0N8
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C6 | C1 | doub | 1.38Å | 1.39Å | Aromatic |
| C6 | C5 | sing | 1.38Å | 1.39Å | Aromatic |
| C1 | C2 | sing | 1.38Å | 1.39Å | Aromatic |
| O27 | C14 | doub | 1.21Å | 1.21Å | |
| C12 | C13 | sing | 1.53Å | 1.52Å | |
| C12 | C11 | sing | 1.53Å | 1.52Å | |
| C5 | C4 | doub | 1.38Å | 1.39Å | Aromatic |
| C13 | N8 | sing | 1.47Å | 1.45Å | |
| C2 | C7 | sing | 1.51Å | 1.51Å | |
| C2 | C3 | doub | 1.38Å | 1.39Å | Aromatic |
| O28 | C23 | sing | 1.35Å | 1.33Å | |
| C7 | N8 | sing | 1.47Å | 1.45Å | |
| C15 | C11 | sing | 1.53Å | 1.52Å | |
| C15 | C16 | sing | 1.51Å | 1.51Å | |
| C14 | C11 | sing | 1.51Å | 1.51Å | |
| C14 | C22 | sing | 1.42Å | 1.53Å | |
| C11 | C10 | sing | 1.53Å | 1.52Å | |
| N8 | C9 | sing | 1.47Å | 1.46Å | |
| C4 | C3 | sing | 1.38Å | 1.39Å | Aromatic |
| C16 | C21 | doub | 1.38Å | 1.39Å | Aromatic |
| C16 | C17 | sing | 1.38Å | 1.39Å | Aromatic |
| C23 | C22 | doub | 1.36Å | 1.36Å | |
| C23 | C24 | sing | 1.48Å | 1.48Å | |
| C21 | C20 | sing | 1.38Å | 1.39Å | Aromatic |
| C17 | C18 | doub | 1.38Å | 1.39Å | Aromatic |
| O25 | C24 | doub | 1.21Å | 1.26Å | |
| C10 | C9 | sing | 1.53Å | 1.52Å | |
| C24 | O26 | sing | 1.35Å | 1.26Å | |
| C20 | C19 | doub | 1.38Å | 1.39Å | Aromatic |
| C18 | C19 | sing | 1.38Å | 1.39Å | Aromatic |
| C19 | CL2 | sing | 1.74Å | 1.80Å | |
| C18 | H1 | sing | 1.08Å | 1.08Å | |
| C17 | H2 | sing | 1.08Å | 1.08Å | |
| C20 | H3 | sing | 1.08Å | 1.08Å | |
| C21 | H4 | sing | 1.08Å | 1.08Å | |
| C15 | H5 | sing | 1.09Å | 1.10Å | |
| C15 | H6 | sing | 1.09Å | 1.10Å | |
| C10 | H7 | sing | 1.09Å | 1.10Å | |
| C10 | H8 | sing | 1.09Å | 1.10Å | |
| C9 | H9 | sing | 1.09Å | 1.10Å | |
| C9 | H10 | sing | 1.09Å | 1.10Å | |
| C22 | H11 | sing | 1.08Å | 1.08Å | |
| O28 | H14 | sing | 0.97Å | 0.95Å | |
| O26 | H15 | sing | 0.97Å | 0.95Å | |
| C12 | H16 | sing | 1.09Å | 1.10Å | |
| C12 | H17 | sing | 1.09Å | 1.10Å | |
| C13 | H18 | sing | 1.09Å | 1.10Å | |
| C13 | H19 | sing | 1.09Å | 1.10Å | |
| C7 | H21 | sing | 1.09Å | 1.10Å | |
| C7 | H22 | sing | 1.09Å | 1.10Å | |
| C3 | H23 | sing | 1.08Å | 1.08Å | |
| C4 | H24 | sing | 1.08Å | 1.08Å | |
| C5 | H25 | sing | 1.08Å | 1.08Å | |
| C6 | H26 | sing | 1.08Å | 1.08Å | |
| C1 | H27 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | C6 | C5 | 120.0° | 120.0° |
