Z8O
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C7 | C8 | sing | 1.54Å | 1.53Å | |
| C7 | C5 | sing | 1.51Å | 1.51Å | |
| C6 | C5 | doub | 1.38Å | 1.39Å | Aromatic |
| C6 | C1 | sing | 1.38Å | 1.38Å | Aromatic |
| C8 | N9 | sing | 1.47Å | 1.48Å | |
| C5 | C4 | sing | 1.39Å | 1.39Å | Aromatic |
| C1 | C2 | doub | 1.38Å | 1.38Å | Aromatic |
| C4 | N9 | sing | 1.40Å | 1.40Å | |
| C4 | C3 | doub | 1.40Å | 1.39Å | Aromatic |
| N9 | C10 | sing | 1.35Å | 1.36Å | |
| C2 | C3 | sing | 1.38Å | 1.39Å | Aromatic |
| C10 | O11 | doub | 1.21Å | 1.22Å | |
| C10 | C12 | sing | 1.51Å | 1.52Å | |
| C12 | C13 | sing | 1.51Å | 1.51Å | |
| C14 | C15 | doub | 1.38Å | 1.38Å | Aromatic |
| C14 | C13 | sing | 1.38Å | 1.39Å | Aromatic |
| C15 | C16 | sing | 1.39Å | 1.39Å | Aromatic |
| C13 | C18 | doub | 1.38Å | 1.39Å | Aromatic |
| C16 | C17 | doub | 1.39Å | 1.39Å | Aromatic |
| C16 | C19 | sing | 1.48Å | 1.49Å | |
| C18 | C17 | sing | 1.38Å | 1.38Å | Aromatic |
| C19 | N29 | doub | 1.31Å | 1.31Å | |
| C19 | C20 | sing | 1.47Å | 1.46Å | |
| N29 | N28 | sing | 1.39Å | 1.39Å | |
| C21 | C20 | doub | 1.39Å | 1.39Å | Aromatic |
| C21 | C22 | sing | 1.38Å | 1.38Å | Aromatic |
| C20 | C25 | sing | 1.41Å | 1.41Å | Aromatic |
| N28 | C26 | sing | 1.35Å | 1.35Å | |
| C22 | C23 | doub | 1.39Å | 1.38Å | Aromatic |
| C25 | C26 | sing | 1.47Å | 1.48Å | |
| C25 | C24 | doub | 1.39Å | 1.39Å | Aromatic |
| C26 | O27 | doub | 1.22Å | 1.23Å | |
| C23 | C24 | sing | 1.38Å | 1.38Å | Aromatic |
| C6 | H1 | sing | 1.08Å | 1.08Å | |
| C7 | H2 | sing | 1.09Å | 1.10Å | |
| C7 | H3 | sing | 1.09Å | 1.10Å | |
| C8 | H4 | sing | 1.09Å | 1.10Å | |
| C8 | H5 | sing | 1.09Å | 1.10Å | |
| C15 | H6 | sing | 1.08Å | 1.08Å | |
| C17 | H7 | sing | 1.08Å | 1.08Å | |
| C21 | H8 | sing | 1.08Å | 1.08Å | |
| C22 | H9 | sing | 1.08Å | 1.08Å | |
| C24 | H10 | sing | 1.08Å | 1.08Å | |
| C1 | H11 | sing | 1.08Å | 1.08Å | |
| C2 | H12 | sing | 1.08Å | 1.08Å | |
| C3 | H13 | sing | 1.08Å | 1.08Å | |
| C12 | H14 | sing | 1.09Å | 1.10Å | |
| C12 | H15 | sing | 1.09Å | 1.10Å | |
| C14 | H16 | sing | 1.08Å | 1.08Å | |
| C18 | H17 | sing | 1.08Å | 1.08Å | |
| C23 | H18 | sing | 1.08Å | 1.08Å | |
| N28 | H19 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C8 | C7 | C5 | 103.4° | 104.6° |
| C7 | C8 | N9 | 105.0° | 105.2° |
| C8 | C7 | H2 | 111.0° | 110.5° |
| C8 | C7 | H3 | 111.0° | 110.4° |
| C7 | C8 | H4 | 110.6° | 110.2° |
| C7 | C8 | H5 | 110.6° | 110.3° |
| C7 | C5 | C6 | 130.4° | 131.0° |
