6N8
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.38Å | 1.38Å | Aromatic |
| C1 | C6 | doub | 1.38Å | 1.38Å | Aromatic |
| C21 | C20 | sing | 1.38Å | 1.38Å | Aromatic |
| C21 | C22 | doub | 1.38Å | 1.38Å | Aromatic |
| C2 | C3 | doub | 1.38Å | 1.38Å | Aromatic |
| C6 | C5 | sing | 1.38Å | 1.38Å | Aromatic |
| C20 | C19 | doub | 1.38Å | 1.38Å | Aromatic |
| C22 | C23 | sing | 1.38Å | 1.37Å | Aromatic |
| C3 | C4 | sing | 1.38Å | 1.38Å | Aromatic |
| C5 | C4 | doub | 1.38Å | 1.39Å | Aromatic |
| C19 | C18 | sing | 1.38Å | 1.39Å | Aromatic |
| C23 | C18 | doub | 1.38Å | 1.38Å | Aromatic |
| C4 | C7 | sing | 1.51Å | 1.51Å | |
| C18 | C7 | sing | 1.51Å | 1.50Å | |
| C11 | N13 | sing | 1.35Å | 1.38Å | |
| C11 | N10 | sing | 1.35Å | 1.37Å | |
| C11 | O12 | doub | 1.22Å | 1.22Å | |
| C15 | C16 | sing | 1.41Å | 1.51Å | Aromatic |
| C15 | C14 | doub | 1.35Å | 1.51Å | Aromatic |
| C16 | C17 | doub | 1.35Å | 1.51Å | Aromatic |
| C14 | N13 | sing | 1.37Å | 1.43Å | Aromatic |
| C17 | N13 | sing | 1.37Å | 1.44Å | Aromatic |
| C8 | C9 | sing | 1.53Å | 1.51Å | |
| C8 | C7 | sing | 1.53Å | 1.52Å | |
| C9 | N10 | sing | 1.46Å | 1.44Å | |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C21 | H21 | sing | 1.08Å | 1.08Å | |
| C20 | H20 | sing | 1.08Å | 1.08Å | |
| C22 | H22 | sing | 1.08Å | 1.08Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C19 | H19 | sing | 1.08Å | 1.08Å | |
| C23 | H23 | sing | 1.08Å | 1.08Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| N10 | H10 | sing | 0.97Å | 1.00Å | |
| C15 | H15 | sing | 1.08Å | 1.08Å | |
| C16 | H16 | sing | 1.08Å | 1.08Å | |
| C14 | H14 | sing | 1.08Å | 1.08Å | |
| C17 | H17 | sing | 1.08Å | 1.08Å | |
| C8 | H81C | sing | 1.09Å | 1.10Å | |
| C8 | H82C | sing | 1.09Å | 1.10Å | |
| C9 | H91C | sing | 1.09Å | 1.10Å | |
| C9 | H92C | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C6 | 120.0° | 120.0° |
| C1 | C2 | C3 | 119.5° | 120.0° |
| C2 | C1 | H1 | 120.0° | 120.0° |
| C1 | C2 | H2 | 120.2° | 120.0° |
| C1 | C6 | C5 | 119.7° | 120.0° |
| C6 | C1 | H1 | 120.0° | 119.9° |
| C1 | C6 | H6 | 120.1° | 120.0° |
| C20 | C21 | C22 | 120.2° | 120.0° |
| C21 | C20 | C19 | 119.5° | 120.0° |
| C20 | C21 | H21 | 119.9° | 120.0° |
| C21 | C20 | H20 | 120.3° | 120.0° |
| C21 | C22 | C23 | 120.6° | 120.0° |
| C22 | C21 | H21 | 119.9° | 120.0° |
| C21 | C22 | H22 | 119.7° | 120.0° |
| C2 | C3 | C4 | 121.8° | 120.0° |
| C3 | C2 | H2 | 120.2° | 120.0° |
| C2 | C3 | H3 | 119.1° | 120.0° |
| C6 | C5 | C4 | 121.1° | 120.0° |
| C5 | C6 | H6 | 120.2° | 120.0° |
| C6 | C5 | H5 | 119.4° | 120.0° |
| C20 | C19 | C18 | 120.4° | 120.0° |
| C19 | C20 | H20 | 120.2° | 120.0° |