| C6 | C1 | C2 | 120.0° | 120.0° |
| C1 | C6 | H26 | 120.0° | 120.0° |
| C6 | C1 | H27 | 120.0° | 120.0° |
| C6 | C5 | C4 | 120.0° | 120.0° |
| C6 | C5 | H25 | 120.0° | 120.0° |
| C5 | C6 | H26 | 120.0° | 120.0° |
| C1 | C2 | C7 | 120.2° | 120.0° |
| C1 | C2 | C3 | 119.9° | 120.0° |
| C2 | C1 | H27 | 120.0° | 120.0° |
| O27 | C14 | C11 | 115.2° | 120.0° |
| O27 | C14 | C22 | 120.6° | 120.0° |
| C13 | C12 | C11 | 110.4° | 109.3° |
| C12 | C13 | N8 | 104.0° | 109.5° |
| C13 | C12 | H16 | 109.3° | 109.5° |
| C13 | C12 | H17 | 109.2° | 109.5° |
| C12 | C13 | H18 | 110.9° | 109.5° |
| C12 | C13 | H19 | 110.8° | 109.5° |
| C12 | C11 | C15 | 109.2° | 109.5° |
| C12 | C11 | C14 | 106.2° | 109.6° |
| C12 | C11 | C10 | 110.3° | 109.2° |
| C11 | C12 | H16 | 109.2° | 109.5° |
| C11 | C12 | H17 | 109.3° | 109.5° |
| C5 | C4 | C3 | 120.1° | 120.0° |
| C5 | C4 | H24 | 120.0° | 120.1° |
| C4 | C5 | H25 | 120.0° | 120.0° |
| C13 | N8 | C7 | 119.4° | 111.0° |
| C13 | N8 | C9 | 119.9° | 111.2° |
| N8 | C13 | H18 | 110.8° | 109.4° |
| N8 | C13 | H19 | 110.8° | 109.4° |
| C7 | C2 | C3 | 119.9° | 120.0° |
| C2 | C7 | N8 | 105.0° | 109.5° |
| C2 | C7 | H21 | 110.6° | 109.4° |
| C2 | C7 | H22 | 110.6° | 109.5° |
| C2 | C3 | C4 | 120.0° | 120.0° |
| C2 | C3 | H23 | 120.0° | 120.0° |
| O28 | C23 | C22 | 119.7° | 120.0° |
| O28 | C23 | C24 | 117.6° | 120.0° |
| C23 | O28 | H14 | 109.5° | 114.1° |
| C7 | N8 | C9 | 120.7° | 111.0° |
| N8 | C7 | H21 | 110.6° | 109.5° |
| N8 | C7 | H22 | 110.5° | 109.5° |
| C11 | C15 | C16 | 111.8° | 109.5° |
| C15 | C11 | C14 | 110.1° | 109.5° |
| C15 | C11 | C10 | 109.9° | 109.5° |
| C11 | C15 | H5 | 108.9° | 109.5° |
| C11 | C15 | H6 | 108.9° | 109.4° |
| C15 | C16 | C21 | 119.5° | 120.0° |
| C15 | C16 | C17 | 120.6° | 120.0° |
| C16 | C15 | H5 | 108.9° | 109.5° |
| C16 | C15 | H6 | 108.9° | 109.5° |
| C11 | C14 | C22 | 124.2° | 120.0° |
| C14 | C11 | C10 | 111.2° | 109.5° |
| C14 | C22 | C23 | 112.6° | 120.0° |
| C14 | C22 | H11 | 123.7° | 120.0° |
| C11 | C10 | C9 | 108.4° | 109.3° |
| C11 | C10 | H7 | 109.7° | 109.5° |
| C11 | C10 | H8 | 109.7° | 109.5° |
| N8 | C9 | C10 | 104.2° | 109.6° |
| N8 | C9 | H9 | 110.8° | 109.4° |
| N8 | C9 | H10 | 110.8° | 109.4° |
| C4 | C3 | H23 | 120.0° | 120.0° |
