ZH1
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C2 | C1 | doub | 1.38Å | 1.37Å | Aromatic |
| C1 | C5 | sing | 1.38Å | 1.37Å | Aromatic |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C2 | C10 | sing | 1.40Å | 1.37Å | Aromatic |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C6 | C3 | doub | 1.38Å | 1.38Å | Aromatic |
| C3 | C9 | sing | 1.39Å | 1.38Å | Aromatic |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C9 | C4 | doub | 1.39Å | 1.38Å | Aromatic |
| C7 | C4 | sing | 1.38Å | 1.38Å | Aromatic |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C5 | C11 | doub | 1.40Å | 1.37Å | Aromatic |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C6 | C12 | sing | 1.39Å | 1.38Å | Aromatic |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C12 | C7 | doub | 1.39Å | 1.37Å | Aromatic |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| C10 | C8 | doub | 1.39Å | 1.39Å | Aromatic |
| C8 | C11 | sing | 1.39Å | 1.37Å | Aromatic |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| C9 | C10 | sing | 1.48Å | 1.45Å | Aromatic |
| C11 | C13 | sing | 1.48Å | 1.44Å | |
| O27 | C12 | sing | 1.36Å | 1.36Å | |
| O28 | C13 | sing | 1.35Å | 1.36Å | |
| C13 | O21 | doub | 1.21Å | 1.21Å | |
| O23 | C14 | sing | 1.43Å | 1.44Å | |
| C14 | C16 | sing | 1.53Å | 1.53Å | |
| C14 | C15 | sing | 1.53Å | 1.52Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| O24 | C15 | sing | 1.43Å | 1.43Å | |
| C15 | C17 | sing | 1.53Å | 1.52Å | |
| C15 | H15 | sing | 1.09Å | 1.10Å | |
| C16 | C18 | sing | 1.53Å | 1.49Å | |
| C16 | O25 | sing | 1.43Å | 1.40Å | |
| C16 | H16 | sing | 1.09Å | 1.10Å | |
| C17 | O22 | sing | 1.43Å | 1.41Å | |
| C17 | C20 | sing | 1.53Å | 1.53Å | |
| C17 | H17 | sing | 1.09Å | 1.10Å | |
| O27 | C18 | sing | 1.43Å | 1.41Å | |
| C18 | O22 | sing | 1.43Å | 1.38Å | |
| C18 | H18 | sing | 1.09Å | 1.10Å | |
| O28 | C19 | sing | 1.45Å | 1.44Å | |
| C19 | H19 | sing | 1.09Å | 1.10Å | |
| C19 | H19A | sing | 1.09Å | 1.10Å | |
| C19 | H19B | sing | 1.09Å | 1.10Å | |
| C20 | O26 | sing | 1.43Å | 1.43Å | |
| C20 | H20 | sing | 1.09Å | 1.10Å | |
| C20 | H20A | sing | 1.09Å | 1.10Å | |
| O23 | HO23 | sing | 0.97Å | 0.95Å | |
| O24 | HO24 | sing | 0.97Å | 0.95Å | |
| O25 | HO25 | sing | 0.97Å | 0.95Å | |
| O26 | HO26 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C5 | 120.3° | 120.3° |
| C2 | C1 | H1 | 119.9° | 119.8° |
| C1 | C2 | C10 | 120.7° | 120.2° |
| C1 | C2 | H2 | 119.7° | 120.0° |
| C5 | C1 | H1 | 119.9° | 119.9° |
| C1 | C5 | C11 | 120.0° | 120.1° |
| C1 | C5 | H5 | 120.0° | 120.0° |
