HNW
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O6 | C6 | sing | 1.43Å | 1.40Å | |
| C6 | C5 | sing | 1.53Å | 1.46Å | |
| C5 | O5 | sing | 1.43Å | 1.47Å | |
| C5 | C4 | sing | 1.53Å | 1.54Å | |
| O5 | C1 | sing | 1.43Å | 1.40Å | |
| C4 | O4 | sing | 1.43Å | 1.43Å | |
| C4 | C3 | sing | 1.53Å | 1.42Å | |
| C3 | O3 | sing | 1.43Å | 1.45Å | |
| C3 | C2 | sing | 1.53Å | 1.48Å | |
| C2 | O2 | sing | 1.43Å | 1.36Å | |
| C2 | C1 | sing | 1.53Å | 1.54Å | |
| O7 | C7 | sing | 1.43Å | 1.39Å | |
| C7 | C8 | sing | 1.47Å | 1.53Å | |
| C8 | C9 | trip | 1.17Å | 1.21Å | |
| C9 | C10 | sing | 1.43Å | 1.46Å | |
| C10 | C15 | sing | 1.40Å | 1.37Å | Aromatic |
| C10 | C11 | doub | 1.40Å | 1.35Å | Aromatic |
| C15 | C14 | doub | 1.38Å | 1.41Å | Aromatic |
| C14 | C13 | sing | 1.39Å | 1.34Å | Aromatic |
| C13 | O1 | sing | 1.36Å | 1.39Å | |
| C13 | C12 | doub | 1.39Å | 1.38Å | Aromatic |
| O1 | C1 | sing | 1.43Å | 1.38Å | |
| C12 | C11 | sing | 1.38Å | 1.40Å | Aromatic |
| O6 | HO6 | sing | 0.97Å | 0.95Å | |
| C6 | H61 | sing | 1.09Å | 1.10Å | |
| C6 | H62 | sing | 1.09Å | 1.10Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| O4 | HO4 | sing | 0.97Å | 0.95Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| O3 | HO3 | sing | 0.97Å | 0.95Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| O2 | HO2 | sing | 0.97Å | 0.95Å | |
| O7 | HD | sing | 0.97Å | 0.95Å | |
| C7 | H71C | sing | 1.09Å | 1.10Å | |
| C7 | H72C | sing | 1.09Å | 1.10Å | |
| C15 | H15 | sing | 1.08Å | 1.08Å | |
| C11 | H11 | sing | 1.08Å | 1.08Å | |
| C14 | H14 | sing | 1.08Å | 1.08Å | |
| C12 | H12 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O6 | C6 | C5 | 115.5° | 109.4° |
| C6 | O6 | HO6 | 109.5° | 114.0° |
| O6 | C6 | H61 | 108.0° | 109.4° |
| O6 | C6 | H62 | 107.9° | 109.5° |
| C6 | C5 | O5 | 108.3° | 109.5° |
| C6 | C5 | C4 | 113.2° | 109.5° |
| C5 | C6 | H61 | 107.9° | 109.5° |
| C5 | C6 | H62 | 108.0° | 109.5° |
| C6 | C5 | H5 | 108.5° | 109.5° |
| O5 | C5 | C4 | 111.0° | 109.4° |
| C5 | O5 | C1 | 114.5° | 114.1° |
| O5 | C5 | H5 | 108.3° | 109.5° |
| C5 | C4 | O4 | 106.7° | 109.5° |
| C5 | C4 | C3 | 110.9° | 109.2° |
| C4 | C5 | H5 | 107.5° | 109.5° |
| C5 | C4 | H4 | 108.3° | 109.5° |
| O5 | C1 | C2 | 108.8° | 109.4° |
| O5 | C1 | O1 | 113.2° | 109.4° |
| O5 | C1 | H1 | 110.6° | 109.4° |
| O4 | C4 | C3 | 111.2° | 109.6° |
| O4 | C4 | H4 | 109.7° | 109.5° |