| C3 | C4 | H24 | 119.9° | 119.9° |
| C21 | C16 | C17 | 119.9° | 120.0° |
| C16 | C21 | C20 | 120.2° | 120.0° |
| C16 | C21 | H4 | 119.9° | 120.0° |
| C16 | C17 | C18 | 120.0° | 120.1° |
| C16 | C17 | H2 | 120.0° | 119.9° |
| C22 | C23 | C24 | 122.8° | 120.0° |
| C23 | C22 | H11 | 123.7° | 120.0° |
| C23 | C24 | O25 | 118.9° | 120.0° |
| C23 | C24 | O26 | 120.2° | 120.0° |
| C21 | C20 | C19 | 120.0° | 120.0° |
| C21 | C20 | H3 | 120.0° | 120.0° |
| C20 | C21 | H4 | 119.9° | 120.0° |
| C17 | C18 | C19 | 120.0° | 120.0° |
| C17 | C18 | H1 | 120.0° | 120.0° |
| C18 | C17 | H2 | 120.0° | 120.0° |
| O25 | C24 | O26 | 120.9° | 119.9° |
| C9 | C10 | H7 | 109.8° | 109.5° |
| C9 | C10 | H8 | 109.8° | 109.5° |
| C10 | C9 | H9 | 110.8° | 109.5° |
| C10 | C9 | H10 | 110.8° | 109.5° |
| C24 | O26 | H15 | 109.5° | 117.0° |
| C20 | C19 | C18 | 120.0° | 119.9° |
| C20 | C19 | CL2 | 119.9° | 120.0° |
| C19 | C20 | H3 | 120.0° | 120.0° |
| C18 | C19 | CL2 | 120.1° | 120.0° |
| C19 | C18 | H1 | 120.0° | 120.0° |
| H5 | C15 | H6 | 109.5° | 109.5° |
| H7 | C10 | H8 | 109.4° | 109.5° |
| H9 | C9 | H10 | 109.4° | 109.4° |
| H16 | C12 | H17 | 109.4° | 109.5° |
| H18 | C13 | H19 | 109.4° | 109.5° |
| H21 | C7 | H22 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | C6 | C5 | H26 | 180.0° | 179.4° |
| C6 | C1 | C2 | H27 | 180.0° | 179.4° |
| C1 | C6 | C5 | C4 | 0.1° | 0.3° |
| C6 | C1 | C2 | C7 | 179.4° | 179.7° |
| C6 | C1 | C2 | C3 | 1.0° | 0.6° |
| C1 | C6 | C5 | H25 | 180.0° | 179.8° |
| C5 | C6 | C1 | C2 | 0.5° | 0.6° |
| C6 | C5 | C4 | H25 | 180.0° | 180.0° |
| C6 | C5 | C4 | C3 | 0.0° | 0.0° |
| C6 | C5 | C4 | H24 | 180.0° | 179.9° |
| C5 | C6 | C1 | H27 | 179.5° | 180.0° |
| C1 | C2 | C7 | C3 | 178.4° | 179.7° |
| C1 | C2 | C7 | N8 | 80.9° | 90.3° |
| C1 | C2 | C3 | C4 | 0.9° | 0.3° |
| C1 | C2 | C7 | H21 | 38.4° | 149.7° |
| C1 | C2 | C7 | H22 | 159.8° | 29.7° |
| C1 | C2 | C3 | H23 | 179.1° | 179.7° |
| C2 | C1 | C6 | H26 | 179.5° | 180.0° |
| O27 | C14 | C11 | C12 | 51.4° | 126.1° |
| O27 | C14 | C11 | C15 | 66.6° | 113.7° |
| O27 | C14 | C11 | C22 | 179.5° | 180.0° |
| O27 | C14 | C11 | C10 | 171.4° | 6.4° |
| O27 | C14 | C22 | C23 | 20.8° | 5.2° |
| O27 | C14 | C22 | H11 | 159.2° | 174.9° |
| C13 | C12 | C11 | H16 | 120.2° | 120.0° |
