8WC
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C | C1 | sing | 1.51Å | 1.51Å | |
| C1 | C4 | doub | 1.38Å | 1.38Å | Aromatic |
| C1 | C2 | sing | 1.38Å | 1.39Å | Aromatic |
| C4 | C5 | sing | 1.38Å | 1.38Å | Aromatic |
| N | C13 | trip | 1.14Å | 1.15Å | |
| C13 | C12 | sing | 1.43Å | 1.44Å | |
| C2 | C3 | doub | 1.38Å | 1.38Å | Aromatic |
| C5 | C6 | doub | 1.39Å | 1.40Å | Aromatic |
| C12 | C14 | doub | 1.40Å | 1.40Å | Aromatic |
| C12 | C11 | sing | 1.40Å | 1.40Å | Aromatic |
| C14 | C15 | sing | 1.38Å | 1.39Å | Aromatic |
| C11 | C10 | doub | 1.38Å | 1.38Å | Aromatic |
| C3 | C6 | sing | 1.39Å | 1.39Å | Aromatic |
| C6 | C7 | sing | 1.48Å | 1.49Å | |
| C15 | C9 | doub | 1.39Å | 1.40Å | Aromatic |
| C10 | C9 | sing | 1.40Å | 1.40Å | Aromatic |
| C9 | C8 | sing | 1.48Å | 1.49Å | |
| C7 | C8 | doub | 1.40Å | 1.42Å | Aromatic |
| C7 | N2 | sing | 1.33Å | 1.34Å | Aromatic |
| C8 | C16 | sing | 1.40Å | 1.39Å | Aromatic |
| N2 | C24 | doub | 1.32Å | 1.34Å | Aromatic |
| C16 | C17 | doub | 1.39Å | 1.38Å | Aromatic |
| C24 | C17 | sing | 1.39Å | 1.38Å | Aromatic |
| C17 | O | sing | 1.36Å | 1.38Å | |
| O | C18 | sing | 1.43Å | 1.43Å | |
| C19 | C18 | sing | 1.53Å | 1.51Å | |
| C19 | C23 | sing | 1.53Å | 1.52Å | |
| C19 | C20 | sing | 1.53Å | 1.52Å | |
| C21 | C20 | sing | 1.53Å | 1.52Å | |
| C21 | N1 | sing | 1.47Å | 1.47Å | |
| C22 | C23 | sing | 1.53Å | 1.52Å | |
| C22 | N1 | sing | 1.47Å | 1.46Å | |
| C4 | H1 | sing | 1.08Å | 1.08Å | |
| C5 | H2 | sing | 1.08Å | 1.08Å | |
| N1 | H3 | sing | 1.01Å | 1.00Å | |
| C10 | H5 | sing | 1.08Å | 1.08Å | |
| C11 | H6 | sing | 1.08Å | 1.08Å | |
| C14 | H7 | sing | 1.08Å | 1.08Å | |
| C15 | H8 | sing | 1.08Å | 1.08Å | |
| C | H9 | sing | 1.09Å | 1.10Å | |
| C | H10 | sing | 1.09Å | 1.10Å | |
| C | H11 | sing | 1.09Å | 1.10Å | |
| C16 | H12 | sing | 1.08Å | 1.08Å | |
| C18 | H13 | sing | 1.09Å | 1.10Å | |
| C18 | H14 | sing | 1.09Å | 1.10Å | |
| C19 | H15 | sing | 1.09Å | 1.10Å | |
| C2 | H16 | sing | 1.08Å | 1.08Å | |
| C20 | H17 | sing | 1.09Å | 1.10Å | |
| C20 | H18 | sing | 1.09Å | 1.10Å | |
| C21 | H19 | sing | 1.09Å | 1.10Å | |
| C21 | H20 | sing | 1.09Å | 1.10Å | |
| C22 | H21 | sing | 1.09Å | 1.10Å | |
| C22 | H22 | sing | 1.09Å | 1.10Å | |
| C23 | H23 | sing | 1.09Å | 1.10Å | |
| C23 | H24 | sing | 1.09Å | 1.10Å | |