| C10 | C2 | H2 | 119.6° | 119.9° |
| C2 | C10 | C8 | 118.9° | 119.9° |
| C2 | C10 | C9 | 121.0° | 120.1° |
| C6 | C3 | C9 | 119.8° | 120.0° |
| C6 | C3 | H3 | 120.1° | 120.0° |
| C3 | C6 | C12 | 120.3° | 120.0° |
| C3 | C6 | H6 | 119.8° | 120.0° |
| C9 | C3 | H3 | 120.1° | 120.1° |
| C3 | C9 | C4 | 119.5° | 119.9° |
| C3 | C9 | C10 | 120.3° | 120.1° |
| C9 | C4 | C7 | 120.4° | 119.9° |
| C9 | C4 | H4 | 119.8° | 120.1° |
| C4 | C9 | C10 | 120.1° | 120.1° |
| C7 | C4 | H4 | 119.8° | 120.0° |
| C4 | C7 | C12 | 120.1° | 120.1° |
| C4 | C7 | H7 | 119.9° | 120.0° |
| C11 | C5 | H5 | 120.0° | 120.0° |
| C5 | C11 | C8 | 119.8° | 119.8° |
| C5 | C11 | C13 | 121.0° | 120.1° |
| C12 | C6 | H6 | 119.8° | 119.9° |
| C6 | C12 | C7 | 119.7° | 120.1° |
| C6 | C12 | O27 | 119.7° | 120.0° |
| C12 | C7 | H7 | 119.9° | 119.9° |
| C7 | C12 | O27 | 120.5° | 119.9° |
| C10 | C8 | C11 | 120.3° | 119.7° |
| C10 | C8 | H8 | 119.9° | 120.2° |
| C8 | C10 | C9 | 120.0° | 120.0° |
| C11 | C8 | H8 | 119.8° | 120.1° |
| C8 | C11 | C13 | 119.2° | 120.1° |
| C11 | C13 | O28 | 112.8° | 120.0° |
| C11 | C13 | O21 | 123.5° | 120.0° |
| C12 | O27 | C18 | 120.1° | 117.0° |
| O28 | C13 | O21 | 123.7° | 119.9° |
| C13 | O28 | C19 | 118.2° | 117.0° |
| O23 | C14 | C16 | 111.3° | 109.5° |
| O23 | C14 | C15 | 111.4° | 109.5° |
| O23 | C14 | H14 | 106.4° | 109.6° |
| C14 | O23 | HO23 | 109.5° | 114.0° |
| C16 | C14 | C15 | 108.0° | 109.0° |
| C16 | C14 | H14 | 110.0° | 109.6° |
| C14 | C16 | C18 | 111.1° | 109.2° |
| C14 | C16 | O25 | 111.9° | 109.5° |
| C14 | C16 | H16 | 104.9° | 109.5° |
| C15 | C14 | H14 | 109.7° | 109.6° |
| C14 | C15 | O24 | 110.0° | 109.5° |
| C14 | C15 | C17 | 107.5° | 109.2° |
| C14 | C15 | H15 | 111.1° | 109.5° |
| O24 | C15 | C17 | 111.2° | 109.5° |
| O24 | C15 | H15 | 107.4° | 109.6° |
| C15 | O24 | HO24 | 109.5° | 114.0° |
| C17 | C15 | H15 | 109.8° | 109.5° |
| C15 | C17 | O22 | 110.8° | 109.4° |
| C15 | C17 | C20 | 111.0° | 109.5° |
| C15 | C17 | H17 | 106.5° | 109.4° |
| C18 | C16 | O25 | 103.3° | 109.5° |
| C18 | C16 | H16 | 113.3° | 109.5° |
| C16 | C18 | O27 | 109.2° | 109.5° |
| C16 | C18 | O22 | 108.6° | 109.4° |
| C16 | C18 | H18 | 111.6° | 109.4° |
| O25 | C16 | H16 | 112.5° | 109.5° |
| C16 | O25 | HO25 | 109.5° | 114.0° |
| O22 | C17 | C20 | 106.2° | 109.5° |
| O22 | C17 | H17 | 111.3° | 109.5° |
| C17 | O22 | C18 | 113.1° | 114.1° |
| C20 | C17 | H17 | 111.1° | 109.5° |
| C17 | C20 | O26 | 108.2° | 109.4° |
| C17 | C20 | H20 | 109.9° | 109.5° |
| C17 | C20 | H20A | 109.9° | 109.5° |
