HZI
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O3 | C3 | sing | 1.43Å | 1.41Å | |
| C4 | O4 | sing | 1.43Å | 1.35Å | |
| C4 | C3 | sing | 1.53Å | 1.44Å | |
| C4 | C5 | sing | 1.53Å | 1.59Å | |
| C3 | C2 | sing | 1.53Å | 1.50Å | |
| C6 | C5 | sing | 1.53Å | 1.60Å | |
| C6 | O6 | sing | 1.43Å | 1.41Å | |
| C2 | O2 | sing | 1.43Å | 1.40Å | |
| C2 | C1 | sing | 1.53Å | 1.62Å | |
| C5 | O5 | sing | 1.43Å | 1.50Å | |
| O5 | C1 | sing | 1.43Å | 1.39Å | |
| C1 | C12 | sing | 1.51Å | 1.58Å | |
| O14 | C13 | sing | 1.36Å | 1.24Å | |
| C12 | C13 | sing | 1.39Å | 1.42Å | Aromatic |
| C12 | C29 | doub | 1.38Å | 1.39Å | Aromatic |
| C13 | C15 | doub | 1.39Å | 1.33Å | Aromatic |
| C15 | C16 | sing | 1.39Å | 1.37Å | Aromatic |
| O30 | C29 | sing | 1.36Å | 1.44Å | |
| C29 | C28 | sing | 1.40Å | 1.52Å | Aromatic |
| C16 | C28 | doub | 1.41Å | 1.42Å | Aromatic |
| C16 | O17 | sing | 1.35Å | 1.40Å | |
| C28 | C26 | sing | 1.47Å | 1.54Å | |
| O17 | C18 | sing | 1.35Å | 1.44Å | |
| C26 | O27 | doub | 1.22Å | 1.20Å | |
| C26 | C25 | sing | 1.48Å | 1.58Å | |
| C18 | C25 | doub | 1.40Å | 1.35Å | Aromatic |
| C18 | C19 | sing | 1.39Å | 1.47Å | Aromatic |
| C25 | C24 | sing | 1.40Å | 1.47Å | Aromatic |
| C19 | C20 | doub | 1.38Å | 1.38Å | Aromatic |
| C24 | C22 | doub | 1.38Å | 1.40Å | Aromatic |
| C20 | C22 | sing | 1.40Å | 1.39Å | Aromatic |
| C20 | O21 | sing | 1.36Å | 1.41Å | |
| C22 | O23 | sing | 1.36Å | 1.40Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C5 | H4 | sing | 1.09Å | 1.10Å | |
| C6 | H61 | sing | 1.09Å | 1.10Å | |
| C6 | H62 | sing | 1.09Å | 1.10Å | |
| C4 | H6 | sing | 1.09Å | 1.10Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C15 | H8 | sing | 1.08Å | 1.08Å | |
| C19 | H9 | sing | 1.08Å | 1.08Å | |
| C24 | H10 | sing | 1.08Å | 1.08Å | |
| O6 | HO6 | sing | 0.97Å | 0.95Å | |
| O4 | HO4 | sing | 0.97Å | 0.95Å | |
| O3 | HO3 | sing | 0.97Å | 0.95Å | |
| O2 | HO2 | sing | 0.97Å | 0.95Å | |
| O21 | H16 | sing | 0.97Å | 0.95Å | |
| O23 | H17 | sing | 0.97Å | 0.95Å | |
| O30 | H18 | sing | 0.97Å | 0.95Å | |
| O14 | H11 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O3 | C3 | C4 | 104.1° | 109.6° |
| O3 | C3 | C2 | 108.6° | 109.5° |
| O3 | C3 | H3 | 111.5° | 109.6° |
| C3 | O3 | HO3 | 109.5° | 114.0° |
| O4 | C4 | C3 | 92.6° | 109.5° |
| O4 | C4 | C5 | 104.8° | 109.5° |
| O4 | C4 | H6 | 117.1° | 109.5° |
| C4 | O4 | HO4 | 109.5° | 114.0° |
| C3 | C4 | C5 | 112.5° | 109.2° |
| C4 | C3 | C2 | 111.3° | 109.0° |