| C20 | C19 | H19 | 119.8° | 120.0° |
| C22 | C23 | C18 | 119.6° | 120.0° |
| C23 | C22 | H22 | 119.7° | 120.0° |
| C22 | C23 | H23 | 120.2° | 120.0° |
| C3 | C4 | C5 | 117.9° | 120.0° |
| C3 | C4 | C7 | 118.8° | 120.0° |
| C4 | C3 | H3 | 119.1° | 120.0° |
| C5 | C4 | C7 | 123.3° | 120.0° |
| C4 | C5 | H5 | 119.4° | 120.0° |
| C19 | C18 | C23 | 119.8° | 120.0° |
| C19 | C18 | C7 | 121.8° | 120.0° |
| C18 | C19 | H19 | 119.8° | 120.0° |
| C23 | C18 | C7 | 118.4° | 120.0° |
| C18 | C23 | H23 | 120.2° | 120.0° |
| C4 | C7 | C18 | 112.5° | 109.5° |
| C4 | C7 | C8 | 114.1° | 109.5° |
| C4 | C7 | H7 | 105.8° | 109.5° |
| C18 | C7 | C8 | 112.1° | 109.5° |
| C18 | C7 | H7 | 105.9° | 109.4° |
| N13 | C11 | N10 | 113.8° | 120.1° |
| N13 | C11 | O12 | 123.1° | 119.9° |
| C11 | N13 | C14 | 124.3° | 125.8° |
| C11 | N13 | C17 | 122.1° | 125.7° |
| N10 | C11 | O12 | 123.1° | 120.0° |
| C11 | N10 | C9 | 123.2° | 120.0° |
| C11 | N10 | H10 | 118.4° | 120.0° |
| C16 | C15 | C14 | 107.0° | 107.6° |
| C15 | C16 | C17 | 107.2° | 107.6° |
| C16 | C15 | H15 | 126.5° | 126.2° |
| C15 | C16 | H16 | 126.4° | 126.2° |
| C15 | C14 | N13 | 106.3° | 108.2° |
| C14 | C15 | H15 | 126.5° | 126.2° |
| C15 | C14 | H14 | 126.9° | 125.9° |
| C16 | C17 | N13 | 106.1° | 108.1° |
| C17 | C16 | H16 | 126.4° | 126.2° |
| C16 | C17 | H17 | 127.0° | 125.9° |
| C14 | N13 | C17 | 113.2° | 108.6° |
| N13 | C14 | H14 | 126.8° | 125.9° |
| N13 | C17 | H17 | 126.9° | 125.9° |
| C9 | C8 | C7 | 113.3° | 109.5° |
| C8 | C9 | N10 | 108.3° | 109.5° |
| C9 | C8 | H81C | 108.5° | 109.5° |
| C9 | C8 | H82C | 108.5° | 109.5° |
| C8 | C9 | H91C | 109.8° | 109.5° |
| C8 | C9 | H92C | 109.7° | 109.4° |
| C8 | C7 | H7 | 105.7° | 109.4° |
| C7 | C8 | H81C | 108.5° | 109.5° |
| C7 | C8 | H82C | 108.5° | 109.4° |
| C9 | N10 | H10 | 118.4° | 120.0° |
| N10 | C9 | H91C | 109.8° | 109.5° |
| N10 | C9 | H92C | 109.8° | 109.5° |
| H81C | C8 | H82C | 109.5° | 109.5° |
| H91C | C9 | H92C | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C6 | H1 | 180.0° | 179.7° |
| C1 | C2 | C3 | H2 | 180.0° | 180.0° |
| C2 | C1 | C6 | C5 | 0.6° | 0.0° |
| C1 | C2 | C3 | C4 | 0.1° | 0.1° |
| C2 | C1 | C6 | H6 | 179.4° | 180.0° |
| C1 | C2 | C3 | H3 | 179.9° | 180.0° |
| C6 | C1 | C2 | C3 | 0.1° | 0.0° |
| C1 | C6 | C5 | H6 | 180.0° | 180.0° |
| C1 | C6 | C5 | C4 | 0.8° | 0.1° |
| C6 | C1 | C2 | H2 | 179.9° | 180.0° |
| C1 | C6 | C5 | H5 | 179.2° | 179.9° |
| C20 | C21 | C22 | H21 | 180.0° | 179.6° |
| C21 | C20 | C19 | H20 | 180.0° | 179.9° |
| C20 | C21 | C22 | C23 | 0.3° | 0.1° |
| C21 | C20 | C19 | C18 | 0.0° | 0.0° |
| C20 | C21 | C22 | H22 | 179.7° | 179.9° |