| C4 | O4 | HO4 | 109.5° | 114.0° |
| C4 | C3 | O3 | 111.7° | 109.5° |
| C4 | C3 | C2 | 112.7° | 109.1° |
| C3 | C4 | H4 | 109.9° | 109.6° |
| C4 | C3 | H3 | 108.3° | 109.5° |
| O3 | C3 | C2 | 108.4° | 109.5° |
| O3 | C3 | H3 | 108.0° | 109.6° |
| C3 | O3 | HO3 | 109.5° | 114.0° |
| C3 | C2 | O2 | 109.9° | 109.5° |
| C3 | C2 | C1 | 110.5° | 109.2° |
| C2 | C3 | H3 | 107.5° | 109.6° |
| C3 | C2 | H2 | 108.5° | 109.5° |
| O2 | C2 | C1 | 110.1° | 109.5° |
| O2 | C2 | H2 | 110.1° | 109.6° |
| C2 | O2 | HO2 | 109.5° | 114.0° |
| C2 | C1 | O1 | 104.5° | 109.5° |
| C2 | C1 | H1 | 108.5° | 109.5° |
| C1 | C2 | H2 | 107.7° | 109.6° |
| O7 | C7 | C8 | 115.5° | 109.4° |
| C7 | O7 | HD | 109.5° | 114.0° |
| O7 | C7 | H71C | 107.9° | 109.5° |
| O7 | C7 | H72C | 108.0° | 109.5° |
| C7 | C8 | C9 | 175.7° | 180.0° |
| C8 | C7 | H71C | 108.0° | 109.5° |
| C8 | C7 | H72C | 107.9° | 109.5° |
| C8 | C9 | C10 | 178.4° | 180.0° |
| C9 | C10 | C15 | 119.3° | 120.1° |
| C9 | C10 | C11 | 119.5° | 120.1° |
| C15 | C10 | C11 | 121.2° | 119.9° |
| C10 | C15 | C14 | 118.0° | 119.9° |
| C10 | C15 | H15 | 121.0° | 120.1° |
| C10 | C11 | C12 | 120.5° | 119.9° |
| C10 | C11 | H11 | 119.7° | 120.1° |
| C15 | C14 | C13 | 120.8° | 120.1° |
| C14 | C15 | H15 | 121.0° | 120.0° |
| C15 | C14 | H14 | 119.5° | 120.0° |
| C14 | C13 | O1 | 116.1° | 119.9° |
| C14 | C13 | C12 | 120.8° | 120.2° |
| C13 | C14 | H14 | 119.6° | 119.9° |
| O1 | C13 | C12 | 123.0° | 119.9° |
| C13 | O1 | C1 | 119.5° | 117.0° |
| C13 | C12 | C11 | 118.6° | 120.1° |
| C13 | C12 | H12 | 120.7° | 120.0° |
| O1 | C1 | H1 | 110.8° | 109.5° |
| C12 | C11 | H11 | 119.8° | 120.0° |
| C11 | C12 | H12 | 120.7° | 120.0° |
| H61 | C6 | H62 | 109.5° | 109.5° |
| H71C | C7 | H72C | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O6 | C6 | C5 | H61 | 120.9° | 119.9° |
| O6 | C6 | C5 | H62 | 120.9° | 120.0° |
| O6 | C6 | C5 | O5 | 61.4° | 65.0° |
| O6 | C6 | C5 | C4 | 62.1° | 175.1° |
| O6 | C6 | H61 | H62 | 117.3° | 120.0° |
| O6 | C6 | C5 | H5 | 178.7° | 55.0° |
| C6 | C5 | O5 | C4 | 124.8° | 120.0° |
| C6 | C5 | O5 | H5 | 117.4° | 120.1° |
| C6 | C5 | C4 | H5 | 119.8° | 120.1° |
| C6 | C5 | O5 | C1 | 179.2° | 178.9° |
| C6 | C5 | C4 | O4 | 66.1° | 62.5° |
| C6 | C5 | C4 | C3 | 172.6° | 177.6° |
| C5 | C6 | O6 | HO6 | 180.0° | 179.9° |
| C5 | C6 | H61 | H62 | 117.3° | 120.1° |
| C6 | C5 | C4 | H4 | 51.9° | 57.6° |
| O5 | C5 | C4 | H5 | 118.3° | 120.0° |