| C24 | H25 | sing | 1.08Å | 1.08Å | |
| C3 | H26 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C | C1 | C4 | 121.2° | 119.9° |
| C | C1 | C2 | 120.9° | 119.8° |
| C1 | C | H9 | 109.5° | 109.5° |
| C1 | C | H10 | 109.5° | 109.5° |
| C1 | C | H11 | 109.5° | 109.5° |
| C4 | C1 | C2 | 117.9° | 120.3° |
| C1 | C4 | C5 | 121.4° | 120.2° |
| C1 | C4 | H1 | 119.3° | 119.9° |
| C1 | C2 | C3 | 121.1° | 120.1° |
| C1 | C2 | H16 | 119.5° | 120.0° |
| C4 | C5 | C6 | 121.0° | 119.9° |
| C5 | C4 | H1 | 119.3° | 120.0° |
| C4 | C5 | H2 | 119.5° | 120.1° |
| N | C13 | C12 | 178.2° | 179.9° |
| C13 | C12 | C14 | 120.6° | 120.0° |
| C13 | C12 | C11 | 120.0° | 120.1° |
| C2 | C3 | C6 | 121.2° | 119.9° |
| C3 | C2 | H16 | 119.4° | 119.9° |
| C2 | C3 | H26 | 119.4° | 120.1° |
| C5 | C6 | C3 | 117.4° | 119.7° |
| C5 | C6 | C7 | 120.9° | 120.2° |
| C6 | C5 | H2 | 119.5° | 120.0° |
| C14 | C12 | C11 | 119.3° | 119.9° |
| C12 | C14 | C15 | 120.1° | 120.0° |
| C12 | C14 | H7 | 120.0° | 120.0° |
| C12 | C11 | C10 | 120.1° | 120.0° |
| C12 | C11 | H6 | 119.9° | 120.0° |
| C14 | C15 | C9 | 121.1° | 120.0° |
| C15 | C14 | H7 | 120.0° | 120.0° |
| C14 | C15 | H8 | 119.5° | 120.0° |
| C11 | C10 | C9 | 121.2° | 120.0° |
| C11 | C10 | H5 | 119.4° | 120.0° |
| C10 | C11 | H6 | 120.0° | 120.0° |
| C3 | C6 | C7 | 121.4° | 120.1° |
| C6 | C3 | H26 | 119.4° | 120.1° |
| C6 | C7 | C8 | 122.9° | 119.8° |
| C6 | C7 | N2 | 115.0° | 119.7° |
| C15 | C9 | C10 | 118.2° | 120.1° |
| C15 | C9 | C8 | 121.3° | 120.0° |
| C9 | C15 | H8 | 119.4° | 120.0° |
| C10 | C9 | C8 | 120.5° | 119.9° |
| C9 | C10 | H5 | 119.4° | 120.0° |
| C9 | C8 | C7 | 124.3° | 120.5° |
| C9 | C8 | C16 | 118.3° | 120.6° |
| C8 | C7 | N2 | 122.0° | 120.5° |
| C7 | C8 | C16 | 117.4° | 118.9° |
| C7 | N2 | C24 | 119.0° | 121.8° |
| C8 | C16 | C17 | 119.8° | 118.3° |
| C8 | C16 | H12 | 120.1° | 120.9° |
| N2 | C24 | C17 | 122.8° | 121.1° |
| N2 | C24 | H25 | 118.6° | 119.5° |
| C16 | C17 | C24 | 118.9° | 119.4° |
| C16 | C17 | O | 126.9° | 120.3° |
| C17 | C16 | H12 | 120.1° | 120.8° |
| C24 | C17 | O | 114.1° | 120.3° |
| C17 | C24 | H25 | 118.6° | 119.4° |
| C17 | O | C18 | 120.0° | 117.0° |
| O | C18 | C19 | 107.3° | 109.4° |
| O | C18 | H13 | 110.0° | 109.5° |
| O | C18 | H14 | 110.0° | 109.4° |
| C18 | C19 | C23 | 111.9° | 109.5° |
| C18 | C19 | C20 | 111.5° | 109.5° |