| C3 | C4 | H6 | 115.2° | 109.6° |
| C4 | C3 | H3 | 111.0° | 109.6° |
| C4 | C5 | C6 | 116.2° | 109.5° |
| C4 | C5 | O5 | 116.5° | 109.4° |
| C4 | C5 | H4 | 103.3° | 109.5° |
| C5 | C4 | H6 | 112.8° | 109.6° |
| C3 | C2 | O2 | 100.0° | 109.6° |
| C3 | C2 | C1 | 103.4° | 109.2° |
| C2 | C3 | H3 | 110.2° | 109.5° |
| C3 | C2 | H2 | 112.2° | 109.5° |
| C5 | C6 | O6 | 107.4° | 109.5° |
| C6 | C5 | O5 | 111.5° | 109.5° |
| C6 | C5 | H4 | 103.2° | 109.5° |
| C5 | C6 | H61 | 110.0° | 109.5° |
| C5 | C6 | H62 | 110.0° | 109.5° |
| O6 | C6 | H61 | 110.0° | 109.5° |
| O6 | C6 | H62 | 110.0° | 109.5° |
| C6 | O6 | HO6 | 109.5° | 114.0° |
| O2 | C2 | C1 | 115.9° | 109.5° |
| O2 | C2 | H2 | 113.9° | 109.5° |
| C2 | O2 | HO2 | 109.5° | 114.0° |
| C2 | C1 | O5 | 111.0° | 109.5° |
| C2 | C1 | C12 | 116.9° | 109.5° |
| C2 | C1 | H1 | 97.8° | 109.5° |
| C1 | C2 | H2 | 110.5° | 109.5° |
| C5 | O5 | C1 | 105.6° | 114.1° |
| O5 | C5 | H4 | 104.0° | 109.5° |
| O5 | C1 | C12 | 125.8° | 109.5° |
| O5 | C1 | H1 | 99.1° | 109.5° |
| C1 | C12 | C13 | 123.0° | 120.0° |
| C1 | C12 | C29 | 121.3° | 120.0° |
| C12 | C1 | H1 | 98.0° | 109.4° |
| O14 | C13 | C12 | 114.1° | 119.6° |
| O14 | C13 | C15 | 120.5° | 119.6° |
| C13 | O14 | H11 | 109.5° | 114.0° |
| C13 | C12 | C29 | 115.1° | 120.0° |
| C12 | C13 | C15 | 125.4° | 120.8° |
| C12 | C29 | O30 | 117.0° | 120.2° |
| C12 | C29 | C28 | 122.4° | 119.5° |
| C13 | C15 | C16 | 120.2° | 120.2° |
| C13 | C15 | H8 | 119.9° | 119.9° |
| C15 | C16 | C28 | 123.0° | 119.0° |
| C15 | C16 | O17 | 116.5° | 119.9° |
| C16 | C15 | H8 | 119.9° | 119.9° |
| O30 | C29 | C28 | 120.6° | 120.2° |
| C29 | O30 | H18 | 109.5° | 114.0° |
| C29 | C28 | C16 | 113.8° | 120.5° |
| C29 | C28 | C26 | 129.7° | 121.0° |
| C28 | C16 | O17 | 120.5° | 121.1° |
| C16 | C28 | C26 | 116.5° | 118.5° |
| C16 | O17 | C18 | 126.2° | 121.8° |
| C28 | C26 | O27 | 118.8° | 122.0° |
| C28 | C26 | C25 | 118.3° | 115.9° |
| O17 | C18 | C25 | 118.9° | 121.1° |
| O17 | C18 | C19 | 119.7° | 119.9° |
| O27 | C26 | C25 | 122.9° | 122.1° |
| C26 | C25 | C18 | 119.0° | 118.4° |
| C26 | C25 | C24 | 123.5° | 120.9° |
| C25 | C18 | C19 | 121.3° | 119.0° |
| C18 | C25 | C24 | 117.4° | 120.7° |
| C18 | C19 | C20 | 120.8° | 120.2° |
| C18 | C19 | H9 | 119.6° | 119.9° |
| C25 | C24 | C22 | 120.4° | 119.6° |
| C25 | C24 | H10 | 119.8° | 120.3° |
| C19 | C20 | C22 | 118.5° | 120.6° |
| C19 | C20 | O21 | 120.2° | 119.7° |
| C20 | C19 | H9 | 119.6° | 119.9° |
