HQ8
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C6 | C5 | sing | 1.53Å | 1.51Å | |
| C6 | C7 | sing | 1.53Å | 1.53Å | |
| C6 | O5 | sing | 1.43Å | 1.43Å | |
| C5 | C4 | sing | 1.53Å | 1.55Å | |
| C7 | C1 | sing | 1.53Å | 1.51Å | |
| C4 | O3 | sing | 1.43Å | 1.45Å | |
| C4 | C2 | sing | 1.53Å | 1.55Å | |
| C1 | C2 | sing | 1.53Å | 1.54Å | |
| C1 | O1 | sing | 1.43Å | 1.43Å | |
| C2 | O4 | sing | 1.43Å | 1.44Å | |
| C5 | O2 | sing | 1.43Å | 1.46Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C4 | H3 | sing | 1.09Å | 1.10Å | |
| C5 | H4 | sing | 1.09Å | 1.10Å | |
| C6 | H5 | sing | 1.09Å | 1.10Å | |
| C7 | H6 | sing | 1.09Å | 1.10Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| O1 | H8 | sing | 0.97Å | 0.95Å | |
| O3 | H9 | sing | 0.97Å | 0.95Å | |
| O4 | H10 | sing | 0.97Å | 0.95Å | |
| O5 | H11 | sing | 0.97Å | 0.95Å | |
| O2 | H12 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C5 | C6 | C7 | 113.7° | 109.5° |
| C5 | C6 | O5 | 109.2° | 109.5° |
| C6 | C5 | C4 | 107.1° | 109.4° |
| C6 | C5 | O2 | 104.3° | 109.4° |
| C6 | C5 | H4 | 109.7° | 109.5° |
| C5 | C6 | H5 | 108.5° | 109.4° |
| C7 | C6 | O5 | 107.4° | 109.5° |
| C6 | C7 | C1 | 112.8° | 109.4° |
| C7 | C6 | H5 | 108.3° | 109.5° |
| C6 | C7 | H6 | 108.6° | 109.5° |
| C6 | C7 | H7 | 108.6° | 109.5° |
| O5 | C6 | H5 | 109.6° | 109.4° |
| C6 | O5 | H11 | 109.5° | 114.0° |
| C5 | C4 | O3 | 111.3° | 109.4° |
| C5 | C4 | C2 | 109.1° | 109.5° |
| C4 | C5 | O2 | 115.9° | 109.5° |
| C5 | C4 | H3 | 107.9° | 109.5° |
| C4 | C5 | H4 | 109.3° | 109.5° |
| C7 | C1 | C2 | 108.4° | 109.5° |
| C7 | C1 | O1 | 111.7° | 109.4° |
| C7 | C1 | H1 | 107.8° | 109.5° |
| C1 | C7 | H6 | 108.7° | 109.5° |
| C1 | C7 | H7 | 108.6° | 109.4° |
| O3 | C4 | C2 | 111.6° | 109.5° |
| O3 | C4 | H3 | 109.1° | 109.5° |
| C4 | O3 | H9 | 109.5° | 114.0° |
| C4 | C2 | C1 | 111.8° | 109.4° |
| C4 | C2 | O4 | 109.5° | 109.4° |
| C4 | C2 | H2 | 108.2° | 109.5° |
| C2 | C4 | H3 | 107.8° | 109.5° |
| C2 | C1 | O1 | 112.6° | 109.4° |
| C1 | C2 | O4 | 109.4° | 109.5° |
| C2 | C1 | H1 | 107.4° | 109.5° |
| C1 | C2 | H2 | 108.4° | 109.5° |
| O1 | C1 | H1 | 108.8° | 109.5° |
| C1 | O1 | H8 | 109.5° | 113.9° |
| O4 | C2 | H2 | 109.6° | 109.5° |
| C2 | O4 | H10 | 109.5° | 114.0° |
| O2 | C5 | H4 | 110.4° | 109.5° |
| C5 | O2 | H12 | 109.5° | 114.0° |
| H6 | C7 | H7 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C5 | C6 | C7 | O5 | 121.0° | 120.0° |
| C5 | C6 | C7 | H5 | 120.7° | 120.0° |
| C5 | C6 | O5 | H5 | 118.7° | 120.0° |
| C6 | C5 | C4 | O2 | 115.8° | 119.9° |
| C6 | C5 | C4 | H4 | 118.8° | 120.0° |
| C5 | C6 | C7 | C1 | 56.1° | 60.0° |
| C6 | C5 | C4 | O3 | 177.0° | 180.0° |
| C6 | C5 | C4 | C2 | 59.5° | 60.0° |
| C6 | C5 | O2 | H4 | 117.7° | 120.0° |
| C6 | C5 | C4 | H3 | 57.3° | 60.1° |
| C5 | C6 | C7 | H6 | 176.6° | 60.0° |
| C5 | C6 | C7 | H7 | 64.4° | 180.0° |
| C5 | C6 | O5 | H11 | 180.0° | 180.0° |
| C6 | C5 | O2 | H12 | 180.0° | 60.1° |
| C7 | C6 | O5 | H5 | 117.5° | 120.0° |
| C7 | C6 | C5 | C4 | 57.7° | 60.0° |
