5HD
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C5 | C1 | sing | 1.53Å | 1.54Å | |
| C1 | C2 | sing | 1.53Å | 1.53Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H1A | sing | 1.09Å | 1.10Å | |
| C2 | C3 | sing | 1.53Å | 1.52Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C2 | H2A | sing | 1.09Å | 1.10Å | |
| C3 | O4 | sing | 1.43Å | 1.44Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H3A | sing | 1.09Å | 1.10Å | |
| C13 | O14 | sing | 1.43Å | 1.43Å | |
| O14 | HO14 | sing | 0.97Å | 0.95Å | |
| C13 | C12 | sing | 1.53Å | 1.51Å | |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| C13 | H13A | sing | 1.09Å | 1.10Å | |
| C12 | C11 | sing | 1.53Å | 1.53Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| C12 | H12A | sing | 1.09Å | 1.10Å | |
| C11 | C10 | sing | 1.53Å | 1.53Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| C11 | H11A | sing | 1.09Å | 1.10Å | |
| C6 | C10 | sing | 1.53Å | 1.54Å | |
| C10 | H10 | sing | 1.09Å | 1.10Å | |
| C10 | H10A | sing | 1.09Å | 1.10Å | |
| C7 | C6 | sing | 1.53Å | 1.54Å | |
| C6 | C5 | sing | 1.53Å | 1.56Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C8 | C7 | sing | 1.53Å | 1.52Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C7 | H7A | sing | 1.09Å | 1.10Å | |
| O9 | C8 | sing | 1.43Å | 1.43Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C8 | H8A | sing | 1.09Å | 1.10Å | |
| O9 | HO9 | sing | 0.97Å | 0.95Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C5 | H5A | sing | 1.09Å | 1.10Å | |
| O4 | HO4 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C5 | C1 | C2 | 112.8° | 109.5° |
| C5 | C1 | H1 | 108.4° | 109.5° |
| C5 | C1 | H1A | 107.6° | 109.5° |
| C1 | C5 | C6 | 114.8° | 109.5° |
| C1 | C5 | H5 | 107.7° | 109.5° |
| C1 | C5 | H5A | 106.5° | 109.5° |
| C2 | C1 | H1 | 108.4° | 109.5° |
| C2 | C1 | H1A | 107.6° | 109.4° |
| C1 | C2 | C3 | 112.1° | 109.5° |
| C1 | C2 | H2 | 108.6° | 109.4° |
| C1 | C2 | H2A | 108.0° | 109.5° |
| H1 | C1 | H1A | 112.1° | 109.5° |
| C3 | C2 | H2 | 108.6° | 109.5° |
| C3 | C2 | H2A | 108.0° | 109.5° |
| C2 | C3 | O4 | 111.1° | 109.4° |
| C2 | C3 | H3 | 108.9° | 109.4° |
| C2 | C3 | H3A | 108.6° | 109.5° |
| H2 | C2 | H2A | 111.6° | 109.5° |
| O4 | C3 | H3 | 108.9° | 109.5° |
| O4 | C3 | H3A | 108.6° | 109.4° |
| C3 | O4 | HO4 | 109.5° | 114.0° |
| H3 | C3 | H3A | 110.7° | 109.5° |
| C13 | O14 | HO14 | 109.5° | 114.0° |
| O14 | C13 | C12 | 108.1° | 109.4° |
| O14 | C13 | H13 | 109.9° | 109.5° |
| O14 | C13 | H13A | 110.2° | 109.5° |