| O27 | C18 | O22 | 113.2° | 109.5° |
| O27 | C18 | H18 | 106.9° | 109.5° |
| O22 | C18 | H18 | 107.5° | 109.5° |
| O28 | C19 | H19 | 109.5° | 109.5° |
| O28 | C19 | H19A | 109.5° | 109.5° |
| O28 | C19 | H19B | 109.5° | 109.5° |
| H19 | C19 | H19A | 109.5° | 109.5° |
| H19 | C19 | H19B | 109.5° | 109.4° |
| H19A | C19 | H19B | 109.5° | 109.5° |
| O26 | C20 | H20 | 109.9° | 109.5° |
| O26 | C20 | H20A | 109.9° | 109.4° |
| C20 | O26 | HO26 | 109.5° | 114.0° |
| H20 | C20 | H20A | 109.1° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C5 | H1 | 180.0° | 179.8° |
| C1 | C2 | C10 | H2 | 180.0° | 180.0° |
| C2 | C1 | C5 | C11 | 0.4° | 0.2° |
| C2 | C1 | C5 | H5 | 179.6° | 179.8° |
| C1 | C2 | C10 | C8 | 1.9° | 0.0° |
| C1 | C2 | C10 | C9 | 179.4° | 180.0° |
| C5 | C1 | C2 | C10 | 1.0° | 0.0° |
| C5 | C1 | C2 | H2 | 179.0° | 180.0° |
| C1 | C5 | C11 | H5 | 180.0° | 180.0° |
| C1 | C5 | C11 | C8 | 0.8° | 0.4° |
| C1 | C5 | C11 | C13 | 178.5° | 179.9° |
| H1 | C1 | C2 | C10 | 179.0° | 179.7° |
| H1 | C1 | C2 | H2 | 1.0° | 0.2° |
| H1 | C1 | C5 | C11 | 179.6° | 180.0° |
| H1 | C1 | C5 | H5 | 0.4° | 0.0° |
| C2 | C10 | C9 | C3 | 28.2° | 0.0° |
| C2 | C10 | C9 | C4 | 154.1° | 180.0° |
| C2 | C10 | C8 | C9 | 177.6° | 180.0° |
| C2 | C10 | C8 | C11 | 1.4° | 0.2° |
| C2 | C10 | C8 | H8 | 178.6° | 179.8° |
| H2 | C2 | C10 | C8 | 178.1° | 180.0° |
| H2 | C2 | C10 | C9 | 0.6° | 0.0° |
| C6 | C3 | C9 | H3 | 180.0° | 179.7° |
| C6 | C3 | C9 | C4 | 0.4° | 0.3° |
| C3 | C6 | C12 | H6 | 180.0° | 179.9° |
| C3 | C6 | C12 | C7 | 0.3° | 0.0° |
| C6 | C3 | C9 | C10 | 178.1° | 179.7° |
| C3 | C6 | C12 | O27 | 178.7° | 180.0° |
| C3 | C9 | C4 | C10 | 177.7° | 180.0° |
| C3 | C9 | C4 | C7 | 0.8° | 0.5° |
| C3 | C9 | C4 | H4 | 179.2° | 180.0° |
| C9 | C3 | C6 | C12 | 0.2° | 0.0° |
| C9 | C3 | C6 | H6 | 179.9° | 179.9° |
| C3 | C9 | C10 | C8 | 149.3° | 180.0° |
| H3 | C3 | C9 | C4 | 179.6° | 180.0° |
| H3 | C3 | C6 | C12 | 179.9° | 179.8° |
| H3 | C3 | C6 | H6 | 0.1° | 0.3° |
| H3 | C3 | C9 | C10 | 1.9° | 0.0° |
| C9 | C4 | C7 | H4 | 180.0° | 179.5° |
| C9 | C4 | C7 | C12 | 0.7° | 0.5° |
| C9 | C4 | C7 | H7 | 179.3° | 179.5° |
| C4 | C9 | C10 | C8 | 28.4° | 0.0° |
| C4 | C7 | C12 | C6 | 0.1° | 0.3° |
| C4 | C7 | C12 | H7 | 180.0° | 180.0° |
| C7 | C4 | C9 | C10 | 178.6° | 179.5° |
| C4 | C7 | C12 | O27 | 179.1° | 179.8° |
| H4 | C4 | C7 | C12 | 179.3° | 180.0° |
| H4 | C4 | C7 | H7 | 0.7° | 0.0° |
| H4 | C4 | C9 | C10 | 1.5° | 0.0° |
| C5 | C11 | C8 | C10 | 0.1° | 0.5° |
| C5 | C11 | C8 | C13 | 179.3° | 179.5° |
