FYZ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O2 | C2 | sing | 1.43Å | 1.44Å | |
| C2 | C3 | sing | 1.53Å | 1.51Å | |
| C2 | C1 | sing | 1.53Å | 1.52Å | |
| C3 | O3 | sing | 1.43Å | 1.45Å | |
| C3 | C4 | sing | 1.53Å | 1.52Å | |
| C4 | O4 | sing | 1.43Å | 1.43Å | |
| C4 | C5 | sing | 1.53Å | 1.55Å | |
| C5 | O5 | sing | 1.43Å | 1.44Å | |
| C5 | C6 | sing | 1.53Å | 1.52Å | |
| O5 | C1 | sing | 1.43Å | 1.43Å | |
| C6 | O6 | sing | 1.43Å | 1.44Å | |
| C1 | O1 | sing | 1.43Å | 1.43Å | |
| O1 | C7 | sing | 1.43Å | 1.40Å | |
| C7 | C8 | sing | 1.47Å | 1.47Å | |
| C8 | C9 | trip | 1.17Å | 1.18Å | |
| C9 | C10 | sing | 1.43Å | 1.28Å | |
| C10 | C11 | sing | 1.40Å | 1.39Å | Aromatic |
| C10 | C15 | doub | 1.40Å | 1.39Å | Aromatic |
| C11 | C12 | doub | 1.38Å | 1.39Å | Aromatic |
| C12 | C13 | sing | 1.39Å | 1.39Å | Aromatic |
| C13 | C14 | doub | 1.40Å | 1.39Å | Aromatic |
| C13 | C16 | sing | 1.48Å | 1.49Å | |
| C14 | C15 | sing | 1.38Å | 1.39Å | Aromatic |
| C16 | C21 | sing | 1.39Å | 1.39Å | Aromatic |
| C16 | C17 | doub | 1.39Å | 1.39Å | Aromatic |
| C21 | C20 | doub | 1.38Å | 1.39Å | Aromatic |
| C20 | C19 | sing | 1.38Å | 1.39Å | Aromatic |
| C19 | C18 | doub | 1.38Å | 1.39Å | Aromatic |
| C18 | C17 | sing | 1.38Å | 1.39Å | Aromatic |
| O2 | H2 | sing | 0.97Å | 0.95Å | |
| C2 | HA | sing | 1.09Å | 1.10Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| O3 | HB | sing | 0.97Å | 0.95Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| O4 | HC | sing | 0.97Å | 0.95Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C6 | H61C | sing | 1.09Å | 1.10Å | |
| C6 | H62C | sing | 1.09Å | 1.10Å | |
| O6 | H6 | sing | 0.97Å | 0.95Å | |
| C7 | H71C | sing | 1.09Å | 1.10Å | |
| C7 | H72C | sing | 1.09Å | 1.10Å | |
| C11 | H11 | sing | 1.08Å | 1.08Å | |
| C15 | H15 | sing | 1.08Å | 1.08Å | |
| C12 | H12 | sing | 1.08Å | 1.08Å | |
| C14 | H14 | sing | 1.08Å | 1.08Å | |
| C21 | H21 | sing | 1.08Å | 1.08Å | |
| C17 | H17 | sing | 1.08Å | 1.08Å | |
| C20 | H20 | sing | 1.08Å | 1.08Å | |
| C19 | H19 | sing | 1.08Å | 1.08Å | |
| C18 | H18 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O2 | C2 | C3 | 109.2° | 109.5° |
| O2 | C2 | C1 | 106.8° | 109.5° |
| C2 | O2 | H2 | 109.5° | 114.0° |
| O2 | C2 | HA | 110.2° | 109.5° |
| C3 | C2 | C1 | 112.3° | 109.2° |
| C2 | C3 | O3 | 111.6° | 109.6° |
| C2 | C3 | C4 | 110.2° | 109.1° |
| C3 | C2 | HA | 109.3° | 109.6° |
| C2 | C3 | H3 | 108.0° | 109.5° |