| C13 | C12 | C11 | H17 | 120.2° | 120.0° |
| C12 | C13 | N8 | H18 | 119.2° | 120.1° |
| C12 | C13 | N8 | H19 | 119.1° | 120.0° |
| C12 | C13 | N8 | C7 | 108.4° | 174.2° |
| C13 | C12 | C11 | C15 | 91.7° | 177.6° |
| C13 | C12 | C11 | C14 | 149.6° | 62.3° |
| C13 | C12 | C11 | C10 | 29.0° | 57.7° |
| C12 | C13 | N8 | C9 | 72.7° | 61.7° |
| C13 | C12 | H16 | H17 | 119.6° | 120.1° |
| C12 | C13 | H18 | H19 | 122.5° | 120.1° |
| C11 | C12 | C13 | N8 | 33.2° | 59.2° |
| C12 | C11 | C15 | C14 | 116.2° | 120.2° |
| C12 | C11 | C15 | C10 | 121.0° | 119.7° |
| C12 | C11 | C15 | C16 | 170.7° | 178.0° |
| C12 | C11 | C14 | C10 | 120.0° | 119.7° |
| C12 | C11 | C14 | C22 | 128.0° | 53.8° |
| C12 | C11 | C10 | C9 | 70.4° | 57.6° |
| C12 | C11 | C15 | H5 | 68.9° | 58.0° |
| C12 | C11 | C15 | H6 | 50.4° | 62.0° |
| C12 | C11 | C10 | H7 | 49.5° | 177.6° |
| C12 | C11 | C10 | H8 | 169.7° | 62.3° |
| C11 | C12 | H16 | H17 | 119.6° | 120.1° |
| C11 | C12 | C13 | H18 | 152.3° | 179.2° |
| C11 | C12 | C13 | H19 | 86.0° | 60.8° |
| C5 | C4 | C3 | C2 | 0.4° | 0.0° |
| C5 | C4 | C3 | H24 | 180.0° | 179.9° |
| C5 | C4 | C3 | H23 | 179.6° | 180.0° |
| C4 | C5 | C6 | H26 | 180.0° | 179.7° |
| C13 | N8 | C7 | C2 | 64.2° | 170.0° |
| C13 | N8 | C7 | C9 | 178.9° | 124.2° |
| C13 | N8 | C9 | C10 | 32.8° | 61.7° |
| C13 | N8 | C9 | H9 | 152.0° | 58.3° |
| C13 | N8 | C9 | H10 | 86.4° | 178.2° |
| N8 | C13 | C12 | H16 | 153.3° | 60.8° |
| N8 | C13 | C12 | H17 | 87.0° | 179.1° |
| N8 | C13 | H18 | H19 | 122.5° | 119.9° |
| C13 | N8 | C7 | H21 | 55.1° | 50.0° |
| C13 | N8 | C7 | H22 | 176.5° | 70.0° |
| C2 | C7 | N8 | H21 | 119.3° | 119.9° |
| C2 | C7 | N8 | H22 | 119.3° | 120.0° |
| C2 | C7 | N8 | C9 | 114.7° | 65.8° |
| C7 | C2 | C3 | C4 | 179.4° | 180.0° |
| C2 | C7 | H21 | H22 | 122.1° | 120.0° |
| C7 | C2 | C3 | H23 | 0.6° | 0.0° |
| C7 | C2 | C1 | H27 | 0.6° | 0.3° |
| C3 | C2 | C7 | N8 | 97.5° | 90.0° |
| C2 | C3 | C4 | H23 | 180.0° | 180.0° |
| C3 | C2 | C7 | H21 | 143.2° | 30.0° |
| C3 | C2 | C7 | H22 | 21.8° | 150.0° |
| C2 | C3 | C4 | H24 | 179.6° | 179.9° |
| C3 | C2 | C1 | H27 | 179.0° | 180.0° |
| O28 | C23 | C22 | C14 | 7.1° | 0.1° |
| O28 | C23 | C22 | C24 | 179.9° | 179.9° |
| O28 | C23 | C24 | O25 | 8.2° | 180.0° |
| O28 | C23 | C24 | O26 | 171.6° | 0.1° |