| C7 | C5 | C4 | 110.2° | 108.5° |
| C5 | C7 | H2 | 111.0° | 110.4° |
| C5 | C7 | H3 | 111.0° | 110.4° |
| C5 | C6 | C1 | 119.9° | 120.1° |
| C6 | C5 | C4 | 119.4° | 120.5° |
| C5 | C6 | H1 | 120.1° | 119.9° |
| C6 | C1 | C2 | 120.4° | 119.9° |
| C1 | C6 | H1 | 120.1° | 119.9° |
| C6 | C1 | H11 | 119.8° | 120.1° |
| C8 | N9 | C4 | 109.5° | 110.0° |
| C8 | N9 | C10 | 121.9° | 125.0° |
| N9 | C8 | H4 | 110.6° | 110.3° |
| N9 | C8 | H5 | 110.6° | 110.3° |
| C5 | C4 | N9 | 109.8° | 111.7° |
| C5 | C4 | C3 | 121.0° | 119.0° |
| C1 | C2 | C3 | 120.6° | 120.2° |
| C2 | C1 | H11 | 119.8° | 120.1° |
| C1 | C2 | H12 | 119.7° | 120.0° |
| N9 | C4 | C3 | 129.2° | 129.3° |
| C4 | N9 | C10 | 128.6° | 125.0° |
| C4 | C3 | C2 | 118.7° | 120.3° |
| C4 | C3 | H13 | 120.6° | 119.9° |
| N9 | C10 | O11 | 122.1° | 120.0° |
| N9 | C10 | C12 | 115.4° | 120.0° |
| C3 | C2 | H12 | 119.7° | 119.9° |
| C2 | C3 | H13 | 120.6° | 119.8° |
| O11 | C10 | C12 | 122.4° | 120.0° |
| C10 | C12 | C13 | 114.3° | 109.5° |
| C10 | C12 | H14 | 108.3° | 109.4° |
| C10 | C12 | H15 | 108.2° | 109.5° |
| C12 | C13 | C14 | 119.7° | 119.8° |
| C12 | C13 | C18 | 121.9° | 119.9° |
| C13 | C12 | H14 | 108.2° | 109.5° |
| C13 | C12 | H15 | 108.2° | 109.5° |
| C15 | C14 | C13 | 121.3° | 120.1° |
| C14 | C15 | C16 | 120.4° | 119.9° |
| C14 | C15 | H6 | 119.8° | 120.1° |
| C15 | C14 | H16 | 119.4° | 120.0° |
| C14 | C13 | C18 | 118.2° | 120.3° |
| C13 | C14 | H16 | 119.3° | 119.9° |
| C15 | C16 | C17 | 118.5° | 119.7° |
| C15 | C16 | C19 | 120.4° | 120.1° |
| C16 | C15 | H6 | 119.8° | 120.0° |
| C13 | C18 | C17 | 120.8° | 120.1° |
| C13 | C18 | H17 | 119.6° | 119.9° |
| C17 | C16 | C19 | 121.0° | 120.1° |
| C16 | C17 | C18 | 120.6° | 119.9° |
| C16 | C17 | H7 | 119.7° | 120.1° |
| C16 | C19 | N29 | 115.3° | 120.1° |
| C16 | C19 | C20 | 122.3° | 120.1° |
| C18 | C17 | H7 | 119.7° | 120.0° |
| C17 | C18 | H17 | 119.6° | 120.0° |
| N29 | C19 | C20 | 122.4° | 119.8° |
| C19 | N29 | N28 | 118.4° | 122.5° |
| C19 | C20 | C21 | 122.5° | 121.8° |
| C19 | C20 | C25 | 118.0° | 118.5° |
| N29 | N28 | C26 | 126.5° | 121.8° |
| N29 | N28 | H19 | 116.7° | 119.1° |
| C20 | C21 | C22 | 120.0° | 119.6° |
| C21 | C20 | C25 | 119.5° | 119.7° |
| C20 | C21 | H8 | 120.0° | 120.2° |
| C21 | C22 | C23 | 120.5° | 120.7° |
| C22 | C21 | H8 | 120.0° | 120.2° |
| C21 | C22 | H9 | 119.8° | 119.7° |
| C20 | C25 | C26 | 119.5° | 118.3° |
| C20 | C25 | C24 | 119.7° | 119.8° |
| N28 | C26 | C25 | 115.3° | 118.9° |