| C2 | C1 | O5 | 111.2° | 109.4° |
| C2 | C1 | O1 | 105.8° | 109.5° |
| C1 | C2 | HA | 109.1° | 109.6° |
| C2 | C1 | H1 | 108.7° | 109.5° |
| O3 | C3 | C4 | 110.2° | 109.6° |
| O3 | C3 | H3 | 108.8° | 109.5° |
| C3 | O3 | HB | 109.5° | 114.0° |
| C3 | C4 | O4 | 108.6° | 109.5° |
| C3 | C4 | C5 | 110.0° | 109.1° |
| C4 | C3 | H3 | 107.9° | 109.6° |
| C3 | C4 | H4 | 109.2° | 109.5° |
| O4 | C4 | C5 | 109.6° | 109.5° |
| O4 | C4 | H4 | 110.5° | 109.6° |
| C4 | O4 | HC | 109.5° | 114.0° |
| C4 | C5 | O5 | 110.2° | 109.4° |
| C4 | C5 | C6 | 112.4° | 109.4° |
| C5 | C4 | H4 | 108.9° | 109.6° |
| C4 | C5 | H5 | 107.7° | 109.5° |
| O5 | C5 | C6 | 109.2° | 109.5° |
| C5 | O5 | C1 | 115.5° | 114.1° |
| O5 | C5 | H5 | 109.1° | 109.5° |
| C5 | C6 | O6 | 109.8° | 109.4° |
| C6 | C5 | H5 | 108.1° | 109.5° |
| C5 | C6 | H61C | 109.4° | 109.5° |
| C5 | C6 | H62C | 109.4° | 109.5° |
| O5 | C1 | O1 | 111.2° | 109.5° |
| O5 | C1 | H1 | 109.9° | 109.5° |
| O6 | C6 | H61C | 109.4° | 109.5° |
| O6 | C6 | H62C | 109.4° | 109.4° |
| C6 | O6 | H6 | 109.5° | 114.0° |
| C1 | O1 | C7 | 112.6° | 114.0° |
| O1 | C1 | H1 | 109.9° | 109.5° |
| O1 | C7 | C8 | 110.3° | 109.4° |
| O1 | C7 | H71C | 109.2° | 109.5° |
| O1 | C7 | H72C | 109.3° | 109.5° |
| C7 | C8 | C9 | 179.9° | 180.0° |
| C8 | C7 | H71C | 109.3° | 109.4° |
| C8 | C7 | H72C | 109.2° | 109.5° |
| C8 | C9 | C10 | 179.9° | 180.0° |
| C9 | C10 | C11 | 120.0° | 120.0° |
| C9 | C10 | C15 | 120.0° | 120.1° |
| C11 | C10 | C15 | 120.0° | 120.0° |
| C10 | C11 | C12 | 120.0° | 119.9° |
| C10 | C11 | H11 | 120.0° | 120.0° |
| C10 | C15 | C14 | 120.0° | 120.0° |
| C10 | C15 | H15 | 120.0° | 120.0° |
| C11 | C12 | C13 | 120.0° | 120.1° |
| C12 | C11 | H11 | 120.0° | 120.0° |
| C11 | C12 | H12 | 120.0° | 120.0° |
| C12 | C13 | C14 | 120.0° | 120.0° |
| C12 | C13 | C16 | 120.0° | 120.0° |
| C13 | C12 | H12 | 120.0° | 120.0° |
| C14 | C13 | C16 | 120.0° | 120.0° |
| C13 | C14 | C15 | 120.0° | 120.0° |
| C13 | C14 | H14 | 120.0° | 119.9° |
| C13 | C16 | C21 | 120.0° | 120.1° |
| C13 | C16 | C17 | 120.0° | 120.1° |
| C14 | C15 | H15 | 120.0° | 120.0° |
| C15 | C14 | H14 | 120.0° | 120.1° |
| C21 | C16 | C17 | 120.0° | 119.7° |
| C16 | C21 | C20 | 120.0° | 119.9° |
| C16 | C21 | H21 | 120.0° | 120.0° |
| C16 | C17 | C18 | 120.0° | 119.9° |
| C16 | C17 | H17 | 120.0° | 120.1° |
| C21 | C20 | C19 | 120.0° | 120.1° |
| C20 | C21 | H21 | 120.0° | 120.1° |