| C19 | C18 | H13 | 110.0° | 109.5° |
| C19 | C18 | H14 | 110.0° | 109.5° |
| C18 | C19 | H15 | 108.4° | 109.6° |
| C23 | C19 | C20 | 108.4° | 109.1° |
| C19 | C23 | C22 | 108.6° | 109.3° |
| C23 | C19 | H15 | 108.3° | 109.5° |
| C19 | C23 | H23 | 109.7° | 109.5° |
| C19 | C23 | H24 | 109.7° | 109.5° |
| C19 | C20 | C21 | 108.5° | 109.3° |
| C20 | C19 | H15 | 108.3° | 109.6° |
| C19 | C20 | H17 | 109.7° | 109.5° |
| C19 | C20 | H18 | 109.7° | 109.5° |
| C20 | C21 | N1 | 110.8° | 109.5° |
| C21 | C20 | H17 | 109.7° | 109.5° |
| C21 | C20 | H18 | 109.7° | 109.5° |
| C20 | C21 | H19 | 109.1° | 109.5° |
| C20 | C21 | H20 | 109.1° | 109.5° |
| C21 | N1 | C22 | 110.8° | 111.2° |
| C21 | N1 | H3 | 109.1° | 111.0° |
| N1 | C21 | H19 | 109.1° | 109.5° |
| N1 | C21 | H20 | 109.1° | 109.4° |
| C23 | C22 | N1 | 111.2° | 109.5° |
| C23 | C22 | H21 | 109.0° | 109.5° |
| C23 | C22 | H22 | 109.0° | 109.4° |
| C22 | C23 | H23 | 109.7° | 109.5° |
| C22 | C23 | H24 | 109.7° | 109.5° |
| C22 | N1 | H3 | 109.1° | 111.0° |
| N1 | C22 | H21 | 109.0° | 109.5° |
| N1 | C22 | H22 | 109.1° | 109.4° |
| H9 | C | H10 | 109.5° | 109.5° |
| H9 | C | H11 | 109.5° | 109.4° |
| H10 | C | H11 | 109.4° | 109.4° |
| H13 | C18 | H14 | 109.5° | 109.5° |
| H17 | C20 | H18 | 109.5° | 109.5° |
| H19 | C21 | H20 | 109.5° | 109.4° |
| H21 | C22 | H22 | 109.5° | 109.5° |
| H23 | C23 | H24 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C | C1 | C4 | C2 | 177.7° | 179.9° |
| C | C1 | C4 | C5 | 177.9° | 180.0° |
| C | C1 | C2 | C3 | 177.8° | 179.5° |
| C | C1 | C4 | H1 | 2.1° | 0.4° |
| C1 | C | H9 | H10 | 120.0° | 120.1° |
| C1 | C | H9 | H11 | 120.0° | 119.9° |
| C1 | C | H10 | H11 | 120.0° | 120.0° |
| C | C1 | C2 | H16 | 2.2° | 0.1° |
| C1 | C4 | C5 | H1 | 180.0° | 179.6° |
| C4 | C1 | C2 | C3 | 0.2° | 0.4° |
| C1 | C4 | C5 | C6 | 1.0° | 0.3° |
| C1 | C4 | C5 | H2 | 179.1° | 179.7° |
| C4 | C1 | C | H9 | 88.8° | 89.9° |
| C4 | C1 | C | H10 | 151.2° | 150.0° |
| C4 | C1 | C | H11 | 31.2° | 30.0° |
| C4 | C1 | C2 | H16 | 179.9° | 180.0° |
| C2 | C1 | C4 | C5 | 0.2° | 0.1° |
| C1 | C2 | C3 | H16 | 180.0° | 179.6° |
| C1 | C2 | C3 | C6 | 1.0° | 0.7° |
| C2 | C1 | C4 | H1 | 179.8° | 179.8° |
| C2 | C1 | C | H9 | 88.8° | 90.0° |
| C2 | C1 | C | H10 | 31.2° | 30.1° |
| C2 | C1 | C | H11 | 151.2° | 150.1° |