| C21 | C20 | C19 | H19 | 179.9° | 179.9° |
| C22 | C21 | C20 | C19 | 0.0° | 0.1° |
| C21 | C22 | C23 | H22 | 180.0° | 180.0° |
| C21 | C22 | C23 | C18 | 0.7° | 0.0° |
| C22 | C21 | C20 | H20 | 180.0° | 180.0° |
| C21 | C22 | C23 | H23 | 179.3° | 179.9° |
| C2 | C3 | C4 | H3 | 180.0° | 180.0° |
| C2 | C3 | C4 | C5 | 0.1° | 0.1° |
| C2 | C3 | C4 | C7 | 179.6° | 180.0° |
| C3 | C2 | C1 | H1 | 179.9° | 179.7° |
| C6 | C5 | C4 | C3 | 0.6° | 0.1° |
| C6 | C5 | C4 | H5 | 180.0° | 179.9° |
| C6 | C5 | C4 | C7 | 180.0° | 180.0° |
| C5 | C6 | C1 | H1 | 179.4° | 179.7° |
| C20 | C19 | C18 | H19 | 180.0° | 179.9° |
| C20 | C19 | C18 | C23 | 0.4° | 0.1° |
| C20 | C19 | C18 | C7 | 178.8° | 179.9° |
| C19 | C20 | C21 | H21 | 180.0° | 179.7° |
| C22 | C23 | C18 | C19 | 0.7° | 0.1° |
| C22 | C23 | C18 | H23 | 180.0° | 180.0° |
| C22 | C23 | C18 | C7 | 179.2° | 180.0° |
| C23 | C22 | C21 | H21 | 179.7° | 179.7° |
| C3 | C4 | C5 | C7 | 179.4° | 179.9° |
| C3 | C4 | C7 | C18 | 49.4° | 67.7° |
| C3 | C4 | C7 | C8 | 178.5° | 52.3° |
| C4 | C3 | C2 | H2 | 179.9° | 179.9° |
| C3 | C4 | C5 | H5 | 179.5° | 180.0° |
| C3 | C4 | C7 | H7 | 65.7° | 172.3° |
| C5 | C4 | C7 | C18 | 130.1° | 112.2° |
| C5 | C4 | C7 | C8 | 0.9° | 127.8° |
| C4 | C5 | C6 | H6 | 179.2° | 179.9° |
| C5 | C4 | C3 | H3 | 179.9° | 179.9° |
| C5 | C4 | C7 | H7 | 114.8° | 7.8° |
| C19 | C18 | C23 | C7 | 178.5° | 180.0° |
| C19 | C18 | C7 | C4 | 66.6° | 112.0° |
| C19 | C18 | C7 | C8 | 63.6° | 128.0° |
| C18 | C19 | C20 | H20 | 180.0° | 179.9° |
| C19 | C18 | C23 | H23 | 179.3° | 179.9° |
| C19 | C18 | C7 | H7 | 178.4° | 8.0° |
| C23 | C18 | C7 | C4 | 111.9° | 68.0° |
| C23 | C18 | C7 | C8 | 118.0° | 52.0° |
| C18 | C23 | C22 | H22 | 179.3° | 180.0° |
| C23 | C18 | C19 | H19 | 179.6° | 180.0° |
| C23 | C18 | C7 | H7 | 3.2° | 172.0° |
| C4 | C7 | C18 | C8 | 130.2° | 120.0° |
| C4 | C7 | C18 | H7 | 115.0° | 120.0° |
| C4 | C7 | C8 | C9 | 173.4° | 65.0° |
| C4 | C7 | C8 | H7 | 115.8° | 120.0° |
| C7 | C4 | C3 | H3 | 0.4° | 0.0° |
| C7 | C4 | C5 | H5 | 0.0° | 0.1° |
| C4 | C7 | C8 | H81C | 66.0° | 55.0° |
| C4 | C7 | C8 | H82C | 52.8° | 175.0° |
| C18 | C7 | C8 | C9 | 57.3° | 175.0° |
| C18 | C7 | C8 | H7 | 114.9° | 120.0° |
| C7 | C18 | C19 | H19 | 1.1° | 0.1° |
| C7 | C18 | C23 | H23 | 0.8° | 0.0° |
| C18 | C7 | C8 | H81C | 63.3° | 65.0° |
| C18 | C7 | C8 | H82C | 177.9° | 55.0° |
| N13 | C11 | N10 | O12 | 178.1° | 180.0° |
| C11 | N13 | C14 | C15 | 176.8° | 180.0° |
| C11 | N13 | C17 | C16 | 176.8° | 180.0° |
| C11 | N13 | C14 | C17 | 172.7° | 180.0° |
| N13 | C11 | N10 | C9 | 174.7° | 180.0° |
| N13 | C11 | N10 | H10 | 5.3° | 0.0° |