| C21 | C20 | H20 | 120.0° | 120.0° |
| C20 | C19 | C18 | 120.0° | 120.3° |
| C19 | C20 | H20 | 120.0° | 119.9° |
| C20 | C19 | H19 | 120.0° | 119.9° |
| C19 | C18 | C17 | 120.0° | 120.1° |
| C18 | C19 | H19 | 120.0° | 119.8° |
| C19 | C18 | H18 | 120.0° | 120.0° |
| C18 | C17 | H17 | 120.0° | 120.0° |
| C17 | C18 | H18 | 120.0° | 119.9° |
| H61C | C6 | H62C | 109.4° | 109.5° |
| H71C | C7 | H72C | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O2 | C2 | C3 | C1 | 118.2° | 119.9° |
| O2 | C2 | C3 | HA | 120.6° | 120.1° |
| O2 | C2 | C1 | HA | 119.1° | 120.1° |
| O2 | C2 | C3 | O3 | 57.8° | 57.0° |
| O2 | C2 | C3 | C4 | 65.0° | 62.9° |
| O2 | C2 | C1 | O5 | 67.3° | 62.4° |
| O2 | C2 | C1 | O1 | 171.8° | 177.7° |
| O2 | C2 | C3 | H3 | 177.4° | 177.1° |
| O2 | C2 | C1 | H1 | 53.8° | 57.7° |
| C3 | C2 | C1 | HA | 121.3° | 120.0° |
| C2 | C3 | O3 | C4 | 122.8° | 119.6° |
| C2 | C3 | O3 | H3 | 119.1° | 120.1° |
| C2 | C3 | C4 | H3 | 117.8° | 119.9° |
| C2 | C3 | C4 | O4 | 174.3° | 176.9° |
| C2 | C3 | C4 | C5 | 54.2° | 57.0° |
| C3 | C2 | C1 | O5 | 52.3° | 57.6° |
| C3 | C2 | C1 | O1 | 68.6° | 62.4° |
| C3 | C2 | O2 | H2 | 180.0° | 180.0° |
| C3 | C2 | C1 | H1 | 173.4° | 177.6° |
| C2 | C3 | O3 | HB | 180.0° | 59.9° |
| C2 | C3 | C4 | H4 | 65.2° | 63.0° |
| C1 | C2 | C3 | O3 | 176.0° | 176.9° |
| C1 | C2 | C3 | C4 | 53.2° | 57.0° |
| C2 | C1 | O5 | C5 | 55.0° | 61.1° |
| C2 | C1 | O5 | O1 | 117.7° | 119.9° |
| C2 | C1 | O5 | H1 | 120.4° | 120.1° |
| C2 | C1 | O1 | H1 | 117.2° | 120.0° |
| C2 | C1 | O1 | C7 | 167.8° | 170.0° |
| C1 | C2 | O2 | H2 | 58.4° | 60.3° |
| C1 | C2 | C3 | H3 | 64.4° | 63.0° |
| O3 | C3 | C4 | H3 | 118.6° | 120.2° |
| O3 | C3 | C4 | O4 | 62.1° | 63.2° |
| O3 | C3 | C4 | C5 | 177.8° | 176.9° |
| O3 | C3 | C2 | HA | 62.9° | 63.1° |
| O3 | C3 | C4 | H4 | 58.4° | 56.9° |
| C3 | C4 | O4 | C5 | 120.2° | 119.6° |
| C3 | C4 | O4 | H4 | 119.8° | 120.1° |
| C3 | C4 | C5 | H4 | 119.6° | 119.9° |
| C3 | C4 | C5 | O5 | 55.1° | 57.6° |
| C3 | C4 | C5 | C6 | 177.2° | 177.6° |
| C4 | C3 | C2 | HA | 174.4° | 177.0° |
| C4 | C3 | O3 | HB | 57.2° | 179.5° |
| C3 | C4 | O4 | HC | 180.0° | 60.0° |
| C3 | C4 | C5 | H5 | 63.8° | 62.4° |
| O4 | C4 | C5 | H4 | 121.0° | 120.2° |
| O4 | C4 | C5 | O5 | 174.5° | 177.5° |
| O4 | C4 | C5 | C6 | 63.4° | 62.6° |
| O4 | C4 | C3 | H3 | 56.5° | 56.9° |
| O4 | C4 | C5 | H5 | 55.6° | 57.5° |
| C4 | C5 | O5 | C6 | 124.0° | 119.9° |