| C1 | C2 | C3 | H26 | 179.0° | 179.9° |
| C4 | C5 | C6 | H2 | 180.0° | 179.9° |
| C4 | C5 | C6 | C3 | 2.1° | 0.0° |
| C4 | C5 | C6 | C7 | 172.0° | 180.0° |
| N | C13 | C12 | C14 | 156.8° | 170.2° |
| N | C13 | C12 | C11 | 20.0° | 10.0° |
| C13 | C12 | C14 | C11 | 176.8° | 179.7° |
| C13 | C12 | C14 | C15 | 176.5° | 180.0° |
| C13 | C12 | C11 | C10 | 176.1° | 179.8° |
| C13 | C12 | C11 | H6 | 3.9° | 0.3° |
| C13 | C12 | C14 | H7 | 3.6° | 0.3° |
| C2 | C3 | C6 | C5 | 2.1° | 0.5° |
| C2 | C3 | C6 | H26 | 180.0° | 179.2° |
| C2 | C3 | C6 | C7 | 171.9° | 179.5° |
| C5 | C6 | C3 | C7 | 174.0° | 180.0° |
| C5 | C6 | C7 | C8 | 58.8° | 144.9° |
| C5 | C6 | C7 | N2 | 117.4° | 35.3° |
| C6 | C5 | C4 | H1 | 179.0° | 179.9° |
| C5 | C6 | C3 | H26 | 177.9° | 179.7° |
| C12 | C14 | C15 | H7 | 180.0° | 179.7° |
| C14 | C12 | C11 | C10 | 0.7° | 0.0° |
| C12 | C14 | C15 | C9 | 0.0° | 0.5° |
| C14 | C12 | C11 | H6 | 179.3° | 180.0° |
| C12 | C14 | C15 | H8 | 179.9° | 180.0° |
| C11 | C12 | C14 | C15 | 0.3° | 0.3° |
| C12 | C11 | C10 | H6 | 180.0° | 180.0° |
| C12 | C11 | C10 | C9 | 0.7° | 0.0° |
| C12 | C11 | C10 | H5 | 179.3° | 180.0° |
| C11 | C12 | C14 | H7 | 179.7° | 180.0° |
| C14 | C15 | C9 | H8 | 180.0° | 179.5° |
| C14 | C15 | C9 | C10 | 0.0° | 0.5° |
| C14 | C15 | C9 | C8 | 179.0° | 179.8° |
| C11 | C10 | C9 | C15 | 0.3° | 0.3° |
| C11 | C10 | C9 | H5 | 180.0° | 180.0° |
| C11 | C10 | C9 | C8 | 178.6° | 180.0° |
| C3 | C6 | C7 | C8 | 115.0° | 35.0° |
| C3 | C6 | C7 | N2 | 68.8° | 144.7° |
| C3 | C6 | C5 | H2 | 178.0° | 179.9° |
| C6 | C3 | C2 | H16 | 179.0° | 179.7° |
| C6 | C7 | C8 | C9 | 7.6° | 0.1° |
| C6 | C7 | C8 | N2 | 175.9° | 179.8° |
| C6 | C7 | C8 | C16 | 172.9° | 180.0° |
| C6 | C7 | N2 | C24 | 174.2° | 180.0° |
| C7 | C6 | C5 | H2 | 8.0° | 0.1° |
| C7 | C6 | C3 | H26 | 8.1° | 0.3° |
| C15 | C9 | C10 | C8 | 178.9° | 179.7° |
| C15 | C9 | C8 | C7 | 52.4° | 50.3° |
| C15 | C9 | C8 | C16 | 127.1° | 129.7° |
| C15 | C9 | C10 | H5 | 179.7° | 179.7° |
| C9 | C15 | C14 | H7 | 180.0° | 179.7° |
| C10 | C9 | C8 | C7 | 128.7° | 130.0° |
| C10 | C9 | C8 | C16 | 51.8° | 50.0° |
| C9 | C10 | C11 | H6 | 179.3° | 180.0° |
| C10 | C9 | C15 | H8 | 180.0° | 180.0° |
| C9 | C8 | C7 | C16 | 179.5° | 180.0° |
| C9 | C8 | C7 | N2 | 176.5° | 179.7° |
| C9 | C8 | C16 | C17 | 177.7° | 180.0° |
| C8 | C9 | C10 | H5 | 1.4° | 0.1° |
