TGY
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O6 | C6 | sing | 1.43Å | 1.45Å | |
| O6 | C2 | sing | 1.43Å | 1.44Å | |
| C1 | C2 | sing | 1.53Å | 1.52Å | |
| C6 | C5 | sing | 1.53Å | 1.53Å | |
| C2 | O2 | sing | 1.43Å | 1.42Å | |
| C2 | C3 | sing | 1.53Å | 1.54Å | |
| C5 | O5 | sing | 1.43Å | 1.42Å | |
| C5 | C4 | sing | 1.53Å | 1.53Å | |
| O3 | C3 | sing | 1.43Å | 1.42Å | |
| C3 | C4 | sing | 1.53Å | 1.53Å | |
| C4 | O4 | sing | 1.43Å | 1.42Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C6 | H61 | sing | 1.09Å | 1.10Å | |
| C6 | H62 | sing | 1.09Å | 1.10Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C1 | H11 | sing | 1.09Å | 1.10Å | |
| C1 | H12 | sing | 1.09Å | 1.10Å | |
| C1 | H7 | sing | 1.09Å | 1.10Å | |
| O2 | HO2 | sing | 0.97Å | 0.95Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| O3 | HO3 | sing | 0.97Å | 0.95Å | |
| O4 | HO4 | sing | 0.97Å | 0.95Å | |
| O5 | HO5 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C6 | O6 | C2 | 114.5° | 114.1° |
| O6 | C6 | C5 | 110.1° | 109.4° |
| O6 | C6 | H61 | 109.3° | 109.5° |
| O6 | C6 | H62 | 109.3° | 109.5° |
| O6 | C2 | C1 | 107.2° | 109.5° |
| O6 | C2 | O2 | 107.9° | 109.5° |
| O6 | C2 | C3 | 110.2° | 109.4° |
| C1 | C2 | O2 | 109.7° | 109.5° |
| C1 | C2 | C3 | 112.4° | 109.4° |
| C2 | C1 | H11 | 109.5° | 109.4° |
| C2 | C1 | H12 | 109.5° | 109.5° |
| C2 | C1 | H7 | 109.5° | 109.4° |
| C6 | C5 | O5 | 109.8° | 109.6° |
| C6 | C5 | C4 | 110.3° | 109.2° |
| C6 | C5 | H5 | 108.5° | 109.6° |
| C5 | C6 | H61 | 109.3° | 109.5° |
| C5 | C6 | H62 | 109.3° | 109.5° |
| O2 | C2 | C3 | 109.5° | 109.5° |
| C2 | O2 | HO2 | 109.5° | 114.1° |
| C2 | C3 | O3 | 110.0° | 109.5° |
| C2 | C3 | C4 | 110.5° | 109.1° |
| C2 | C3 | H3 | 108.2° | 109.6° |
| O5 | C5 | C4 | 109.6° | 109.5° |
| O5 | C5 | H5 | 110.0° | 109.5° |
| C5 | O5 | HO5 | 109.5° | 114.0° |
| C5 | C4 | C3 | 110.9° | 109.1° |
| C5 | C4 | O4 | 109.6° | 109.5° |
| C4 | C5 | H5 | 108.5° | 109.5° |
| C5 | C4 | H4 | 108.3° | 109.5° |
| O3 | C3 | C4 | 110.1° | 109.5° |
| O3 | C3 | H3 | 109.8° | 109.6° |
| C3 | O3 | HO3 | 109.5° | 114.0° |
| C3 | C4 | O4 | 109.9° | 109.6° |
| C3 | C4 | H4 | 108.3° | 109.7° |
| C4 | C3 | H3 | 108.3° | 109.5° |
| O4 | C4 | H4 | 109.8° | 109.5° |
| C4 | O4 | HO4 | 109.5° | 114.0° |
| H61 | C6 | H62 | 109.5° | 109.5° |
| H11 | C1 | H12 | 109.4° | 109.5° |
| H11 | C1 | H7 | 109.5° | 109.5° |
| H12 | C1 | H7 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C6 | O6 | C2 | C1 | 178.3° | 178.9° |
| O6 | C6 | C5 | H61 | 120.1° | 120.0° |
| O6 | C6 | C5 | H62 | 120.1° | 120.0° |
| C6 | O6 | C2 | O2 | 60.2° | 58.8° |
| C6 | O6 | C2 | C3 | 59.2° | 61.2° |
| O6 | C6 | C5 | O5 | 176.1° | 177.5° |
| O6 | C6 | C5 | C4 | 55.2° | 57.6° |
| O6 | C6 | C5 | H5 | 63.6° | 62.3° |
| O6 | C6 | H61 | H62 | 119.7° | 120.1° |
| O6 | C2 | C1 | O2 | 116.9° | 120.1° |
| O6 | C2 | C1 | C3 | 121.1° | 119.9° |
| C2 | O6 | C6 | C5 | 59.6° | 61.2° |