| C24 | C22 | C20 | 121.6° | 119.9° |
| C24 | C22 | O23 | 117.3° | 120.1° |
| C22 | C24 | H10 | 119.8° | 120.1° |
| C22 | C20 | O21 | 121.3° | 119.7° |
| C20 | C22 | O23 | 121.1° | 120.0° |
| C20 | O21 | H16 | 109.5° | 114.0° |
| C22 | O23 | H17 | 109.5° | 114.0° |
| H61 | C6 | H62 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O3 | C3 | C4 | O4 | 86.9° | 63.3° |
| O3 | C3 | C4 | C2 | 116.8° | 119.9° |
| O3 | C3 | C4 | H3 | 120.1° | 120.3° |
| O3 | C3 | C4 | C5 | 165.9° | 176.9° |
| O3 | C3 | C2 | H3 | 122.4° | 120.3° |
| O3 | C3 | C2 | O2 | 64.8° | 63.2° |
| O3 | C3 | C2 | C1 | 175.4° | 176.8° |
| O3 | C3 | C4 | H6 | 34.9° | 56.8° |
| O3 | C3 | C2 | H2 | 56.3° | 56.9° |
| O4 | C4 | C3 | C5 | 107.2° | 119.9° |
| O4 | C4 | C3 | H6 | 121.7° | 120.1° |
| O4 | C4 | C5 | H6 | 128.4° | 120.1° |
| O4 | C4 | C3 | C2 | 156.3° | 176.9° |
| O4 | C4 | C5 | C6 | 84.5° | 62.5° |
| O4 | C4 | C5 | O5 | 141.0° | 177.5° |
| O4 | C4 | C5 | H4 | 27.7° | 57.5° |
| O4 | C4 | C3 | H3 | 33.2° | 57.1° |
| C3 | C4 | C5 | H6 | 132.3° | 120.0° |
| C4 | C3 | C2 | H3 | 123.6° | 119.8° |
| C3 | C4 | C5 | C6 | 176.3° | 177.6° |
| C4 | C3 | C2 | O2 | 178.9° | 176.9° |
| C4 | C3 | C2 | C1 | 61.3° | 56.9° |
| C3 | C4 | C5 | O5 | 41.8° | 57.7° |
| C3 | C4 | C5 | H4 | 71.6° | 62.4° |
| C4 | C3 | C2 | H2 | 57.8° | 63.0° |
| C3 | C4 | O4 | HO4 | 180.0° | 59.9° |
| C4 | C3 | O3 | HO3 | 180.0° | 60.0° |
| C5 | C4 | C3 | C2 | 49.1° | 57.0° |
| C4 | C5 | C6 | O5 | 136.7° | 119.9° |
| C4 | C5 | C6 | H4 | 112.2° | 120.1° |
| C4 | C5 | C6 | O6 | 160.6° | 175.1° |
| C4 | C5 | O5 | H4 | 112.9° | 120.0° |
| C4 | C5 | O5 | C1 | 49.2° | 61.2° |
| C4 | C5 | C6 | H61 | 79.7° | 55.1° |
| C4 | C5 | C6 | H62 | 40.9° | 64.9° |
| C5 | C4 | C3 | H3 | 74.0° | 62.8° |
| C5 | C4 | O4 | HO4 | 65.9° | 179.6° |
| C3 | C2 | O2 | C1 | 110.2° | 119.8° |
| C3 | C2 | O2 | H2 | 119.9° | 120.1° |
| C3 | C2 | C1 | H2 | 120.3° | 119.9° |
| C3 | C2 | C1 | O5 | 73.8° | 57.5° |
| C3 | C2 | C1 | C12 | 132.3° | 177.6° |
| C3 | C2 | C1 | H1 | 29.1° | 62.5° |
| C2 | C3 | C4 | H6 | 82.0° | 63.1° |
| C2 | C3 | O3 | HO3 | 61.3° | 179.6° |
| C3 | C2 | O2 | HO2 | 180.0° | 59.9° |
| C5 | C6 | O6 | H61 | 119.7° | 120.0° |
| C5 | C6 | O6 | H62 | 119.7° | 120.0° |
| C6 | C5 | O5 | H4 | 110.5° | 120.0° |
| C6 | C5 | O5 | C1 | 174.3° | 178.9° |
| C5 | C6 | H61 | H62 | 120.9° | 120.0° |
| C6 | C5 | C4 | H6 | 44.0° | 57.6° |
| C5 | C6 | O6 | HO6 | 180.0° | 179.9° |
| O6 | C6 | C5 | O5 | 23.9° | 65.0° |
| O6 | C6 | C5 | H4 | 87.1° | 55.0° |
