HT3
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | O1 | sing | 1.43Å | 1.42Å | |
| C1 | C2 | sing | 1.53Å | 1.52Å | |
| C2 | O2 | sing | 1.43Å | 1.45Å | |
| C2 | C3 | sing | 1.53Å | 1.54Å | |
| C3 | O3 | sing | 1.43Å | 1.47Å | |
| C3 | C4 | sing | 1.53Å | 1.55Å | |
| C4 | C5 | sing | 1.53Å | 1.55Å | |
| C5 | C6 | sing | 1.53Å | 1.54Å | |
| C6 | C7 | sing | 1.53Å | 1.53Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H1A | sing | 1.09Å | 1.10Å | |
| O1 | HO1 | sing | 0.97Å | 0.95Å | |
| C2 | H2 | 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 | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C4 | H4A | sing | 1.09Å | 1.10Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C5 | H5A | sing | 1.09Å | 1.10Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C6 | H6A | sing | 1.09Å | 1.10Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C7 | H7A | sing | 1.09Å | 1.10Å | |
| C7 | H7B | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C1 | C2 | 106.8° | 109.4° |
| O1 | C1 | H1 | 110.4° | 109.5° |
| O1 | C1 | H1A | 110.4° | 109.4° |
| C1 | O1 | HO1 | 109.5° | 114.0° |
| C1 | C2 | O2 | 104.4° | 109.4° |
| C1 | C2 | C3 | 113.5° | 109.4° |
| C2 | C1 | H1 | 110.4° | 109.5° |
| C2 | C1 | H1A | 110.4° | 109.5° |
| C1 | C2 | H2 | 112.7° | 109.5° |
| O2 | C2 | C3 | 115.9° | 109.5° |
| O2 | C2 | H2 | 110.2° | 109.5° |
| C2 | O2 | HO2 | 109.5° | 114.0° |
| C2 | C3 | O3 | 114.7° | 109.5° |
| C2 | C3 | C4 | 109.3° | 109.4° |
| C3 | C2 | H2 | 100.4° | 109.5° |
| C2 | C3 | H3 | 106.4° | 109.5° |
| O3 | C3 | C4 | 110.9° | 109.4° |
| O3 | C3 | H3 | 104.8° | 109.5° |
| C3 | O3 | HO3 | 109.5° | 114.0° |
| C3 | C4 | C5 | 112.3° | 109.5° |
| C4 | C3 | H3 | 110.6° | 109.5° |
| C3 | C4 | H4 | 108.5° | 109.5° |
| C3 | C4 | H4A | 108.6° | 109.4° |
| C4 | C5 | C6 | 116.5° | 109.5° |
| C5 | C4 | H4 | 108.5° | 109.5° |
| C5 | C4 | H4A | 108.5° | 109.4° |
| C4 | C5 | H5 | 107.2° | 109.5° |
| C4 | C5 | H5A | 107.2° | 109.4° |
| C5 | C6 | C7 | 113.4° | 109.5° |
| C6 | C5 | H5 | 107.2° | 109.5° |
| C6 | C5 | H5A | 107.2° | 109.5° |
| C5 | C6 | H6 | 108.2° | 109.5° |
| C5 | C6 | H6A | 108.2° | 109.5° |
| C7 | C6 | H6 | 108.2° | 109.4° |
| C7 | C6 | H6A | 108.2° | 109.4° |
| C6 | C7 | H7 | 109.5° | 109.5° |
| C6 | C7 | H7A | 109.5° | 109.5° |
| C6 | C7 | H7B | 109.4° | 109.5° |
| H1 | C1 | H1A | 108.5° | 109.5° |
| H4 | C4 | H4A | 110.4° | 109.5° |
| H5 | C5 | H5A | 111.6° | 109.5° |
| H6 | C6 | H6A | 110.7° | 109.5° |
| H7 | C7 | H7A | 109.5° | 109.5° |
| H7 | C7 | H7B | 109.5° | 109.5° |
| H7A | C7 | H7B | 109.4° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C1 | C2 | H1 | 120.0° | 120.0° |
| O1 | C1 | C2 | H1A | 120.0° | 119.9° |
| O1 | C1 | C2 | O2 | 24.9° | 65.0° |
| O1 | C1 | C2 | C3 | 152.0° | 175.0° |
| O1 | C1 | H1 | H1A | 121.1° | 120.0° |
| O1 | C1 | C2 | H2 | 94.7° | 55.0° |
| C1 | C2 | O2 | C3 | 125.6° | 119.9° |
| C1 | C2 | O2 | H2 | 121.3° | 120.0° |
| C1 | C2 | C3 | H2 | 120.6° | 120.0° |
| C1 | C2 | C3 | O3 | 39.3° | 60.1° |
| C1 | C2 | C3 | C4 | 164.6° | 180.0° |
| C2 | C1 | H1 | H1A | 121.1° | 120.0° |
| C2 | C1 | O1 | HO1 | 180.0° | 180.0° |