| N28 | C26 | O27 | 120.6° | 120.6° |
| C26 | N28 | H19 | 116.7° | 119.1° |
| C22 | C23 | C24 | 120.5° | 120.6° |
| C23 | C22 | H9 | 119.7° | 119.6° |
| C22 | C23 | H18 | 119.7° | 119.7° |
| C26 | C25 | C24 | 120.8° | 121.9° |
| C25 | C26 | O27 | 124.1° | 120.5° |
| C25 | C24 | C23 | 119.8° | 119.6° |
| C25 | C24 | H10 | 120.1° | 120.2° |
| C23 | C24 | H10 | 120.1° | 120.2° |
| C24 | C23 | H18 | 119.8° | 119.7° |
| H2 | C7 | H3 | 109.4° | 110.5° |
| H4 | C8 | H5 | 109.5° | 110.3° |
| H14 | C12 | H15 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C8 | C7 | C5 | H2 | 119.0° | 118.8° |
| C8 | C7 | C5 | H3 | 119.0° | 118.7° |
| C8 | C7 | C5 | C6 | 170.9° | 179.9° |
| C7 | C8 | N9 | H4 | 119.3° | 118.9° |
| C7 | C8 | N9 | H5 | 119.3° | 119.0° |
| C8 | C7 | C5 | C4 | 8.8° | 0.0° |
| C7 | C8 | N9 | C4 | 14.6° | 0.1° |
| C7 | C8 | N9 | C10 | 166.7° | 179.8° |
| C8 | C7 | H2 | H3 | 122.8° | 122.4° |
| C7 | C8 | H4 | H5 | 122.1° | 122.1° |
| C7 | C5 | C6 | C4 | 179.7° | 180.0° |
| C7 | C5 | C6 | C1 | 179.6° | 180.0° |
| C5 | C7 | C8 | N9 | 13.7° | 0.0° |
| C7 | C5 | C4 | N9 | 0.0° | 0.0° |
| C7 | C5 | C4 | C3 | 179.7° | 179.7° |
| C7 | C5 | C6 | H1 | 0.4° | 0.1° |
| C5 | C7 | H2 | H3 | 122.8° | 122.4° |
| C5 | C7 | C8 | H4 | 133.0° | 119.0° |
| C5 | C7 | C8 | H5 | 105.6° | 119.0° |
| C5 | C6 | C1 | H1 | 180.0° | 180.0° |
| C5 | C6 | C1 | C2 | 0.0° | 0.0° |
| C6 | C5 | C4 | N9 | 179.8° | 180.0° |
| C6 | C5 | C4 | C3 | 0.1° | 0.3° |
| C6 | C5 | C7 | H2 | 51.8° | 61.2° |
| C6 | C5 | C7 | H3 | 70.1° | 61.2° |
| C5 | C6 | C1 | H11 | 180.0° | 180.0° |
| C1 | C6 | C5 | C4 | 0.1° | 0.0° |
| C6 | C1 | C2 | H11 | 180.0° | 180.0° |
| C6 | C1 | C2 | C3 | 0.2° | 0.2° |
| C6 | C1 | C2 | H12 | 179.9° | 180.0° |
| C8 | N9 | C4 | C5 | 9.4° | 0.0° |
| C8 | N9 | C4 | C10 | 178.5° | 179.8° |
| C8 | N9 | C4 | C3 | 170.2° | 179.7° |
| C8 | N9 | C10 | O11 | 157.3° | 0.3° |
| C8 | N9 | C10 | C12 | 22.8° | 179.7° |
| N9 | C8 | C7 | H2 | 132.7° | 118.7° |
| N9 | C8 | C7 | H3 | 105.3° | 118.8° |
| N9 | C8 | H4 | H5 | 122.1° | 122.2° |
| C5 | C4 | N9 | C3 | 179.7° | 179.7° |
| C5 | C4 | N9 | C10 | 172.0° | 179.8° |
| C5 | C4 | C3 | C2 | 0.1° | 0.6° |
| C4 | C5 | C6 | H1 | 179.9° | 180.0° |
| C4 | C5 | C7 | H2 | 127.9° | 118.8° |
| C4 | C5 | C7 | H3 | 110.2° | 118.7° |
| C5 | C4 | C3 | H13 | 179.9° | 179.7° |
| C1 | C2 | C3 | C4 | 0.2° | 0.5° |
| C1 | C2 | C3 | H12 | 180.0° | 179.8° |
| C2 | C1 | C6 | H1 | 180.0° | 179.9° |
| C1 | C2 | C3 | H13 | 179.8° | 179.7° |