| O5 | C5 | C4 | O4 | 171.9° | 177.5° |
| O5 | C5 | C4 | C3 | 50.6° | 57.6° |
| C5 | O5 | C1 | C2 | 56.7° | 61.2° |
| C5 | O5 | C1 | O1 | 59.1° | 58.9° |
| O5 | C5 | C6 | H61 | 177.7° | 55.0° |
| O5 | C5 | C6 | H62 | 59.5° | 175.0° |
| O5 | C5 | C4 | H4 | 70.1° | 62.4° |
| C5 | O5 | C1 | H1 | 175.8° | 178.9° |
| C4 | C5 | O5 | C1 | 54.4° | 61.1° |
| C5 | C4 | O4 | C3 | 121.1° | 119.7° |
| C5 | C4 | O4 | H4 | 117.1° | 120.1° |
| C5 | C4 | C3 | H4 | 119.7° | 119.9° |
| C5 | C4 | C3 | O3 | 176.1° | 176.8° |
| C5 | C4 | C3 | C2 | 53.6° | 57.0° |
| C4 | C5 | C6 | H61 | 58.8° | 65.0° |
| C4 | C5 | C6 | H62 | 177.0° | 55.1° |
| C5 | C4 | O4 | HO4 | 180.0° | 180.0° |
| C5 | C4 | C3 | H3 | 65.1° | 63.0° |
| O5 | C1 | C2 | C3 | 56.5° | 57.6° |
| O5 | C1 | C2 | O2 | 65.1° | 62.3° |
| O5 | C1 | C2 | O1 | 121.3° | 120.0° |
| O5 | C1 | C2 | H1 | 120.4° | 120.0° |
| O5 | C1 | O1 | C13 | 60.4° | 70.0° |
| O5 | C1 | O1 | H1 | 125.0° | 120.0° |
| C1 | O5 | C5 | H5 | 63.3° | 58.8° |
| O5 | C1 | C2 | H2 | 174.8° | 177.5° |
| O4 | C4 | C3 | H4 | 121.7° | 120.2° |
| O4 | C4 | C3 | O3 | 65.3° | 63.2° |
| O4 | C4 | C3 | C2 | 172.2° | 176.9° |
| O4 | C4 | C5 | H5 | 53.6° | 57.6° |
| O4 | C4 | C3 | H3 | 53.5° | 56.9° |
| C4 | C3 | O3 | C2 | 124.8° | 119.6° |
| C4 | C3 | O3 | H3 | 119.0° | 120.2° |
| C4 | C3 | C2 | H3 | 119.2° | 119.9° |
| C4 | C3 | C2 | O2 | 64.8° | 62.9° |
| C4 | C3 | C2 | C1 | 56.9° | 57.0° |
| C3 | C4 | C5 | H5 | 67.7° | 62.4° |
| C3 | C4 | O4 | HO4 | 58.9° | 60.3° |
| C4 | C3 | O3 | HO3 | 180.0° | 180.0° |
| C4 | C3 | C2 | H2 | 174.7° | 176.9° |
| O3 | C3 | C2 | H3 | 116.5° | 120.2° |
| O3 | C3 | C2 | O2 | 59.4° | 56.9° |
| O3 | C3 | C2 | C1 | 178.8° | 176.9° |
| O3 | C3 | C4 | H4 | 56.4° | 56.9° |
| O3 | C3 | C2 | H2 | 61.0° | 63.2° |
| C3 | C2 | O2 | C1 | 122.0° | 119.7° |
| C3 | C2 | O2 | H2 | 119.4° | 120.1° |
| C3 | C2 | C1 | H2 | 118.3° | 119.9° |
| C3 | C2 | C1 | O1 | 64.8° | 62.4° |
| C2 | C3 | C4 | H4 | 66.1° | 62.9° |
| C3 | C2 | C1 | H1 | 176.9° | 177.6° |
| C2 | C3 | O3 | HO3 | 55.2° | 60.4° |
| C3 | C2 | O2 | HO2 | 180.0° | 180.0° |
| O2 | C2 | C1 | H2 | 120.1° | 120.2° |
| O2 | C2 | C1 | O1 | 173.6° | 177.7° |
| O2 | C2 | C1 | H1 | 55.3° | 57.7° |
| O2 | C2 | C3 | H3 | 175.9° | 177.2° |
| C2 | C1 | O1 | C13 | 178.7° | 170.0° |
| C2 | C1 | O1 | H1 | 116.8° | 120.1° |
| C1 | C2 | C3 | H3 | 62.3° | 62.9° |
| C1 | C2 | O2 | HO2 | 58.0° | 60.3° |