| O28 | C23 | C22 | H11 | 173.0° | 180.0° |
| C7 | N8 | C9 | C10 | 148.4° | 174.2° |
| C7 | N8 | C9 | H9 | 29.2° | 65.8° |
| C7 | N8 | C9 | H10 | 92.5° | 54.1° |
| C7 | N8 | C13 | H18 | 10.8° | 54.1° |
| C7 | N8 | C13 | H19 | 132.5° | 65.8° |
| N8 | C7 | H21 | H22 | 122.0° | 120.1° |
| C11 | C15 | C16 | H5 | 120.3° | 120.1° |
| C11 | C15 | C16 | H6 | 120.3° | 120.0° |
| C15 | C11 | C14 | C10 | 122.0° | 120.1° |
| C15 | C11 | C14 | C22 | 113.9° | 66.3° |
| C11 | C15 | C16 | C21 | 131.8° | 90.2° |
| C11 | C15 | C16 | C17 | 49.5° | 90.0° |
| C15 | C11 | C10 | C9 | 50.0° | 177.5° |
| C11 | C15 | H5 | H6 | 118.9° | 120.0° |
| C15 | C11 | C10 | H7 | 169.8° | 62.5° |
| C15 | C11 | C10 | H8 | 69.9° | 57.6° |
| C15 | C11 | C12 | H16 | 148.1° | 57.6° |
| C15 | C11 | C12 | H17 | 28.4° | 62.5° |
| C16 | C15 | C11 | C14 | 73.1° | 61.8° |
| C16 | C15 | C11 | C10 | 49.7° | 58.3° |
| C15 | C16 | C21 | C17 | 178.7° | 179.8° |
| C15 | C16 | C21 | C20 | 179.4° | 180.0° |
| C15 | C16 | C17 | C18 | 179.4° | 180.0° |
| C15 | C16 | C17 | H2 | 0.6° | 0.0° |
| C15 | C16 | C21 | H4 | 0.6° | 0.1° |
| C16 | C15 | H5 | H6 | 119.0° | 120.0° |
| C11 | C14 | C22 | C23 | 158.6° | 174.9° |
| C14 | C11 | C10 | C9 | 172.1° | 62.3° |
| C14 | C11 | C15 | H5 | 47.2° | 178.1° |
| C14 | C11 | C15 | H6 | 166.5° | 58.2° |
| C14 | C11 | C10 | H7 | 68.0° | 57.6° |
| C14 | C11 | C10 | H8 | 52.2° | 177.7° |
| C11 | C14 | C22 | H11 | 21.3° | 5.1° |
| C14 | C11 | C12 | H16 | 29.5° | 177.8° |
| C14 | C11 | C12 | H17 | 90.2° | 57.7° |
| C22 | C14 | C11 | C10 | 8.1° | 173.5° |
| C14 | C22 | C23 | H11 | 180.0° | 180.0° |
| C14 | C22 | C23 | C24 | 172.8° | 180.0° |
| C11 | C10 | C9 | N8 | 37.6° | 59.2° |
| C11 | C10 | C9 | H7 | 119.9° | 119.9° |
| C11 | C10 | C9 | H8 | 119.9° | 120.0° |
| C10 | C11 | C15 | H5 | 170.0° | 61.7° |
| C10 | C11 | C15 | H6 | 70.7° | 178.3° |
| C11 | C10 | H7 | H8 | 120.5° | 120.1° |
| C11 | C10 | C9 | H9 | 81.6° | 60.8° |
| C11 | C10 | C9 | H10 | 156.8° | 179.2° |
| C10 | C11 | C12 | H16 | 91.1° | 62.3° |
| C10 | C11 | C12 | H17 | 149.2° | 177.6° |
| N8 | C9 | C10 | H9 | 119.2° | 120.0° |
| N8 | C9 | C10 | H10 | 119.2° | 120.0° |
| N8 | C9 | C10 | H7 | 82.2° | 179.1° |
| N8 | C9 | C10 | H8 | 157.5° | 60.8° |
| N8 | C9 | H9 | H10 | 122.4° | 119.9° |
| C9 | N8 | C13 | H18 | 168.1° | 178.3° |