| C5 | C11 | C8 | H8 | 179.9° | 180.0° |
| C5 | C11 | C13 | O28 | 6.7° | 0.0° |
| C5 | C11 | C13 | O21 | 174.6° | 180.0° |
| H5 | C5 | C11 | C8 | 179.1° | 179.5° |
| H5 | C5 | C11 | C13 | 1.5° | 0.0° |
| C6 | C12 | C7 | O27 | 179.0° | 180.0° |
| C6 | C12 | C7 | H7 | 179.9° | 179.7° |
| C6 | C12 | O27 | C18 | 155.1° | 180.0° |
| H6 | C6 | C12 | C7 | 179.7° | 179.9° |
| H6 | C6 | C12 | O27 | 1.3° | 0.1° |
| C7 | C12 | O27 | C18 | 25.9° | 0.0° |
| H7 | C7 | C12 | O27 | 0.9° | 0.3° |
| C10 | C8 | C11 | H8 | 180.0° | 179.5° |
| C10 | C8 | C11 | C13 | 179.4° | 180.0° |
| C11 | C8 | C10 | C9 | 179.0° | 179.8° |
| C8 | C11 | C13 | O28 | 172.6° | 179.5° |
| C8 | C11 | C13 | O21 | 6.1° | 0.5° |
| H8 | C8 | C10 | C9 | 1.0° | 0.2° |
| H8 | C8 | C11 | C13 | 0.6° | 0.5° |
| C11 | C13 | O28 | O21 | 178.7° | 180.0° |
| C11 | C13 | O28 | C19 | 179.8° | 180.0° |
| C12 | O27 | C18 | C16 | 166.7° | 170.0° |
| C12 | O27 | C18 | O22 | 45.7° | 70.0° |
| C12 | O27 | C18 | H18 | 72.4° | 50.1° |
| C13 | O28 | C19 | H19 | 180.0° | 60.0° |
| C13 | O28 | C19 | H19A | 60.0° | 60.0° |
| C13 | O28 | C19 | H19B | 60.0° | 180.0° |
| O21 | C13 | O28 | C19 | 1.1° | 0.0° |
| O23 | C14 | C16 | C15 | 122.6° | 119.8° |
| O23 | C14 | C16 | H14 | 117.7° | 120.2° |
| O23 | C14 | C15 | H14 | 117.6° | 120.3° |
| O23 | C14 | C15 | O24 | 61.6° | 63.3° |
| O23 | C14 | C15 | C17 | 177.3° | 176.8° |
| O23 | C14 | C15 | H15 | 57.1° | 56.9° |
| O23 | C14 | C16 | C18 | 179.3° | 176.9° |
| O23 | C14 | C16 | O25 | 64.4° | 56.9° |
| O23 | C14 | C16 | H16 | 57.9° | 63.3° |
| C16 | C14 | C15 | H14 | 119.9° | 119.9° |
| C16 | C14 | C15 | O24 | 175.9° | 176.9° |
| C16 | C14 | C15 | C17 | 54.8° | 57.0° |
| C16 | C14 | C15 | H15 | 65.4° | 62.9° |
| C14 | C16 | C18 | O25 | 120.2° | 119.9° |
| C14 | C16 | C18 | H16 | 117.8° | 119.9° |
| C14 | C16 | O25 | H16 | 117.9° | 120.2° |
| C14 | C16 | C18 | O27 | 65.1° | 62.4° |
| C14 | C16 | C18 | O22 | 58.7° | 57.7° |
| C14 | C16 | C18 | H18 | 177.0° | 177.6° |
| C16 | C14 | O23 | HO23 | 180.0° | 60.0° |
| C14 | C16 | O25 | HO25 | 180.0° | 180.0° |
| C14 | C15 | O24 | C17 | 118.9° | 119.7° |
| C14 | C15 | O24 | H15 | 120.9° | 120.2° |
| C14 | C15 | C17 | H15 | 120.9° | 119.9° |
| C15 | C14 | C16 | C18 | 56.7° | 57.0° |
| C15 | C14 | C16 | O25 | 58.2° | 62.9° |
| C15 | C14 | C16 | H16 | 179.5° | 176.9° |
| C14 | C15 | C17 | O22 | 58.4° | 57.6° |
| C14 | C15 | C17 | C20 | 176.2° | 177.6° |
| C14 | C15 | C17 | H17 | 62.8° | 62.3° |
| C15 | C14 | O23 | HO23 | 59.4° | 179.5° |
| C14 | C15 | O24 | HO24 | 180.0° | 60.0° |