| C8 | C9 | C15 | H8 | 1.0° | 0.3° |
| C9 | C8 | C16 | H12 | 2.3° | 0.0° |
| C8 | C7 | N2 | C24 | 2.0° | 0.2° |
| C7 | C8 | C16 | C17 | 1.8° | 0.0° |
| C7 | C8 | C16 | H12 | 178.2° | 179.9° |
| N2 | C7 | C8 | C16 | 3.0° | 0.2° |
| C7 | N2 | C24 | C17 | 0.3° | 0.0° |
| C7 | N2 | C24 | H25 | 179.7° | 180.0° |
| C8 | C16 | C17 | H12 | 180.0° | 179.9° |
| C8 | C16 | C17 | C24 | 0.2° | 0.2° |
| C8 | C16 | C17 | O | 179.7° | 180.0° |
| N2 | C24 | C17 | C16 | 1.4° | 0.2° |
| N2 | C24 | C17 | H25 | 180.0° | 179.9° |
| N2 | C24 | C17 | O | 178.6° | 180.0° |
| C16 | C17 | C24 | O | 180.0° | 179.8° |
| C16 | C17 | O | C18 | 0.3° | 180.0° |
| C16 | C17 | C24 | H25 | 178.6° | 179.7° |
| C24 | C17 | O | C18 | 179.6° | 0.2° |
| C24 | C17 | C16 | H12 | 179.8° | 179.7° |
| C17 | O | C18 | C19 | 115.3° | 180.0° |
| O | C17 | C16 | H12 | 0.3° | 0.1° |
| C17 | O | C18 | H13 | 4.4° | 59.9° |
| C17 | O | C18 | H14 | 125.1° | 60.1° |
| O | C17 | C24 | H25 | 1.4° | 0.1° |
| O | C18 | C19 | H13 | 119.6° | 120.0° |
| O | C18 | C19 | H14 | 119.7° | 119.9° |
| O | C18 | C19 | C23 | 50.8° | 175.0° |
| O | C18 | C19 | C20 | 172.4° | 65.4° |
| O | C18 | H13 | H14 | 121.0° | 120.0° |
| O | C18 | C19 | H15 | 68.5° | 54.9° |
| C18 | C19 | C23 | C20 | 123.4° | 119.9° |
| C18 | C19 | C23 | H15 | 119.4° | 120.2° |
| C18 | C19 | C20 | H15 | 119.1° | 120.2° |
| C18 | C19 | C20 | C21 | 175.6° | 177.5° |
| C18 | C19 | C23 | C22 | 176.3° | 177.5° |
| C19 | C18 | H13 | H14 | 121.0° | 120.1° |
| C18 | C19 | C20 | H17 | 55.8° | 62.5° |
| C18 | C19 | C20 | H18 | 64.5° | 57.5° |
| C18 | C19 | C23 | H23 | 63.8° | 57.6° |
| C18 | C19 | C23 | H24 | 56.4° | 62.5° |
| C23 | C19 | C20 | H15 | 117.3° | 119.9° |
| C23 | C19 | C20 | C21 | 60.7° | 57.7° |
| C19 | C23 | C22 | H23 | 119.9° | 119.9° |
| C19 | C23 | C22 | H24 | 119.9° | 120.0° |
| C19 | C23 | C22 | N1 | 59.2° | 59.2° |
| C23 | C19 | C18 | H13 | 170.5° | 65.0° |
| C23 | C19 | C18 | H14 | 68.8° | 55.0° |
| C23 | C19 | C20 | H17 | 179.4° | 177.6° |
| C23 | C19 | C20 | H18 | 59.1° | 62.4° |
| C19 | C23 | C22 | H21 | 179.5° | 60.9° |
| C19 | C23 | C22 | H22 | 61.1° | 179.2° |
| C19 | C23 | H23 | H24 | 120.4° | 120.1° |
| C19 | C20 | C21 | H17 | 119.9° | 119.9° |
| C19 | C20 | C21 | H18 | 119.8° | 120.0° |
| C19 | C20 | C21 | N1 | 59.7° | 59.2° |
| C20 | C19 | C23 | C22 | 60.4° | 57.7° |