| C4 | C5 | O5 | H5 | 118.1° | 120.0° |
| C4 | C5 | C6 | H5 | 118.8° | 120.0° |
| C4 | C5 | O5 | C1 | 56.9° | 61.2° |
| C4 | C5 | C6 | O6 | 66.2° | 175.1° |
| C5 | C4 | C3 | H3 | 63.5° | 62.9° |
| C5 | C4 | O4 | HC | 59.8° | 179.7° |
| C4 | C5 | C6 | H61C | 173.8° | 55.0° |
| C4 | C5 | C6 | H62C | 53.9° | 65.0° |
| O5 | C5 | C6 | H5 | 118.6° | 120.1° |
| O5 | C5 | C6 | O6 | 56.5° | 65.0° |
| C5 | O5 | C1 | O1 | 62.6° | 58.8° |
| C5 | O5 | C1 | H1 | 175.5° | 178.8° |
| O5 | C5 | C4 | H4 | 64.5° | 62.3° |
| O5 | C5 | C6 | H61C | 63.5° | 174.9° |
| O5 | C5 | C6 | H62C | 176.6° | 54.9° |
| C6 | C5 | O5 | C1 | 179.2° | 178.9° |
| C5 | C6 | O6 | H61C | 120.1° | 120.0° |
| C5 | C6 | O6 | H62C | 120.1° | 120.0° |
| C6 | C5 | C4 | H4 | 57.6° | 57.7° |
| C5 | C6 | H61C | H62C | 119.8° | 120.1° |
| C5 | C6 | O6 | H6 | 180.0° | 180.0° |
| O5 | C1 | O1 | H1 | 122.0° | 120.0° |
| O5 | C1 | O1 | C7 | 71.3° | 70.1° |
| O5 | C1 | C2 | HA | 173.5° | 177.6° |
| C1 | O5 | C5 | H5 | 61.2° | 58.8° |
| O6 | C6 | C5 | H5 | 175.1° | 55.0° |
| O6 | C6 | H61C | H62C | 119.8° | 119.9° |
| C1 | O1 | C7 | C8 | 144.4° | 180.0° |
| O1 | C1 | C2 | HA | 52.7° | 57.6° |
| C1 | O1 | C7 | H71C | 24.2° | 60.1° |
| C1 | O1 | C7 | H72C | 95.5° | 60.0° |
| O1 | C7 | C8 | H71C | 120.1° | 119.9° |
| O1 | C7 | C8 | H72C | 120.1° | 120.0° |
| O1 | C7 | C8 | C9 | 151.8° | 136.0° |
| C7 | O1 | C1 | H1 | 50.6° | 50.0° |
| O1 | C7 | H71C | H72C | 119.6° | 120.1° |
| C7 | C8 | C9 | C10 | 170.8° | 158.2° |
| C8 | C7 | H71C | H72C | 119.6° | 120.0° |
| C8 | C9 | C10 | C11 | 110.4° | 114.2° |
| C8 | C9 | C10 | C15 | 69.6° | 66.1° |
| C9 | C8 | C7 | H71C | 88.1° | 104.1° |
| C9 | C8 | C7 | H72C | 31.6° | 16.0° |
| C9 | C10 | C11 | C15 | 180.0° | 179.7° |
| C9 | C10 | C11 | C12 | 180.0° | 180.0° |
| C9 | C10 | C15 | C14 | 179.9° | 179.7° |
| C9 | C10 | C11 | H11 | 0.0° | 0.0° |
| C9 | C10 | C15 | H15 | 0.0° | 0.0° |
| C10 | C11 | C12 | H11 | 180.0° | 180.0° |
| C10 | C11 | C12 | C13 | 0.0° | 0.0° |
| C11 | C10 | C15 | C14 | 0.0° | 0.6° |
| C11 | C10 | C15 | H15 | 180.0° | 179.7° |
| C10 | C11 | C12 | H12 | 180.0° | 180.0° |
| C15 | C10 | C11 | C12 | 0.0° | 0.3° |
| C10 | C15 | C14 | C13 | 0.0° | 0.6° |
| C10 | C15 | C14 | H15 | 180.0° | 179.7° |
| C15 | C10 | C11 | H11 | 180.0° | 179.7° |
| C10 | C15 | C14 | H14 | 179.9° | 179.7° |
| C11 | C12 | C13 | H12 | 180.0° | 180.0° |
| C11 | C12 | C13 | C14 | 0.0° | 0.0° |