| O6 | C6 | H61 | H62 | 120.9° | 120.0° |
| O2 | C2 | C1 | H2 | 131.5° | 120.1° |
| O2 | C2 | C1 | O5 | 178.0° | 177.5° |
| O2 | C2 | C1 | C12 | 24.1° | 62.4° |
| O2 | C2 | C1 | H1 | 79.1° | 57.5° |
| O2 | C2 | C3 | H3 | 57.6° | 57.0° |
| C2 | C1 | O5 | C5 | 65.1° | 61.1° |
| C2 | C1 | O5 | C12 | 151.0° | 120.1° |
| C2 | C1 | O5 | H1 | 102.1° | 120.0° |
| C2 | C1 | C12 | H1 | 103.1° | 120.0° |
| C2 | C1 | C12 | C13 | 25.9° | 75.0° |
| C2 | C1 | C12 | C29 | 145.2° | 104.7° |
| C1 | C2 | C3 | H3 | 62.2° | 62.9° |
| C1 | C2 | O2 | HO2 | 69.7° | 179.7° |
| C5 | O5 | C1 | C12 | 143.9° | 178.8° |
| C5 | O5 | C1 | H1 | 37.0° | 58.9° |
| O5 | C5 | C6 | H61 | 143.6° | 175.0° |
| O5 | C5 | C6 | H62 | 95.8° | 55.0° |
| O5 | C5 | C4 | H6 | 90.5° | 62.4° |
| O5 | C1 | C12 | H1 | 107.4° | 120.0° |
| O5 | C1 | C12 | C13 | 123.6° | 45.0° |
| O5 | C1 | C12 | C29 | 65.3° | 135.3° |
| C1 | O5 | C5 | H4 | 63.7° | 58.9° |
| O5 | C1 | C2 | H2 | 46.5° | 62.3° |
| C1 | C12 | C13 | O14 | 7.1° | 0.2° |
| C1 | C12 | C13 | C29 | 171.7° | 179.7° |
| C1 | C12 | C13 | C15 | 174.1° | 179.8° |
| C1 | C12 | C29 | O30 | 8.2° | 0.1° |
| C1 | C12 | C29 | C28 | 173.0° | 179.6° |
| C12 | C1 | C2 | H2 | 107.4° | 57.7° |
| O14 | C13 | C12 | C15 | 178.8° | 180.0° |
| O14 | C13 | C12 | C29 | 178.7° | 179.8° |
| O14 | C13 | C15 | C16 | 179.1° | 179.9° |
| O14 | C13 | C15 | H8 | 0.9° | 0.1° |
| C12 | C13 | C15 | C16 | 2.2° | 0.1° |
| C13 | C12 | C29 | O30 | 179.9° | 179.6° |
| C13 | C12 | C29 | C28 | 1.1° | 0.7° |
| C13 | C12 | C1 | H1 | 129.0° | 165.0° |
| C12 | C13 | C15 | H8 | 177.8° | 179.9° |
| C12 | C13 | O14 | H11 | 180.0° | 90.0° |
| C29 | C12 | C13 | C15 | 2.5° | 0.2° |
| C12 | C29 | O30 | C28 | 178.8° | 179.7° |
| C12 | C29 | C28 | C16 | 0.3° | 1.1° |
| C12 | C29 | C28 | C26 | 179.3° | 178.9° |
| C29 | C12 | C1 | H1 | 42.2° | 15.3° |
| C12 | C29 | O30 | H18 | 178.9° | 90.0° |
| C13 | C15 | C16 | H8 | 180.0° | 180.0° |
| C13 | C15 | C16 | C28 | 0.4° | 0.3° |
| C13 | C15 | C16 | O17 | 179.5° | 179.4° |
| C15 | C13 | O14 | H11 | 1.2° | 90.0° |
| C15 | C16 | C28 | C29 | 0.7° | 0.9° |
| C15 | C16 | C28 | O17 | 179.9° | 179.7° |
| C15 | C16 | C28 | C26 | 179.8° | 179.2° |
| C15 | C16 | O17 | C18 | 173.2° | 164.0° |
| O30 | C29 | C28 | C16 | 178.5° | 179.2° |
| O30 | C29 | C28 | C26 | 0.5° | 0.7° |
| C29 | C28 | C16 | C26 | 179.1° | 179.9° |
| C29 | C28 | C16 | O17 | 179.4° | 178.8° |
| C29 | C28 | C26 | O27 | 5.4° | 12.5° |
| C29 | C28 | C26 | C25 | 174.4° | 167.4° |
