | O3 | 91.4° | 94.9° |
| C5 | C4 | O4 | H8 | 180.0° | 61.5° |
| C4 | C5 | O5 | H10 | 180.0° | 179.9° |
| C4 | C5 | C6 | H11 | 136.4° | 94.8° |
| C4 | C5 | C6 | H12 | 102.9° | 142.9° |
| C3 | C4 | C5 | C6 | 25.0° | 0.0° |
| C3 | C4 | C5 | O5 | 91.9° | 118.6° |
| C4 | C3 | O6 | C6 | 15.1° | 40.5° |
| C4 | C3 | O6 | O3 | 117.7° | 118.9° |
| C4 | C3 | C2 | H4 | 69.9° | 61.8° |
| C4 | C3 | O3 | H6 | 56.5° | 178.4° |
| C3 | C4 | O4 | H8 | 66.8° | 176.1° |
| C3 | C4 | C5 | H9 | 144.0° | 118.7° |
| C6 | C5 | O5 | H9 | 123.0° | 122.7° |
| C5 | C6 | O6 | H11 | 119.7° | 118.8° |
| C5 | C6 | O6 | H12 | 119.6° | 118.9° |
| C5 | C6 | O6 | C3 | 1.2° | 40.5° |
| C6 | C5 | C4 | H7 | 143.9° | 118.6° |
| C6 | C5 | O5 | H10 | 66.1° | 65.3° |
| C5 | C6 | H11 | H12 | 121.1° | 122.3° |
| O5 | C5 | C6 | O6 | 100.2° | 142.6° |
| O5 | C5 | C4 | H7 | 27.1° | 0.0° |
| O5 | C5 | C6 | H11 | 19.4° | 23.8° |
| O5 | C5 | C6 | H12 | 140.1° | 98.5° |
| C6 | O6 | C3 | O3 | 102.6° | 78.4° |
| O6 | C6 | C5 | H9 | 135.8° | 94.7° |
| O6 | C6 | H11 | H12 | 121.1° | 122.3° |
| O6 | C3 | C2 | H4 | 49.2° | 53.6° |
| O6 | C3 | O3 | H6 | 59.2° | 62.9° |
| O6 | C3 | C4 | H7 | 143.8° | 142.6° |
| C3 | O6 | C6 | H11 | 120.8° | 78.3° |
| C3 | O6 | C6 | H12 | 118.5° | 159.4° |
| O3 | C3 | C2 | H4 | 168.0° | 175.8° |
| O3 | C3 | C4 | H7 | 27.5° | 23.7° |
| H1 | C1 | H2 | H3 | 120.0° | 120.0° |
| H1 | C1 | C2 | H4 | 61.4° | 60.1° |
| H2 | C1 | C2 | H4 | 58.7° | 59.9° |
| H3 | C1 | C2 | H4 | 178.6° | 179.9° |
| H4 | C2 | O2 | H5 | 62.2° | 180.0° |
| H7 | C4 | O4 | H8 | 56.7° | 61.2° |
| H7 | C4 | C5 | H9 | 97.0° | 122.7° |
| H9 | C5 | O5 | H10 | 56.8° | 57.4° |
| H9 | C5 | C6 | H11 | 104.5° | 146.5° |
| H9 | C5 | C6 | H12 | 16.2° | 24.2° |