| C1 | C2 | O2 | HO2 | 180.0° | 60.0° |
| C1 | C2 | C3 | H3 | 76.0° | 60.0° |
| O2 | C2 | C3 | H2 | 118.7° | 120.1° |
| O2 | C2 | C3 | O3 | 160.1° | 180.0° |
| O2 | C2 | C3 | C4 | 74.6° | 60.1° |
| O2 | C2 | C1 | H1 | 95.1° | 55.0° |
| O2 | C2 | C1 | H1A | 144.9° | 175.0° |
| O2 | C2 | C3 | H3 | 44.8° | 60.0° |
| C2 | C3 | O3 | C4 | 124.4° | 119.9° |
| C2 | C3 | O3 | H3 | 116.3° | 120.0° |
| C2 | C3 | C4 | H3 | 116.9° | 120.1° |
| C2 | C3 | C4 | C5 | 161.6° | 175.0° |
| C3 | C2 | C1 | H1 | 32.0° | 65.0° |
| C3 | C2 | C1 | H1A | 88.0° | 55.1° |
| C3 | C2 | O2 | HO2 | 54.4° | 60.0° |
| C2 | C3 | O3 | HO3 | 180.0° | 60.0° |
| C2 | C3 | C4 | H4 | 41.6° | 65.0° |
| C2 | C3 | C4 | H4A | 78.4° | 55.1° |
| O3 | C3 | C4 | H3 | 115.7° | 120.0° |
| O3 | C3 | C4 | C5 | 34.2° | 65.1° |
| O3 | C3 | C2 | H2 | 81.2° | 59.9° |
| O3 | C3 | C4 | H4 | 85.8° | 55.0° |
| O3 | C3 | C4 | H4A | 154.2° | 175.0° |
| C3 | C4 | C5 | H4 | 120.0° | 120.0° |
| C3 | C4 | C5 | H4A | 120.0° | 119.9° |
| C3 | C4 | C5 | C6 | 151.9° | 180.0° |
| C4 | C3 | C2 | H2 | 44.0° | 60.0° |
| C4 | C3 | O3 | HO3 | 55.6° | 60.0° |
| C3 | C4 | H4 | H4A | 118.9° | 120.0° |
| C3 | C4 | C5 | H5 | 31.9° | 59.9° |
| C3 | C4 | C5 | H5A | 88.1° | 60.0° |
| C4 | C5 | C6 | H5 | 120.0° | 120.0° |
| C4 | C5 | C6 | H5A | 120.0° | 120.0° |
| C4 | C5 | C6 | C7 | 171.7° | 180.0° |
| C5 | C4 | C3 | H3 | 81.5° | 54.9° |
| C5 | C4 | H4 | H4A | 118.8° | 120.0° |
| C4 | C5 | H5 | H5A | 117.1° | 119.9° |
| C4 | C5 | C6 | H6 | 68.2° | 60.0° |
| C4 | C5 | C6 | H6A | 51.7° | 60.0° |
| C5 | C6 | C7 | H6 | 120.0° | 120.0° |
| C5 | C6 | C7 | H6A | 120.0° | 120.0° |
| C6 | C5 | C4 | H4 | 88.1° | 60.0° |
| C6 | C5 | C4 | H4A | 31.9° | 60.0° |
| C6 | C5 | H5 | H5A | 117.1° | 120.0° |
| C5 | C6 | H6 | H6A | 118.4° | 120.1° |
| C5 | C6 | C7 | H7 | 180.0° | 60.0° |
| C5 | C6 | C7 | H7A | 60.0° | 60.0° |
| C5 | C6 | C7 | H7B | 60.0° | 180.0° |
| C7 | C6 | C5 | H5 | 51.7° | 60.0° |
| C7 | C6 | C5 | H5A | 68.2° | 60.0° |
| C7 | C6 | H6 | H6A | 118.4° | 119.9° |
| C6 | C7 | H7 | H7A | 120.0° | 120.0° |
| C6 | C7 | H7 | H7B | 120.0° | 120.0° |
| C6 | C7 | H7A | H7B | 120.0° | 120.0° |
| H1 | C1 | O1 | HO1 | 60.0° | 60.0° |
| H1 | C1 | C2 | H2 | 145.3° | 175.0° |
| H1A | C1 | O1 | HO1 | 60.0° | 60.0° |
| H1A | C1 | C2 | H2 | 25.3° | 64.9° |
| H2 | C2 | O2 | HO2 | 58.7° | 180.0° |
| H2 | C2 | C3 | H3 | 163.5° | 180.0° |
| H3 | C3 | O3 | HO3 | 63.7° | 180.0° |
| H3 | C3 | C4 | H4 | 158.5° | 175.0° |
| H3 | C3 | C4 | H4A | 38.5° | 65.0° |
| H4 | C4 | C5 | H5 | 151.8° | 180.0° |
| H4 | C4 | C5 | H5A | 31.9° | 60.0° |
| H4A | C4 | C5 | H5 | 88.1° | 60.0° |
| H4A | C4 | C5 | H5A | 151.9° | 180.0° |
| H5 | C5 | C6 | H6 | 171.7° | 180.0° |
| H5 | C5 | C6 | H6A | 68.3° | 60.0° |
| H5A | C5 | C6 | H6 | 51.8° | 60.0° |
| H5A | C5 | C6 | H6A | 171.7° | 180.0° |
| H6 | C6 | C7 | H7 | 60.0° | 180.0° |
| H6 | C6 | C7 | H7A | 180.0° | 60.0° |
| H6 | C6 | C7 | H7B | 60.0° | 59.9° |
| H6A | C6 | C7 | H7 | 60.0° | 60.0° |
| H6A | C6 | C7 | H7A | 60.1° | 180.0° |
| H6A | C6 | C7 | H7B | 180.0° | 60.0° |
| H7 | C7 | H7A | H7B | 120.0° | 120.0° |