| N9 | C4 | C3 | C2 | 179.5° | 179.8° |
| C4 | N9 | C10 | O11 | 21.1° | 180.0° |
| C4 | N9 | C10 | C12 | 158.9° | 0.1° |
| C4 | N9 | C8 | H4 | 133.9° | 118.9° |
| C4 | N9 | C8 | H5 | 104.7° | 118.9° |
| N9 | C4 | C3 | H13 | 0.5° | 0.1° |
| C3 | C4 | N9 | C10 | 8.3° | 0.1° |
| C4 | C3 | C2 | H13 | 180.0° | 179.7° |
| C4 | C3 | C2 | H12 | 179.8° | 179.7° |
| N9 | C10 | O11 | C12 | 179.9° | 180.0° |
| N9 | C10 | C12 | C13 | 175.2° | 180.0° |
| C10 | N9 | C8 | H4 | 47.4° | 60.9° |
| C10 | N9 | C8 | H5 | 74.0° | 61.3° |
| N9 | C10 | C12 | H14 | 64.1° | 60.1° |
| N9 | C10 | C12 | H15 | 54.5° | 60.0° |
| C3 | C2 | C1 | H11 | 179.8° | 179.7° |
| O11 | C10 | C12 | C13 | 4.9° | 0.0° |
| O11 | C10 | C12 | H14 | 115.8° | 120.0° |
| O11 | C10 | C12 | H15 | 125.6° | 120.0° |
| C10 | C12 | C13 | H14 | 120.7° | 119.9° |
| C10 | C12 | C13 | H15 | 120.7° | 120.0° |
| C10 | C12 | C13 | C14 | 118.4° | 89.7° |
| C10 | C12 | C13 | C18 | 65.8° | 89.9° |
| C10 | C12 | H14 | H15 | 117.8° | 120.0° |
| C12 | C13 | C14 | C15 | 174.2° | 179.7° |
| C12 | C13 | C14 | C18 | 175.9° | 179.7° |
| C12 | C13 | C18 | C17 | 174.1° | 180.0° |
| C13 | C12 | H14 | H15 | 117.8° | 120.0° |
| C12 | C13 | C14 | H16 | 5.8° | 0.3° |
| C12 | C13 | C18 | H17 | 5.9° | 0.1° |
| C15 | C14 | C13 | H16 | 180.0° | 180.0° |
| C14 | C15 | C16 | H6 | 180.0° | 179.8° |
| C15 | C14 | C13 | C18 | 1.7° | 0.0° |
| C14 | C15 | C16 | C17 | 1.7° | 0.2° |
| C14 | C15 | C16 | C19 | 175.0° | 179.8° |
| C13 | C14 | C15 | C16 | 0.0° | 0.0° |
| C14 | C13 | C18 | C17 | 1.7° | 0.3° |
| C13 | C14 | C15 | H6 | 180.0° | 179.8° |
| C14 | C13 | C12 | H14 | 120.8° | 150.3° |
| C14 | C13 | C12 | H15 | 2.3° | 30.3° |
| C14 | C13 | C18 | H17 | 178.3° | 179.7° |
| C15 | C16 | C17 | C19 | 176.7° | 180.0° |
| C15 | C16 | C17 | C18 | 1.7° | 0.5° |
| C15 | C16 | C19 | N29 | 55.7° | 40.6° |
| C15 | C16 | C19 | C20 | 126.4° | 139.3° |
| C15 | C16 | C17 | H7 | 178.2° | 180.0° |
| C16 | C15 | C14 | H16 | 180.0° | 180.0° |
| C13 | C18 | C17 | C16 | 0.0° | 0.6° |
| C13 | C18 | C17 | H17 | 180.0° | 179.9° |
| C13 | C18 | C17 | H7 | 180.0° | 180.0° |
| C18 | C13 | C12 | H14 | 54.9° | 30.0° |
| C18 | C13 | C12 | H15 | 173.5° | 150.1° |
| C18 | C13 | C14 | H16 | 178.3° | 179.9° |
| C16 | C17 | C18 | H7 | 180.0° | 179.5° |
| C17 | C16 | C19 | N29 | 120.9° | 139.4° |
| C17 | C16 | C19 | C20 | 57.0° | 40.7° |
| C17 | C16 | C15 | H6 | 178.3° | 180.0° |
| C16 | C17 | C18 | H17 | 180.0° | 179.5° |
| C19 | C16 | C17 | C18 | 175.0° | 179.5° |