| C12 | C13 | H13 | 110.0° | 109.5° |
| C12 | C13 | H13A | 110.2° | 109.5° |
| C13 | C12 | C11 | 112.3° | 109.5° |
| C13 | C12 | H12 | 108.5° | 109.5° |
| C13 | C12 | H12A | 107.9° | 109.5° |
| H13 | C13 | H13A | 108.4° | 109.5° |
| C11 | C12 | H12 | 108.5° | 109.4° |
| C11 | C12 | H12A | 107.9° | 109.4° |
| C12 | C11 | C10 | 110.4° | 109.5° |
| C12 | C11 | H11 | 109.2° | 109.5° |
| C12 | C11 | H11A | 109.0° | 109.4° |
| H12 | C12 | H12A | 111.7° | 109.5° |
| C10 | C11 | H11 | 109.2° | 109.5° |
| C10 | C11 | H11A | 109.0° | 109.5° |
| C11 | C10 | C6 | 116.4° | 109.4° |
| C11 | C10 | H10 | 107.2° | 109.5° |
| C11 | C10 | H10A | 105.6° | 109.5° |
| H11 | C11 | H11A | 110.2° | 109.5° |
| C6 | C10 | H10 | 107.2° | 109.5° |
| C6 | C10 | H10A | 105.6° | 109.5° |
| C10 | C6 | C7 | 110.9° | 109.5° |
| C10 | C6 | C5 | 108.7° | 109.5° |
| C10 | C6 | H6 | 110.3° | 109.5° |
| H10 | C10 | H10A | 115.1° | 109.5° |
| C7 | C6 | C5 | 112.9° | 109.5° |
| C7 | C6 | H6 | 105.8° | 109.4° |
| C6 | C7 | C8 | 114.7° | 109.5° |
| C6 | C7 | H7 | 107.8° | 109.5° |
| C6 | C7 | H7A | 106.6° | 109.4° |
| C5 | C6 | H6 | 108.2° | 109.5° |
| C6 | C5 | H5 | 107.7° | 109.5° |
| C6 | C5 | H5A | 106.5° | 109.4° |
| C8 | C7 | H7 | 107.8° | 109.6° |
| C8 | C7 | H7A | 106.6° | 109.4° |
| C7 | C8 | O9 | 108.6° | 109.4° |
| C7 | C8 | H8 | 109.8° | 109.5° |
| C7 | C8 | H8A | 110.0° | 109.5° |
| H7 | C7 | H7A | 113.6° | 109.5° |
| O9 | C8 | H8 | 109.8° | 109.5° |
| O9 | C8 | H8A | 109.9° | 109.4° |
| C8 | O9 | HO9 | 109.5° | 114.0° |
| H8 | C8 | H8A | 108.8° | 109.5° |
| H5 | C5 | H5A | 113.7° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C5 | C1 | C2 | H1 | 120.0° | 120.0° |
| C5 | C1 | C2 | H1A | 118.5° | 120.0° |
| C5 | C1 | H1 | H1A | 118.6° | 120.0° |
| C5 | C1 | C2 | C3 | 82.3° | 180.0° |
| C5 | C1 | C2 | H2 | 37.7° | 60.0° |
| C5 | C1 | C2 | H2A | 158.8° | 60.0° |
| C1 | C5 | C6 | C10 | 51.2° | 65.7° |
| C1 | C5 | C6 | C7 | 174.7° | 174.3° |
| C1 | C5 | C6 | H5 | 120.0° | 120.0° |
| C1 | C5 | C6 | H5A | 117.6° | 120.0° |
| C1 | C5 | C6 | H6 | 68.5° | 54.3° |
| C1 | C5 | H5 | H5A | 117.8° | 120.0° |
| C2 | C1 | H1 | H1A | 118.6° | 119.9° |
| C1 | C2 | C3 | H2 | 120.0° | 119.9° |
| C1 | C2 | C3 | H2A | 118.9° | 120.0° |
| C1 | C2 | H2 | H2A | 118.9° | 120.0° |
| C1 | C2 | C3 | O4 | 154.8° | 180.0° |
| C1 | C2 | C3 | H3 | 85.3° | 60.0° |
| C1 | C2 | C3 | H3A | 35.4° | 60.0° |
| C2 | C1 | C5 | C6 | 151.8° | 174.8° |
| C2 | C1 | C5 | H5 | 88.2° | 65.2° |
| C2 | C1 | C5 | H5A | 34.2° | 54.9° |
