TGS
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O3 | C3 | doub | 1.21Å | 1.24Å | |
| O4 | C4 | sing | 1.43Å | 1.42Å | |
| O2 | C2 | sing | 1.43Å | 1.42Å | |
| C3 | C4 | sing | 1.51Å | 1.52Å | |
| C3 | C2 | sing | 1.51Å | 1.52Å | |
| C4 | C5 | sing | 1.53Å | 1.54Å | |
| C2 | C1 | sing | 1.53Å | 1.52Å | |
| O5 | C5 | sing | 1.43Å | 1.42Å | |
| C5 | C6 | sing | 1.53Å | 1.51Å | |
| C6 | O6 | sing | 1.43Å | 1.41Å | |
| 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 | |
| C4 | H6 | sing | 1.09Å | 1.10Å | |
| O4 | H7 | sing | 0.97Å | 0.95Å | |
| C5 | H8 | sing | 1.09Å | 1.10Å | |
| O5 | H9 | sing | 0.97Å | 0.95Å | |
| C6 | H10 | sing | 1.09Å | 1.10Å | |
| C6 | H11 | sing | 1.09Å | 1.10Å | |
| O6 | H12 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O3 | C3 | C4 | 120.0° | 120.0° |
| O3 | C3 | C2 | 120.1° | 120.0° |
| O4 | C4 | C3 | 110.1° | 109.5° |
| O4 | C4 | C5 | 110.6° | 109.5° |
| O4 | C4 | H6 | 109.7° | 109.5° |
| C4 | O4 | H7 | 109.5° | 114.1° |
| O2 | C2 | C3 | 109.9° | 109.5° |
| O2 | C2 | C1 | 109.9° | 109.4° |
| O2 | C2 | H4 | 110.0° | 109.5° |
| C2 | O2 | H5 | 109.5° | 114.0° |
| C4 | C3 | C2 | 119.6° | 120.0° |
| C3 | C4 | C5 | 110.0° | 109.5° |
| C3 | C4 | H6 | 108.3° | 109.5° |
| C3 | C2 | C1 | 109.9° | 109.5° |
| C3 | C2 | H4 | 108.5° | 109.5° |
| C4 | C5 | O5 | 110.1° | 109.5° |
| C4 | C5 | C6 | 113.2° | 109.5° |
| C5 | C4 | H6 | 108.1° | 109.4° |
| C4 | C5 | H8 | 107.4° | 109.5° |
| C2 | C1 | H1 | 109.5° | 109.5° |
| C2 | C1 | H2 | 109.5° | 109.5° |
| C2 | C1 | H3 | 109.5° | 109.5° |
| C1 | C2 | H4 | 108.5° | 109.5° |
| O5 | C5 | C6 | 109.2° | 109.4° |
| O5 | C5 | H8 | 109.0° | 109.4° |
| C5 | O5 | H9 | 109.5° | 114.0° |
| C5 | C6 | O6 | 110.7° | 109.5° |
| C6 | C5 | H8 | 107.8° | 109.5° |
| C5 | C6 | H10 | 109.1° | 109.5° |
| C5 | C6 | H11 | 109.2° | 109.5° |
| O6 | C6 | H10 | 109.2° | 109.4° |
| O6 | C6 | H11 | 109.2° | 109.5° |
| C6 | O6 | H12 | 109.5° | 114.0° |
| H1 | C1 | H2 | 109.5° | 109.4° |
| H1 | C1 | H3 | 109.5° | 109.5° |
| H2 | C1 | H3 | 109.5° | 109.4° |
| H10 | C6 | H11 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O3 | C3 | C4 | O4 | 17.0° | 15.0° |
| O3 | C3 | C2 | O2 | 12.1° | 15.0° |
| O3 | C3 | C4 | C2 | 173.6° | 180.0° |
| O3 | C3 | C4 | C5 | 139.0° | 105.1° |
| O3 | C3 | C2 | C1 | 109.0° | 105.0° |
| O3 | C3 | C2 | H4 | 132.4° | 135.0° |
| O3 | C3 | C4 | H6 | 103.0° | 135.0° |
| O4 | C4 | C3 | C5 | 122.1° | 120.0° |
| O4 | C4 | C3 | H6 | 120.0° | 120.0° |