| C28 | C29 | O30 | H18 | 2.3° | 89.6° |
| C28 | C16 | O17 | C18 | 6.9° | 16.3° |
| C16 | C28 | C26 | O27 | 175.6° | 167.4° |
| C16 | C28 | C26 | C25 | 4.6° | 12.7° |
| C28 | C16 | C15 | H8 | 179.5° | 179.7° |
| O17 | C16 | C28 | C26 | 0.2° | 1.1° |
| C16 | O17 | C18 | C25 | 8.0° | 16.3° |
| C16 | O17 | C18 | C19 | 172.0° | 164.0° |
| O17 | C16 | C15 | H8 | 0.5° | 0.6° |
| C28 | C26 | O27 | C25 | 179.8° | 179.9° |
| C28 | C26 | C25 | C18 | 3.6° | 12.6° |
| C28 | C26 | C25 | C24 | 173.3° | 167.1° |
| O17 | C18 | C25 | C26 | 2.3° | 1.3° |
| O17 | C18 | C25 | C19 | 180.0° | 179.7° |
| O17 | C18 | C25 | C24 | 179.4° | 179.0° |
| O17 | C18 | C19 | C20 | 179.9° | 179.3° |
| O17 | C18 | C19 | H9 | 0.0° | 0.7° |
| O27 | C26 | C25 | C18 | 176.7° | 167.5° |
| O27 | C26 | C25 | C24 | 6.4° | 12.8° |
| C26 | C25 | C18 | C24 | 177.1° | 179.7° |
| C26 | C25 | C18 | C19 | 177.7° | 179.0° |
| C26 | C25 | C24 | C22 | 177.7° | 179.2° |
| C26 | C25 | C24 | H10 | 2.3° | 0.7° |
| C25 | C18 | C19 | C20 | 0.1° | 0.4° |
| C18 | C25 | C24 | C22 | 0.7° | 0.5° |
| C25 | C18 | C19 | H9 | 179.9° | 179.6° |
| C18 | C25 | C24 | H10 | 179.3° | 179.6° |
| C19 | C18 | C25 | C24 | 0.6° | 0.7° |
| C18 | C19 | C20 | H9 | 180.0° | 180.0° |
| C18 | C19 | C20 | C22 | 0.7° | 0.0° |
| C18 | C19 | C20 | O21 | 179.8° | 180.0° |
| C25 | C24 | C22 | H10 | 180.0° | 179.9° |
| C25 | C24 | C22 | C20 | 0.2° | 0.1° |
| C25 | C24 | C22 | O23 | 179.4° | 179.9° |
| C19 | C20 | C22 | C24 | 0.5° | 0.2° |
| C19 | C20 | C22 | O21 | 179.5° | 180.0° |
| C19 | C20 | C22 | O23 | 179.9° | 179.8° |
| C19 | C20 | O21 | H16 | 180.0° | 90.0° |
| C24 | C22 | C20 | O23 | 179.6° | 180.0° |
| C24 | C22 | C20 | O21 | 180.0° | 179.8° |
| C24 | C22 | O23 | H17 | 180.0° | 90.0° |
| C22 | C20 | C19 | H9 | 179.4° | 180.0° |
| C20 | C22 | C24 | H10 | 179.8° | 180.0° |
| C22 | C20 | O21 | H16 | 0.5° | 90.0° |
| C20 | C22 | O23 | H17 | 0.4° | 90.1° |
| O21 | C20 | C22 | O23 | 0.4° | 0.2° |
| O21 | C20 | C19 | H9 | 0.1° | 0.0° |
| O23 | C22 | C24 | H10 | 0.6° | 0.0° |
| H1 | C1 | C2 | H2 | 149.4° | 177.7° |
| H4 | C5 | C6 | H61 | 32.6° | 64.9° |
| H4 | C5 | C6 | H62 | 153.2° | 175.0° |
| H4 | C5 | C4 | H6 | 156.1° | 177.6° |
| H61 | C6 | O6 | HO6 | 60.3° | 60.0° |
| H62 | C6 | O6 | HO6 | 60.3° | 60.1° |
| H6 | C4 | C3 | H3 | 154.9° | 177.1° |
| H6 | C4 | O4 | HO4 | 59.8° | 60.2° |
| H3 | C3 | C2 | H2 | 178.6° | 177.2° |
| H3 | C3 | O3 | HO3 | 60.3° | 60.3° |
| H2 | C2 | O2 | HO2 | 60.2° | 60.2° |