| H1 | C1 | C2 | C3 | 157.7° | 60.0° |
| H1 | C1 | C2 | H2 | 82.3° | 60.0° |
| H1 | C1 | C2 | H2A | 38.8° | 180.0° |
| H1 | C1 | C5 | C6 | 88.2° | 54.8° |
| H1 | C1 | C5 | H5 | 31.8° | 174.8° |
| H1 | C1 | C5 | H5A | 154.2° | 65.1° |
| H1A | C1 | C2 | C3 | 36.2° | 60.0° |
| H1A | C1 | C2 | H2 | 156.2° | 180.0° |
| H1A | C1 | C2 | H2A | 82.6° | 60.0° |
| H1A | C1 | C5 | C6 | 33.3° | 65.2° |
| H1A | C1 | C5 | H5 | 153.3° | 54.8° |
| H1A | C1 | C5 | H5A | 84.4° | 174.8° |
| C3 | C2 | H2 | H2A | 118.9° | 120.1° |
| C2 | C3 | O4 | H3 | 120.0° | 120.0° |
| C2 | C3 | O4 | H3A | 119.4° | 120.0° |
| C2 | C3 | H3 | H3A | 119.4° | 120.0° |
| C2 | C3 | O4 | HO4 | 70.9° | 180.0° |
| H2 | C2 | C3 | O4 | 34.8° | 60.0° |
| H2 | C2 | C3 | H3 | 154.7° | 180.0° |
| H2 | C2 | C3 | H3A | 84.6° | 59.9° |
| H2A | C2 | C3 | O4 | 86.4° | 60.0° |
| H2A | C2 | C3 | H3 | 33.6° | 60.0° |
| H2A | C2 | C3 | H3A | 154.3° | 180.0° |
| O4 | C3 | H3 | H3A | 119.3° | 120.0° |
| H3 | C3 | O4 | HO4 | 169.2° | 60.0° |
| H3A | C3 | O4 | HO4 | 48.5° | 60.0° |
| O14 | C13 | C12 | H13 | 120.0° | 120.0° |
| O14 | C13 | C12 | H13A | 120.5° | 120.0° |
| O14 | C13 | H13 | H13A | 120.6° | 120.0° |
| O14 | C13 | C12 | C11 | 167.4° | 180.0° |
| O14 | C13 | C12 | H12 | 72.6° | 60.0° |
| O14 | C13 | C12 | H12A | 48.7° | 60.0° |
| HO14 | O14 | C13 | C12 | 50.6° | 180.0° |
| HO14 | O14 | C13 | H13 | 69.4° | 60.0° |
| HO14 | O14 | C13 | H13A | 171.1° | 60.0° |
| C12 | C13 | H13 | H13A | 120.6° | 120.0° |
| C13 | C12 | C11 | H12 | 120.0° | 120.0° |
| C13 | C12 | C11 | H12A | 118.8° | 120.0° |
| C13 | C12 | H12 | H12A | 118.8° | 120.1° |
| C13 | C12 | C11 | C10 | 161.7° | 180.0° |
| C13 | C12 | C11 | H11 | 78.4° | 60.0° |
| C13 | C12 | C11 | H11A | 42.0° | 60.0° |
| H13 | C13 | C12 | C11 | 47.4° | 60.0° |
| H13 | C13 | C12 | H12 | 167.4° | 179.9° |
| H13 | C13 | C12 | H12A | 71.4° | 60.0° |
| H13A | C13 | C12 | C11 | 72.0° | 60.0° |
| H13A | C13 | C12 | H12 | 48.0° | 59.9° |
| H13A | C13 | C12 | H12A | 169.2° | 180.0° |
| C11 | C12 | H12 | H12A | 118.8° | 120.0° |
| C12 | C11 | C10 | H11 | 120.0° | 120.0° |
| C12 | C11 | C10 | H11A | 119.6° | 120.0° |
| C12 | C11 | H11 | H11A | 119.6° | 120.0° |
| C12 | C11 | C10 | C6 | 147.2° | 180.0° |
| C12 | C11 | C10 | H10 | 27.2° | 60.0° |
| C12 | C11 | C10 | H10A | 96.0° | 60.0° |
| H12 | C12 | C11 | C10 | 41.7° | 60.0° |
| H12 | C12 | C11 | H11 | 161.7° | 180.0° |
| H12 | C12 | C11 | H11A | 78.0° | 60.0° |
| H12A | C12 | C11 | C10 | 79.6° | 60.0° |
| H12A | C12 | C11 | H11 | 40.4° | 60.0° |