| O7 | C7 | C8 | H71C | 120.9° | 120.0° |
| O7 | C7 | C8 | H72C | 120.9° | 120.0° |
| O7 | C7 | C8 | C9 | 169.2° | 149.7° |
| O7 | C7 | H71C | H72C | 117.3° | 120.0° |
| C7 | C8 | C9 | C10 | 177.9° | 36.2° |
| C8 | C7 | O7 | HD | 180.0° | 180.0° |
| C8 | C7 | H71C | H72C | 117.3° | 120.1° |
| C8 | C9 | C10 | C15 | 36.5° | 66.5° |
| C8 | C9 | C10 | C11 | 145.1° | 113.2° |
| C9 | C8 | C7 | H71C | 69.9° | 90.3° |
| C9 | C8 | C7 | H72C | 48.3° | 29.7° |
| C9 | C10 | C15 | C11 | 178.4° | 179.7° |
| C9 | C10 | C15 | C14 | 179.7° | 180.0° |
| C9 | C10 | C11 | C12 | 179.5° | 179.7° |
| C9 | C10 | C15 | H15 | 0.3° | 0.0° |
| C9 | C10 | C11 | H11 | 0.5° | 0.1° |
| C10 | C15 | C14 | H15 | 180.0° | 179.9° |
| C10 | C15 | C14 | C13 | 1.3° | 0.1° |
| C15 | C10 | C11 | C12 | 1.2° | 0.5° |
| C15 | C10 | C11 | H11 | 178.8° | 179.8° |
| C10 | C15 | C14 | H14 | 178.7° | 180.0° |
| C11 | C10 | C15 | C14 | 1.3° | 0.2° |
| C10 | C11 | C12 | C13 | 1.0° | 0.6° |
| C10 | C11 | C12 | H11 | 180.0° | 179.7° |
| C11 | C10 | C15 | H15 | 178.7° | 179.7° |
| C10 | C11 | C12 | H12 | 179.0° | 179.7° |
| C15 | C14 | C13 | H14 | 180.0° | 179.9° |
| C15 | C14 | C13 | O1 | 179.7° | 179.9° |
| C15 | C14 | C13 | C12 | 1.2° | 0.0° |
| C14 | C13 | O1 | C12 | 179.0° | 180.0° |
| C14 | C13 | O1 | C1 | 169.5° | 180.0° |
| C14 | C13 | C12 | C11 | 1.1° | 0.3° |
| C13 | C14 | C15 | H15 | 178.7° | 180.0° |
| C14 | C13 | C12 | H12 | 179.0° | 180.0° |
| O1 | C13 | C12 | C11 | 180.0° | 179.7° |
| C13 | O1 | C1 | H1 | 64.6° | 50.0° |
| O1 | C13 | C14 | H14 | 0.3° | 0.0° |
| O1 | C13 | C12 | H12 | 0.0° | 0.0° |
| C12 | C13 | O1 | C1 | 11.5° | 0.1° |
| C13 | C12 | C11 | H12 | 180.0° | 179.7° |
| C13 | C12 | C11 | H11 | 179.0° | 179.8° |
| C12 | C13 | C14 | H14 | 178.8° | 180.0° |
| O1 | C1 | C2 | H2 | 53.6° | 57.5° |
| HO6 | O6 | C6 | H61 | 59.1° | 60.1° |
| HO6 | O6 | C6 | H62 | 59.1° | 59.9° |
| H61 | C6 | C5 | H5 | 60.4° | 175.0° |
| H62 | C6 | C5 | H5 | 57.8° | 65.0° |
| H5 | C5 | C4 | H4 | 171.6° | 177.6° |
| H4 | C4 | O4 | HO4 | 62.9° | 60.0° |
| H4 | C4 | C3 | H3 | 175.1° | 177.1° |
| H1 | C1 | C2 | H2 | 64.8° | 62.5° |
| H3 | C3 | O3 | HO3 | 61.0° | 59.8° |
| H3 | C3 | C2 | H2 | 55.5° | 57.0° |
| H2 | C2 | O2 | HO2 | 60.6° | 59.9° |
| HD | O7 | C7 | H71C | 59.2° | 60.1° |
| HD | O7 | C7 | H72C | 59.1° | 59.9° |
| H15 | C15 | C14 | H14 | 1.3° | 0.1° |
| H11 | C11 | C12 | H12 | 1.0° | 0.1° |