| O6 | C2 | O2 | C3 | 119.9° | 120.0° |
| O6 | C2 | C3 | O3 | 67.2° | 62.3° |
| O6 | C2 | C3 | C4 | 54.5° | 57.6° |
| C2 | O6 | C6 | H61 | 179.7° | 58.8° |
| C2 | O6 | C6 | H62 | 60.5° | 178.8° |
| O6 | C2 | C1 | H11 | 180.0° | 60.0° |
| O6 | C2 | C1 | H12 | 60.0° | 59.9° |
| O6 | C2 | C1 | H7 | 60.0° | 180.0° |
| O6 | C2 | O2 | HO2 | 180.0° | 60.1° |
| O6 | C2 | C3 | H3 | 172.9° | 177.5° |
| C1 | C2 | O2 | C3 | 123.7° | 120.0° |
| C1 | C2 | C3 | O3 | 52.2° | 57.7° |
| C1 | C2 | C3 | C4 | 173.9° | 177.6° |
| C2 | C1 | H11 | H12 | 120.0° | 120.0° |
| C2 | C1 | H11 | H7 | 120.0° | 119.9° |
| C2 | C1 | H12 | H7 | 120.0° | 120.0° |
| C1 | C2 | O2 | HO2 | 63.6° | 60.0° |
| C1 | C2 | C3 | H3 | 67.7° | 62.5° |
| C6 | C5 | O5 | C4 | 121.4° | 119.7° |
| C6 | C5 | O5 | H5 | 119.4° | 120.2° |
| C6 | C5 | C4 | H5 | 118.7° | 119.9° |
| C6 | C5 | C4 | C3 | 53.5° | 56.9° |
| C6 | C5 | C4 | O4 | 175.0° | 176.9° |
| C5 | C6 | H61 | H62 | 119.7° | 120.0° |
| C6 | C5 | C4 | H4 | 65.2° | 63.1° |
| C6 | C5 | O5 | HO5 | 180.0° | 60.3° |
| O2 | C2 | C3 | O3 | 174.4° | 177.7° |
| O2 | C2 | C3 | C4 | 64.0° | 62.4° |
| O2 | C2 | C1 | H11 | 63.1° | 60.0° |
| O2 | C2 | C1 | H12 | 56.9° | 180.0° |
| O2 | C2 | C1 | H7 | 176.9° | 60.0° |
| O2 | C2 | C3 | H3 | 54.4° | 57.5° |
| C2 | C3 | C4 | C5 | 53.1° | 56.9° |
| C2 | C3 | O3 | C4 | 121.9° | 119.7° |
| C2 | C3 | O3 | H3 | 119.0° | 120.2° |
| C2 | C3 | C4 | H3 | 118.4° | 119.9° |
| C2 | C3 | C4 | O4 | 174.5° | 176.8° |
| C2 | C3 | C4 | H4 | 65.6° | 63.0° |
| C3 | C2 | C1 | H11 | 58.9° | 180.0° |
| C3 | C2 | C1 | H12 | 178.9° | 60.0° |
| C3 | C2 | C1 | H7 | 61.1° | 60.1° |
| C3 | C2 | O2 | HO2 | 60.1° | 180.0° |
| C2 | C3 | O3 | HO3 | 180.0° | 180.0° |
| O5 | C5 | C4 | H5 | 120.2° | 120.1° |
| O5 | C5 | C4 | C3 | 174.6° | 176.9° |
| O5 | C5 | C4 | O4 | 63.9° | 63.2° |
| O5 | C5 | C6 | H61 | 63.8° | 57.5° |
| O5 | C5 | C6 | H62 | 56.0° | 62.5° |
| O5 | C5 | C4 | H4 | 55.9° | 56.9° |
| C5 | C4 | C3 | O3 | 68.5° | 63.0° |
| C5 | C4 | C3 | O4 | 121.4° | 119.9° |
| C5 | C4 | C3 | H4 | 118.7° | 119.9° |
| C5 | C4 | O4 | H4 | 118.8° | 120.1° |
| C4 | C5 | C6 | H61 | 175.3° | 62.4° |
| C4 | C5 | C6 | H62 | 64.9° | 177.6° |
| C5 | C4 | C3 | H3 | 171.5° | 176.9° |
| C5 | C4 | O4 | HO4 | 180.0° | 60.0° |
| C4 | C5 | O5 | HO5 | 58.6° | 180.0° |
| O3 | C3 | C4 | H3 | 120.0° | 120.2° |
| O3 | C3 | C4 | O4 | 52.9° | 56.9° |
| O3 | C3 | C4 | H4 | 172.8° | 177.1° |
| C3 | C4 | O4 | H4 | 119.0° | 120.3° |
| C3 | C4 | C5 | H5 | 65.3° | 63.0° |
| C4 | C3 | O3 | HO3 | 58.1° | 60.3° |
| C3 | C4 | O4 | HO4 | 57.8° | 179.6° |
| O4 | C4 | C5 | H5 | 56.3° | 56.9° |
| O4 | C4 | C3 | H3 | 67.1° | 63.2° |
| H5 | C5 | C6 | H61 | 56.5° | 177.7° |
| H5 | C5 | C6 | H62 | 176.3° | 57.7° |
| H5 | C5 | C4 | H4 | 176.1° | 177.0° |
| H5 | C5 | O5 | HO5 | 60.7° | 59.9° |
| H4 | C4 | C3 | H3 | 52.8° | 57.0° |
| H4 | C4 | O4 | HO4 | 61.2° | 60.1° |
| H11 | C1 | H12 | H7 | 120.0° | 120.1° |
| H3 | C3 | O3 | HO3 | 61.0° | 59.8° |