| H12A | C12 | C11 | H11A | 160.8° | 180.0° |
| C10 | C11 | H11 | H11A | 119.7° | 120.0° |
| C11 | C10 | C6 | H10 | 120.0° | 120.0° |
| C11 | C10 | C6 | H10A | 116.8° | 120.0° |
| C11 | C10 | H10 | H10A | 117.2° | 120.0° |
| C11 | C10 | C6 | C7 | 46.7° | 65.0° |
| C11 | C10 | C6 | C5 | 171.4° | 175.0° |
| C11 | C10 | C6 | H6 | 70.2° | 55.0° |
| H11 | C11 | C10 | C6 | 92.8° | 60.0° |
| H11 | C11 | C10 | H10 | 147.2° | 180.0° |
| H11 | C11 | C10 | H10A | 24.0° | 60.0° |
| H11A | C11 | C10 | C6 | 27.6° | 60.0° |
| H11A | C11 | C10 | H10 | 92.4° | 60.0° |
| H11A | C11 | C10 | H10A | 144.4° | 180.0° |
| C6 | C10 | H10 | H10A | 117.2° | 120.0° |
| C10 | C6 | C7 | C5 | 122.3° | 120.0° |
| C10 | C6 | C7 | H6 | 119.6° | 120.0° |
| C10 | C6 | C5 | H6 | 119.7° | 120.0° |
| C10 | C6 | C7 | C8 | 156.1° | 174.4° |
| C10 | C6 | C7 | H7 | 83.9° | 54.3° |
| C10 | C6 | C7 | H7A | 38.4° | 65.7° |
| C10 | C6 | C5 | H5 | 68.8° | 54.4° |
| C10 | C6 | C5 | H5A | 168.9° | 174.4° |
| H10 | C10 | C6 | C7 | 73.3° | 55.0° |
| H10 | C10 | C6 | C5 | 51.4° | 65.0° |
| H10 | C10 | C6 | H6 | 169.8° | 175.0° |
| H10A | C10 | C6 | C7 | 163.5° | 175.1° |
| H10A | C10 | C6 | C5 | 71.8° | 55.0° |
| H10A | C10 | C6 | H6 | 46.6° | 65.0° |
| C7 | C6 | C5 | H6 | 116.8° | 120.0° |
| C6 | C7 | C8 | H7 | 120.0° | 120.0° |
| C6 | C7 | C8 | H7A | 117.7° | 119.9° |
| C6 | C7 | H7 | H7A | 117.8° | 119.9° |
| C6 | C7 | C8 | O9 | 169.5° | 174.8° |
| C6 | C7 | C8 | H8 | 49.5° | 65.2° |
| C6 | C7 | C8 | H8A | 70.2° | 54.9° |
| C7 | C6 | C5 | H5 | 54.7° | 65.7° |
| C7 | C6 | C5 | H5A | 67.6° | 54.3° |
| C5 | C6 | C7 | C8 | 33.9° | 65.6° |
| C5 | C6 | C7 | H7 | 153.9° | 174.3° |
| C5 | C6 | C7 | H7A | 83.8° | 54.4° |
| C6 | C5 | H5 | H5A | 117.8° | 120.0° |
| H6 | C6 | C7 | C8 | 84.3° | 54.4° |
| H6 | C6 | C7 | H7 | 35.7° | 65.7° |
| H6 | C6 | C7 | H7A | 158.0° | 174.4° |
| H6 | C6 | C5 | H5 | 171.5° | 174.3° |
| H6 | C6 | C5 | H5A | 49.1° | 65.7° |
| C8 | C7 | H7 | H7A | 117.9° | 120.0° |
| C7 | C8 | O9 | H8 | 120.0° | 120.1° |
| C7 | C8 | O9 | H8A | 120.4° | 119.9° |
| C7 | C8 | H8 | H8A | 120.4° | 120.0° |
| C7 | C8 | O9 | HO9 | 9.9° | 179.9° |
| H7 | C7 | C8 | O9 | 70.5° | 54.7° |
| H7 | C7 | C8 | H8 | 169.5° | 174.8° |
| H7 | C7 | C8 | H8A | 49.8° | 65.2° |
| H7A | C7 | C8 | O9 | 51.8° | 65.3° |
| H7A | C7 | C8 | H8 | 68.2° | 54.7° |
| H7A | C7 | C8 | H8A | 172.1° | 174.8° |
| O9 | C8 | H8 | H8A | 120.3° | 120.0° |
| H8 | C8 | O9 | HO9 | 129.9° | 60.0° |
| H8A | C8 | O9 | HO9 | 110.4° | 60.0° |