| C11 | C12 | C13 | C16 | 180.0° | 180.0° |
| C12 | C13 | C14 | C16 | 179.9° | 180.0° |
| C12 | C13 | C14 | C15 | 0.0° | 0.3° |
| C12 | C13 | C16 | C21 | 9.5° | 180.0° |
| C12 | C13 | C16 | C17 | 170.4° | 0.3° |
| C13 | C12 | C11 | H11 | 180.0° | 180.0° |
| C12 | C13 | C14 | H14 | 180.0° | 180.0° |
| C13 | C14 | C15 | H14 | 180.0° | 179.7° |
| C14 | C13 | C16 | C21 | 170.4° | 0.1° |
| C14 | C13 | C16 | C17 | 9.7° | 179.7° |
| C13 | C14 | C15 | H15 | 180.0° | 179.7° |
| C14 | C13 | C12 | H12 | 180.0° | 180.0° |
| C16 | C13 | C14 | C15 | 179.9° | 179.7° |
| C13 | C16 | C21 | C17 | 179.9° | 179.8° |
| C13 | C16 | C21 | C20 | 180.0° | 180.0° |
| C13 | C16 | C17 | C18 | 180.0° | 179.7° |
| C16 | C13 | C12 | H12 | 0.0° | 0.0° |
| C16 | C13 | C14 | H14 | 0.1° | 0.0° |
| C13 | C16 | C21 | H21 | 0.0° | 0.0° |
| C13 | C16 | C17 | H17 | 0.0° | 0.1° |
| C16 | C21 | C20 | H21 | 180.0° | 179.9° |
| C16 | C21 | C20 | C19 | 0.1° | 0.0° |
| C21 | C16 | C17 | C18 | 0.1° | 0.5° |
| C21 | C16 | C17 | H17 | 179.9° | 179.8° |
| C16 | C21 | C20 | H20 | 179.9° | 180.0° |
| C17 | C16 | C21 | C20 | 0.1° | 0.2° |
| C16 | C17 | C18 | C19 | 0.0° | 0.6° |
| C16 | C17 | C18 | H17 | 180.0° | 179.6° |
| C17 | C16 | C21 | H21 | 179.9° | 179.7° |
| C16 | C17 | C18 | H18 | 180.0° | 179.7° |
| C21 | C20 | C19 | H20 | 180.0° | 180.0° |
| C21 | C20 | C19 | C18 | 0.1° | 0.0° |
| C21 | C20 | C19 | H19 | 180.0° | 180.0° |
| C20 | C19 | C18 | H19 | 180.0° | 180.0° |
| C20 | C19 | C18 | C17 | 0.0° | 0.3° |
| C19 | C20 | C21 | H21 | 179.9° | 180.0° |
| C20 | C19 | C18 | H18 | 180.0° | 180.0° |
| C19 | C18 | C17 | H18 | 180.0° | 179.7° |
| C19 | C18 | C17 | H17 | 179.9° | 179.8° |
| C18 | C19 | C20 | H20 | 179.9° | 180.0° |
| C17 | C18 | C19 | H19 | 180.0° | 179.7° |
| H2 | O2 | C2 | HA | 60.0° | 59.9° |
| HA | C2 | C3 | H3 | 56.7° | 57.0° |
| HA | C2 | C1 | H1 | 65.3° | 62.4° |
| H3 | C3 | O3 | HB | 60.9° | 60.2° |
| H3 | C3 | C4 | H4 | 177.1° | 177.1° |
| H4 | C4 | O4 | HC | 60.2° | 60.1° |
| H4 | C4 | C5 | H5 | 176.6° | 177.7° |
| H5 | C5 | C6 | H61C | 55.0° | 65.0° |
| H5 | C5 | C6 | H62C | 64.9° | 174.9° |
| H61C | C6 | O6 | H6 | 59.9° | 59.9° |
| H62C | C6 | O6 | H6 | 60.0° | 60.1° |
| H11 | C11 | C12 | H12 | 0.0° | 0.0° |
| H15 | C15 | C14 | H14 | 0.1° | 0.0° |
| H21 | C21 | C20 | H20 | 0.1° | 0.0° |
| H17 | C17 | C18 | H18 | 0.0° | 0.1° |
| H20 | C20 | C19 | H19 | 0.0° | 0.0° |
| H19 | C19 | C18 | H18 | 0.0° | 0.0° |