| O4 | C4 | C3 | C2 | 169.4° | 165.0° |
| O4 | C4 | C5 | H6 | 120.1° | 120.0° |
| O4 | C4 | C5 | O5 | 75.8° | 65.0° |
| O4 | C4 | C5 | C6 | 46.7° | 55.0° |
| O4 | C4 | C5 | H8 | 165.6° | 175.0° |
| O2 | C2 | C3 | C4 | 174.3° | 165.0° |
| O2 | C2 | C3 | C1 | 121.1° | 120.0° |
| O2 | C2 | C3 | H4 | 120.3° | 120.0° |
| O2 | C2 | C1 | H4 | 120.3° | 120.0° |
| O2 | C2 | C1 | H1 | 180.0° | 179.9° |
| O2 | C2 | C1 | H2 | 60.0° | 60.0° |
| O2 | C2 | C1 | H3 | 60.0° | 60.0° |
| C3 | C4 | C5 | H6 | 118.1° | 120.0° |
| C4 | C3 | C2 | C1 | 64.6° | 75.0° |
| C3 | C4 | C5 | O5 | 45.9° | 55.0° |
| C3 | C4 | C5 | C6 | 168.5° | 175.0° |
| C4 | C3 | C2 | H4 | 54.0° | 45.0° |
| C3 | C4 | O4 | H7 | 7.5° | 60.0° |
| C3 | C4 | C5 | H8 | 72.6° | 64.9° |
| C2 | C3 | C4 | C5 | 47.4° | 75.0° |
| C3 | C2 | C1 | H4 | 118.6° | 120.0° |
| C3 | C2 | C1 | H1 | 58.9° | 60.0° |
| C3 | C2 | C1 | H2 | 178.9° | 180.0° |
| C3 | C2 | C1 | H3 | 61.1° | 60.0° |
| C3 | C2 | O2 | H5 | 5.4° | 180.0° |
| C2 | C3 | C4 | H6 | 70.6° | 45.0° |
| C4 | C5 | O5 | C6 | 124.8° | 120.0° |
| C4 | C5 | O5 | H8 | 117.6° | 120.0° |
| C4 | C5 | C6 | H8 | 118.7° | 120.1° |
| C4 | C5 | C6 | O6 | 51.4° | 175.0° |
| C5 | C4 | O4 | H7 | 129.3° | 60.1° |
| C4 | C5 | O5 | H9 | 180.0° | 59.9° |
| C4 | C5 | C6 | H10 | 68.8° | 55.0° |
| C4 | C5 | C6 | H11 | 171.6° | 65.0° |
| C2 | C1 | H1 | H2 | 120.0° | 120.0° |
| C2 | C1 | H1 | H3 | 120.0° | 120.1° |
| C2 | C1 | H2 | H3 | 120.0° | 120.0° |
| C1 | C2 | O2 | H5 | 115.7° | 60.0° |
| O5 | C5 | C6 | H8 | 118.3° | 120.0° |
| O5 | C5 | C6 | O6 | 174.4° | 65.0° |
| O5 | C5 | C4 | H6 | 164.1° | 175.0° |
| O5 | C5 | C6 | H10 | 54.2° | 175.0° |
| O5 | C5 | C6 | H11 | 65.4° | 55.0° |
| C5 | C6 | O6 | H10 | 120.2° | 120.0° |
| C5 | C6 | O6 | H11 | 120.2° | 120.0° |
| C6 | C5 | C4 | H6 | 73.4° | 65.1° |
| C6 | C5 | O5 | H9 | 55.2° | 60.0° |
| C5 | C6 | H10 | H11 | 119.4° | 120.0° |
| C5 | C6 | O6 | H12 | 180.0° | 180.0° |
| O6 | C6 | C5 | H8 | 67.3° | 54.9° |
| O6 | C6 | H10 | H11 | 119.4° | 120.0° |
| H1 | C1 | H2 | H3 | 120.0° | 120.0° |
| H1 | C1 | C2 | H4 | 59.7° | 60.0° |
| H2 | C1 | C2 | H4 | 60.3° | 60.0° |
| H3 | C1 | C2 | H4 | 179.7° | 180.0° |
| H4 | C2 | O2 | H5 | 124.8° | 60.0° |
| H6 | C4 | O4 | H7 | 111.6° | 180.0° |
| H6 | C4 | C5 | H8 | 45.5° | 55.0° |
| H8 | C5 | O5 | H9 | 62.4° | 179.9° |
| H8 | C5 | C6 | H10 | 172.5° | 65.0° |
| H8 | C5 | C6 | H11 | 52.9° | 174.9° |
| H10 | C6 | O6 | H12 | 59.8° | 60.0° |
| H11 | C6 | O6 | H12 | 59.8° | 60.0° |