| C6 | C7 | C1 | H6 | 120.5° | 120.1° |
| C6 | C7 | C1 | H7 | 120.5° | 119.9° |
| C6 | C7 | C1 | C2 | 52.5° | 60.1° |
| C6 | C7 | C1 | O1 | 177.1° | 180.0° |
| C7 | C6 | C5 | O2 | 65.6° | 59.9° |
| C6 | C7 | C1 | H1 | 63.5° | 60.0° |
| C7 | C6 | C5 | H4 | 176.2° | 180.0° |
| C6 | C7 | H6 | H7 | 118.5° | 120.0° |
| C7 | C6 | O5 | H11 | 56.2° | 60.0° |
| O5 | C6 | C5 | C4 | 62.3° | 60.0° |
| O5 | C6 | C7 | C1 | 64.9° | 60.0° |
| O5 | C6 | C5 | O2 | 174.4° | 180.0° |
| O5 | C6 | C5 | H4 | 56.2° | 60.0° |
| O5 | C6 | C7 | H6 | 55.6° | 180.0° |
| O5 | C6 | C7 | H7 | 174.6° | 60.0° |
| C5 | C4 | O3 | C2 | 122.1° | 120.0° |
| C5 | C4 | O3 | H3 | 118.9° | 120.0° |
| C5 | C4 | C2 | H3 | 116.9° | 120.0° |
| C5 | C4 | C2 | C1 | 61.6° | 60.0° |
| C5 | C4 | C2 | O4 | 177.1° | 180.0° |
| C4 | C5 | O2 | H4 | 124.8° | 120.1° |
| C5 | C4 | C2 | H2 | 57.7° | 60.0° |
| C4 | C5 | C6 | H5 | 178.3° | 180.0° |
| C5 | C4 | O3 | H9 | 180.0° | 60.0° |
| C4 | C5 | O2 | H12 | 62.5° | 180.0° |
| C7 | C1 | C2 | C4 | 56.5° | 60.1° |
| C7 | C1 | C2 | O1 | 124.1° | 119.9° |
| C7 | C1 | C2 | H1 | 116.2° | 120.1° |
| C7 | C1 | O1 | H1 | 118.9° | 120.1° |
| C7 | C1 | C2 | O4 | 177.9° | 180.0° |
| C7 | C1 | C2 | H2 | 62.7° | 59.9° |
| C1 | C7 | C6 | H5 | 176.8° | 180.0° |
| C1 | C7 | H6 | H7 | 118.5° | 120.0° |
| C7 | C1 | O1 | H8 | 180.0° | 60.1° |
| O3 | C4 | C2 | H3 | 119.7° | 120.0° |
| O3 | C4 | C2 | C1 | 175.0° | 180.0° |
| O3 | C4 | C2 | O4 | 53.7° | 60.0° |
| O3 | C4 | C5 | O2 | 67.2° | 60.1° |
| O3 | C4 | C2 | H2 | 65.8° | 60.0° |
| O3 | C4 | C5 | H4 | 58.2° | 60.0° |
| C4 | C2 | C1 | O4 | 121.4° | 119.9° |
| C4 | C2 | C1 | H2 | 119.2° | 120.0° |
| C4 | C2 | C1 | O1 | 179.4° | 180.0° |
| C4 | C2 | O4 | H2 | 118.6° | 120.0° |
| C2 | C4 | C5 | O2 | 56.4° | 59.9° |
| C4 | C2 | C1 | H1 | 59.7° | 60.0° |
| C2 | C4 | C5 | H4 | 178.3° | 180.0° |
| C2 | C4 | O3 | H9 | 57.8° | 180.0° |
| C4 | C2 | O4 | H10 | 180.0° | 180.0° |
| C2 | C1 | O1 | H1 | 118.9° | 120.0° |
| C1 | C2 | O4 | H2 | 118.7° | 120.1° |
| C1 | C2 | C4 | H3 | 55.3° | 60.0° |
| C2 | C1 | C7 | H6 | 173.0° | 60.0° |
| C2 | C1 | C7 | H7 | 68.0° | 180.0° |
| C2 | C1 | O1 | H8 | 57.8° | 180.0° |
| C1 | C2 | O4 | H10 | 57.2° | 60.0° |
| O1 | C1 | C2 | O4 | 58.0° | 60.1° |
| O1 | C1 | C2 | H2 | 61.4° | 60.0° |
| O1 | C1 | C7 | H6 | 62.4° | 59.9° |
| O1 | C1 | C7 | H7 | 56.6° | 60.1° |
| O4 | C2 | C1 | H1 | 61.7° | 59.9° |
| O4 | C2 | C4 | H3 | 66.1° | 60.0° |
| O2 | C5 | C4 | H3 | 173.2° | 180.0° |
| O2 | C5 | C6 | H5 | 55.0° | 60.1° |
| H1 | C1 | C2 | H2 | 178.9° | 180.0° |
| H1 | C1 | C7 | H6 | 57.0° | 180.0° |
| H1 | C1 | C7 | H7 | 176.1° | 60.0° |
| H1 | C1 | O1 | H8 | 61.1° | 60.0° |
| H2 | C2 | C4 | H3 | 174.5° | 180.0° |
| H2 | C2 | O4 | H10 | 61.5° | 60.0° |
| H3 | C4 | C5 | H4 | 61.4° | 60.0° |
| H3 | C4 | O3 | H9 | 61.1° | 60.0° |
| H4 | C5 | C6 | H5 | 63.2° | 60.0° |
| H4 | C5 | O2 | H12 | 62.3° | 60.0° |
| H5 | C6 | C7 | H6 | 62.7° | 60.0° |
| H5 | C6 | C7 | H7 | 56.3° | 60.0° |
| H5 | C6 | O5 | H11 | 61.3° | 60.1° |