| C9 | N8 | C13 | H19 | 46.4° | 58.3° |
| C9 | N8 | C7 | H21 | 126.0° | 174.3° |
| C9 | N8 | C7 | H22 | 4.6° | 54.2° |
| C3 | C4 | C5 | H25 | 180.0° | 179.9° |
| C16 | C21 | C20 | H4 | 180.0° | 179.9° |
| C21 | C16 | C17 | C18 | 0.7° | 0.2° |
| C16 | C21 | C20 | C19 | 0.3° | 0.0° |
| C21 | C16 | C17 | H2 | 179.3° | 179.8° |
| C16 | C21 | C20 | H3 | 179.7° | 179.9° |
| C21 | C16 | C15 | H5 | 107.9° | 149.7° |
| C21 | C16 | C15 | H6 | 11.5° | 29.8° |
| C17 | C16 | C21 | C20 | 0.7° | 0.2° |
| C16 | C17 | C18 | H2 | 180.0° | 180.0° |
| C16 | C17 | C18 | C19 | 0.3° | 0.0° |
| C16 | C17 | C18 | H1 | 179.7° | 180.0° |
| C17 | C16 | C21 | H4 | 179.3° | 179.7° |
| C17 | C16 | C15 | H5 | 70.8° | 30.0° |
| C17 | C16 | C15 | H6 | 169.9° | 150.0° |
| C22 | C23 | C24 | O25 | 171.7° | 0.1° |
| C22 | C23 | C24 | O26 | 8.6° | 180.0° |
| C22 | C23 | O28 | H14 | 2.0° | 180.0° |
| C23 | C24 | O25 | O26 | 179.8° | 179.9° |
| C24 | C23 | C22 | H11 | 7.2° | 0.0° |
| C24 | C23 | O28 | H14 | 178.1° | 0.1° |
| C23 | C24 | O26 | H15 | 179.8° | 180.0° |
| C21 | C20 | C19 | H3 | 180.0° | 179.9° |
| C21 | C20 | C19 | C18 | 0.1° | 0.2° |
| C21 | C20 | C19 | CL2 | 180.0° | 180.0° |
| C17 | C18 | C19 | C20 | 0.0° | 0.3° |
| C17 | C18 | C19 | H1 | 180.0° | 179.9° |
| C17 | C18 | C19 | CL2 | 179.9° | 180.0° |
| O25 | C24 | O26 | H15 | 0.0° | 0.0° |
| C9 | C10 | H7 | H8 | 120.5° | 120.1° |
| C10 | C9 | H9 | H10 | 122.4° | 120.0° |
| C20 | C19 | C18 | CL2 | 179.9° | 179.7° |
| C20 | C19 | C18 | H1 | 180.0° | 179.8° |
| C19 | C20 | C21 | H4 | 179.7° | 179.9° |
| C19 | C18 | C17 | H2 | 179.6° | 180.0° |
| C18 | C19 | C20 | H3 | 179.9° | 179.7° |
| CL2 | C19 | C18 | H1 | 0.0° | 0.0° |
| CL2 | C19 | C20 | H3 | 0.0° | 0.1° |
| H1 | C18 | C17 | H2 | 0.4° | 0.0° |
| H3 | C20 | C21 | H4 | 0.3° | 0.0° |
| H7 | C10 | C9 | H9 | 158.6° | 59.1° |
| H7 | C10 | C9 | H10 | 36.9° | 60.8° |
| H8 | C10 | C9 | H9 | 38.3° | 179.2° |
| H8 | C10 | C9 | H10 | 83.4° | 59.2° |
| H16 | C12 | C13 | H18 | 87.5° | 59.2° |
| H16 | C12 | C13 | H19 | 34.2° | 179.3° |
| H17 | C12 | C13 | H18 | 32.2° | 60.9° |
| H17 | C12 | C13 | H19 | 153.9° | 59.2° |
| H23 | C3 | C4 | H24 | 0.5° | 0.0° |
| H24 | C4 | C5 | H25 | 0.0° | 0.0° |
| H25 | C5 | C6 | H26 | 0.0° | 0.3° |
| H26 | C6 | C1 | H27 | 0.5° | 0.5° |