| C11 | N13 | C14 | H14 | 3.2° | 0.1° |
| C11 | N13 | C17 | H17 | 3.2° | 0.0° |
| N10 | C11 | N13 | C14 | 5.1° | 180.0° |
| N10 | C11 | N13 | C17 | 177.2° | 0.0° |
| C11 | N10 | C9 | C8 | 104.1° | 180.0° |
| C11 | N10 | C9 | H10 | 180.0° | 180.0° |
| C11 | N10 | C9 | H91C | 15.8° | 60.0° |
| C11 | N10 | C9 | H92C | 136.2° | 60.0° |
| O12 | C11 | N13 | C14 | 173.0° | 0.0° |
| O12 | C11 | N13 | C17 | 0.9° | 180.0° |
| O12 | C11 | N10 | C9 | 3.4° | 0.0° |
| O12 | C11 | N10 | H10 | 176.6° | 180.0° |
| C16 | C15 | C14 | H15 | 180.0° | 179.8° |
| C15 | C16 | C17 | H16 | 180.0° | 179.9° |
| C16 | C15 | C14 | N13 | 2.6° | 0.0° |
| C15 | C16 | C17 | N13 | 2.0° | 0.0° |
| C16 | C15 | C14 | H14 | 177.4° | 179.9° |
| C15 | C16 | C17 | H17 | 177.9° | 180.0° |
| C14 | C15 | C16 | C17 | 0.3° | 0.0° |
| C15 | C14 | N13 | H14 | 180.0° | 179.9° |
| C15 | C14 | N13 | C17 | 4.1° | 0.0° |
| C14 | C15 | C16 | H16 | 179.7° | 179.9° |
| C16 | C17 | N13 | C14 | 3.9° | 0.0° |
| C16 | C17 | N13 | H17 | 180.0° | 180.0° |
| C17 | C16 | C15 | H15 | 179.7° | 179.8° |
| N13 | C14 | C15 | H15 | 177.4° | 179.7° |
| C14 | N13 | C17 | H17 | 176.1° | 180.0° |
| N13 | C17 | C16 | H16 | 177.9° | 179.9° |
| C17 | N13 | C14 | H14 | 175.9° | 179.9° |
| C9 | C8 | C7 | H81C | 120.6° | 120.0° |
| C9 | C8 | C7 | H82C | 120.6° | 120.0° |
| C8 | C9 | N10 | H91C | 119.8° | 120.0° |
| C8 | C9 | N10 | H92C | 119.8° | 120.0° |
| C9 | C8 | C7 | H7 | 57.6° | 55.0° |
| C8 | C9 | N10 | H10 | 75.9° | 0.0° |
| C9 | C8 | H81C | H82C | 118.3° | 120.0° |
| C8 | C9 | H91C | H92C | 120.5° | 119.9° |
| C7 | C8 | C9 | N10 | 165.9° | 180.0° |
| C7 | C8 | H81C | H82C | 118.2° | 120.0° |
| C7 | C8 | C9 | H91C | 74.3° | 59.9° |
| C7 | C8 | C9 | H92C | 46.1° | 60.0° |
| N10 | C9 | C8 | H81C | 73.5° | 60.0° |
| N10 | C9 | C8 | H82C | 45.3° | 60.0° |
| N10 | C9 | H91C | H92C | 120.6° | 120.0° |
| H1 | C1 | C2 | H2 | 0.2° | 0.3° |
| H1 | C1 | C6 | H6 | 0.6° | 0.3° |
| H2 | C2 | C3 | H3 | 0.1° | 0.0° |
| H6 | C6 | C5 | H5 | 0.8° | 0.0° |
| H21 | C21 | C20 | H20 | 0.0° | 0.4° |
| H21 | C21 | C22 | H22 | 0.3° | 0.3° |
| H20 | C20 | C19 | H19 | 0.1° | 0.0° |
| H22 | C22 | C23 | H23 | 0.6° | 0.0° |
| H7 | C7 | C8 | H81C | 178.2° | 175.0° |
| H7 | C7 | C8 | H82C | 63.0° | 65.0° |
| H10 | N10 | C9 | H91C | 164.2° | 120.0° |
| H10 | N10 | C9 | H92C | 43.9° | 120.0° |
| H15 | C15 | C16 | H16 | 0.3° | 0.3° |
| H15 | C15 | C14 | H14 | 2.6° | 0.1° |
| H16 | C16 | C17 | H17 | 2.1° | 0.1° |
| H81C | C8 | C9 | H91C | 46.3° | 60.1° |
| H81C | C8 | C9 | H92C | 166.7° | 180.0° |
| H82C | C8 | C9 | H91C | 165.2° | 179.9° |
| H82C | C8 | C9 | H92C | 74.5° | 60.0° |