| H14 | C14 | C15 | O24 | 56.1° | 57.0° |
| H14 | C14 | C15 | C17 | 65.1° | 62.9° |
| H14 | C14 | C15 | H15 | 174.7° | 177.2° |
| H14 | C14 | C16 | C18 | 63.1° | 62.9° |
| H14 | C14 | C16 | O25 | 177.9° | 177.1° |
| H14 | C14 | C16 | H16 | 59.8° | 57.0° |
| H14 | C14 | O23 | HO23 | 60.2° | 60.2° |
| O24 | C15 | C17 | H15 | 118.7° | 120.2° |
| O24 | C15 | C17 | O22 | 178.7° | 177.5° |
| O24 | C15 | C17 | C20 | 63.5° | 62.5° |
| O24 | C15 | C17 | H17 | 57.6° | 57.6° |
| C15 | C17 | O22 | C20 | 120.7° | 120.0° |
| C15 | C17 | O22 | H17 | 118.3° | 119.9° |
| C15 | C17 | C20 | H17 | 118.3° | 120.0° |
| C15 | C17 | O22 | C18 | 63.7° | 61.2° |
| C15 | C17 | C20 | O26 | 53.6° | 175.1° |
| C15 | C17 | C20 | H20 | 173.6° | 55.0° |
| C15 | C17 | C20 | H20A | 66.3° | 65.0° |
| C17 | C15 | O24 | HO24 | 61.1° | 179.7° |
| H15 | C15 | C17 | O22 | 62.6° | 62.3° |
| H15 | C15 | C17 | C20 | 55.2° | 57.7° |
| H15 | C15 | C17 | H17 | 176.3° | 177.7° |
| H15 | C15 | O24 | HO24 | 59.0° | 60.2° |
| C18 | C16 | O25 | H16 | 122.6° | 120.1° |
| C16 | C18 | O22 | C17 | 62.1° | 61.2° |
| C16 | C18 | O27 | O22 | 121.1° | 119.9° |
| C16 | C18 | O27 | H18 | 120.8° | 120.0° |
| C16 | C18 | O22 | H18 | 120.9° | 119.9° |
| C18 | C16 | O25 | HO25 | 60.4° | 60.3° |
| O25 | C16 | C18 | O27 | 174.7° | 177.7° |
| O25 | C16 | C18 | O22 | 61.5° | 62.3° |
| O25 | C16 | C18 | H18 | 56.8° | 57.7° |
| H16 | C16 | C18 | O27 | 52.7° | 57.6° |
| H16 | C16 | C18 | O22 | 176.5° | 177.6° |
| H16 | C16 | C18 | H18 | 65.2° | 62.5° |
| H16 | C16 | O25 | HO25 | 62.2° | 59.8° |
| O22 | C17 | C20 | H17 | 121.1° | 120.1° |
| C17 | O22 | C18 | O27 | 59.2° | 58.8° |
| C17 | O22 | C18 | H18 | 177.0° | 178.9° |
| O22 | C17 | C20 | O26 | 66.9° | 65.0° |
| O22 | C17 | C20 | H20 | 53.1° | 174.9° |
| O22 | C17 | C20 | H20A | 173.1° | 54.9° |
| C20 | C17 | O22 | C18 | 175.7° | 178.8° |
| C17 | C20 | O26 | H20 | 120.0° | 120.1° |
| C17 | C20 | O26 | H20A | 120.0° | 120.0° |
| C17 | C20 | H20 | H20A | 120.6° | 120.0° |
| C17 | C20 | O26 | HO26 | 180.0° | 180.0° |
| H17 | C17 | O22 | C18 | 54.7° | 58.7° |
| H17 | C17 | C20 | O26 | 172.0° | 55.1° |
| H17 | C17 | C20 | H20 | 68.0° | 65.0° |
| H17 | C17 | C20 | H20A | 52.0° | 175.0° |
| O27 | C18 | O22 | H18 | 117.8° | 120.1° |
| O28 | C19 | H19 | H19A | 120.0° | 120.0° |
| O28 | C19 | H19 | H19B | 120.0° | 120.0° |
| O28 | C19 | H19A | H19B | 120.0° | 120.0° |
| H19 | C19 | H19A | H19B | 120.0° | 119.9° |
| O26 | C20 | H20 | H20A | 120.5° | 120.0° |
| H20 | C20 | O26 | HO26 | 60.0° | 59.9° |
| H20A | C20 | O26 | HO26 | 60.0° | 60.1° |