| C20 | C19 | C18 | H13 | 67.9° | 54.6° |
| C20 | C19 | C18 | H14 | 52.8° | 174.7° |
| C19 | C20 | H17 | H18 | 120.5° | 120.1° |
| C19 | C20 | C21 | H19 | 60.5° | 179.2° |
| C19 | C20 | C21 | H20 | 179.9° | 60.8° |
| C20 | C19 | C23 | H23 | 59.5° | 62.3° |
| C20 | C19 | C23 | H24 | 179.8° | 177.6° |
| C20 | C21 | N1 | H19 | 120.2° | 120.0° |
| C20 | C21 | N1 | H20 | 120.2° | 120.0° |
| C20 | C21 | N1 | C22 | 58.2° | 61.7° |
| C20 | C21 | N1 | H3 | 178.4° | 174.2° |
| C21 | C20 | C19 | H15 | 56.5° | 62.2° |
| C21 | C20 | H17 | H18 | 120.5° | 120.1° |
| C20 | C21 | H19 | H20 | 119.4° | 120.0° |
| C21 | N1 | C22 | C23 | 58.0° | 61.7° |
| C21 | N1 | C22 | H3 | 120.2° | 124.1° |
| N1 | C21 | C20 | H17 | 179.5° | 179.1° |
| N1 | C21 | C20 | H18 | 60.2° | 60.8° |
| N1 | C21 | H19 | H20 | 119.4° | 119.9° |
| C21 | N1 | C22 | H21 | 178.2° | 58.3° |
| C21 | N1 | C22 | H22 | 62.3° | 178.3° |
| C23 | C22 | N1 | H21 | 120.3° | 120.1° |
| C23 | C22 | N1 | H22 | 120.3° | 120.0° |
| C23 | C22 | N1 | H3 | 178.1° | 174.1° |
| C22 | C23 | C19 | H15 | 56.9° | 62.3° |
| C23 | C22 | H21 | H22 | 119.2° | 119.9° |
| C22 | C23 | H23 | H24 | 120.4° | 120.1° |
| C22 | N1 | C21 | H19 | 62.0° | 178.3° |
| C22 | N1 | C21 | H20 | 178.4° | 58.3° |
| N1 | C22 | H21 | H22 | 119.2° | 120.0° |
| N1 | C22 | C23 | H23 | 60.7° | 60.7° |
| N1 | C22 | C23 | H24 | 179.1° | 179.1° |
| H1 | C4 | C5 | H2 | 0.9° | 0.1° |
| H3 | N1 | C21 | H19 | 58.2° | 54.1° |
| H3 | N1 | C21 | H20 | 61.4° | 65.8° |
| H3 | N1 | C22 | H21 | 61.6° | 65.8° |
| H3 | N1 | C22 | H22 | 57.9° | 54.2° |
| H5 | C10 | C11 | H6 | 0.7° | 0.0° |
| H7 | C14 | C15 | H8 | 0.0° | 0.3° |
| H9 | C | H10 | H11 | 120.0° | 119.9° |
| H13 | C18 | C19 | H15 | 51.1° | 174.9° |
| H14 | C18 | C19 | H15 | 171.8° | 65.1° |
| H15 | C19 | C20 | H17 | 63.3° | 57.7° |
| H15 | C19 | C20 | H18 | 176.4° | 177.7° |
| H15 | C19 | C23 | H23 | 176.8° | 177.8° |
| H15 | C19 | C23 | H24 | 63.0° | 57.7° |
| H16 | C2 | C3 | H26 | 1.0° | 0.5° |
| H17 | C20 | C21 | H19 | 59.3° | 60.8° |
| H17 | C20 | C21 | H20 | 60.3° | 59.1° |
| H18 | C20 | C21 | H19 | 179.6° | 59.2° |
| H18 | C20 | C21 | H20 | 60.0° | 179.2° |
| H21 | C22 | C23 | H23 | 59.6° | 179.2° |
| H21 | C22 | C23 | H24 | 60.6° | 59.1° |
| H22 | C22 | C23 | H23 | 179.1° | 59.3° |
| H22 | C22 | C23 | H24 | 58.8° | 60.9° |