| C16 | C19 | N29 | C20 | 177.9° | 180.0° |
| C16 | C19 | N29 | N28 | 177.3° | 180.0° |
| C16 | C19 | C20 | C21 | 2.8° | 0.2° |
| C16 | C19 | C20 | C25 | 177.0° | 180.0° |
| C19 | C16 | C15 | H6 | 5.0° | 0.0° |
| C19 | C16 | C17 | H7 | 5.1° | 0.0° |
| N29 | C19 | C20 | C21 | 179.4° | 179.7° |
| N29 | C19 | C20 | C25 | 0.7° | 0.0° |
| C19 | N29 | N28 | C26 | 0.1° | 0.3° |
| C19 | N29 | N28 | H19 | 179.9° | 179.8° |
| C20 | C19 | N29 | N28 | 0.6° | 0.0° |
| C19 | C20 | C21 | C25 | 179.9° | 179.8° |
| C19 | C20 | C21 | C22 | 179.7° | 179.8° |
| C19 | C20 | C25 | C26 | 0.3° | 0.2° |
| C19 | C20 | C25 | C24 | 179.7° | 179.8° |
| C19 | C20 | C21 | H8 | 0.3° | 0.2° |
| N29 | N28 | C26 | H19 | 180.0° | 179.9° |
| N29 | N28 | C26 | C25 | 0.3° | 0.6° |
| N29 | N28 | C26 | O27 | 179.5° | 180.0° |
| C20 | C21 | C22 | H8 | 180.0° | 180.0° |
| C20 | C21 | C22 | C23 | 0.1° | 0.0° |
| C21 | C20 | C25 | C26 | 179.9° | 180.0° |
| C21 | C20 | C25 | C24 | 0.2° | 0.0° |
| C20 | C21 | C22 | H9 | 179.9° | 180.0° |
| C22 | C21 | C20 | C25 | 0.2° | 0.0° |
| C21 | C22 | C23 | H9 | 180.0° | 180.0° |
| C21 | C22 | C23 | C24 | 0.0° | 0.0° |
| C21 | C22 | C23 | H18 | 179.9° | 179.9° |
| C20 | C25 | C26 | N28 | 0.2° | 0.6° |
| C20 | C25 | C26 | C24 | 180.0° | 180.0° |
| C20 | C25 | C26 | O27 | 179.6° | 180.0° |
| C20 | C25 | C24 | C23 | 0.1° | 0.1° |
| C25 | C20 | C21 | H8 | 179.8° | 180.0° |
| C20 | C25 | C24 | H10 | 179.9° | 180.0° |
| N28 | C26 | C25 | O27 | 179.8° | 179.4° |
| N28 | C26 | C25 | C24 | 179.8° | 179.5° |
| C22 | C23 | C24 | C25 | 0.0° | 0.1° |
| C22 | C23 | C24 | H18 | 180.0° | 179.9° |
| C23 | C22 | C21 | H8 | 179.9° | 180.0° |
| C22 | C23 | C24 | H10 | 179.9° | 180.0° |
| C26 | C25 | C24 | C23 | 179.9° | 180.0° |
| C26 | C25 | C24 | H10 | 0.1° | 0.0° |
| C25 | C26 | N28 | H19 | 179.7° | 179.5° |
| C24 | C25 | C26 | O27 | 0.4° | 0.1° |
| C25 | C24 | C23 | H10 | 180.0° | 180.0° |
| C25 | C24 | C23 | H18 | 180.0° | 180.0° |
| O27 | C26 | N28 | H19 | 0.5° | 0.1° |
| C24 | C23 | C22 | H9 | 180.0° | 180.0° |
| H1 | C6 | C1 | H11 | 0.1° | 0.0° |
| H2 | C7 | C8 | H4 | 107.9° | 0.2° |
| H2 | C7 | C8 | H5 | 13.5° | 122.3° |
| H3 | C7 | C8 | H4 | 14.0° | 122.3° |
| H3 | C7 | C8 | H5 | 135.4° | 0.2° |
| H6 | C15 | C14 | H16 | 0.0° | 0.2° |
| H7 | C17 | C18 | H17 | 0.1° | 0.0° |
| H8 | C21 | C22 | H9 | 0.1° | 0.0° |
| H9 | C22 | C23 | H18 | 0.1° | 0.1° |
| H10 | C24 | C23 | H18 | 0.1° | 0.1° |
| H11 | C1 | C2 | H12 | 0.2° | 0.0° |
| H12 | C2 | C3 | H13 | 0.2° | 0.0° |
