DN8
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C2 | C1 | doub | 1.38Å | 1.42Å | Aromatic |
| C2 | C3 | sing | 1.38Å | 1.39Å | Aromatic |
| C1 | C6 | sing | 1.38Å | 1.39Å | Aromatic |
| C3 | C4 | doub | 1.40Å | 1.40Å | Aromatic |
| C6 | BR1 | sing | 1.89Å | 1.88Å | |
| C6 | C5 | doub | 1.38Å | 1.40Å | Aromatic |
| C4 | C5 | sing | 1.40Å | 1.39Å | Aromatic |
| C4 | C7 | sing | 1.48Å | 1.51Å | |
| N18 | N19 | sing | 1.41Å | 1.37Å | Aromatic |
| N18 | N17 | doub | 1.29Å | 1.35Å | Aromatic |
| N19 | C15 | sing | 1.36Å | 1.32Å | Aromatic |
| N8 | C7 | sing | 1.35Å | 1.33Å | |
| N8 | C9 | sing | 1.40Å | 1.41Å | |
| C10 | C9 | doub | 1.39Å | 1.40Å | Aromatic |
| C10 | C11 | sing | 1.39Å | 1.41Å | Aromatic |
| C7 | O21 | doub | 1.22Å | 1.24Å | |
| C9 | C14 | sing | 1.39Å | 1.40Å | Aromatic |
| C15 | C11 | sing | 1.48Å | 1.39Å | |
| C15 | N16 | doub | 1.32Å | 1.33Å | Aromatic |
| N17 | N16 | sing | 1.28Å | 1.39Å | Aromatic |
| C11 | C12 | doub | 1.40Å | 1.40Å | Aromatic |
| C14 | C13 | doub | 1.38Å | 1.40Å | Aromatic |
| C12 | C13 | sing | 1.38Å | 1.40Å | Aromatic |
| C3 | H1 | sing | 1.08Å | 1.08Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C5 | H3 | sing | 1.08Å | 1.08Å | |
| C1 | H4 | sing | 1.08Å | 1.08Å | |
| N8 | H5 | sing | 0.97Å | 1.00Å | |
| C14 | H6 | sing | 1.08Å | 1.08Å | |
| C13 | H7 | sing | 1.08Å | 1.08Å | |
| C12 | H8 | sing | 1.08Å | 1.08Å | |
| C10 | H9 | sing | 1.08Å | 1.08Å | |
| N19 | H10 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | C2 | C3 | 119.3° | 120.1° |
| C2 | C1 | C6 | 119.5° | 120.3° |
| C1 | C2 | H2 | 120.3° | 120.0° |
| C2 | C1 | H4 | 120.2° | 119.8° |
| C2 | C3 | C4 | 120.5° | 119.9° |
| C2 | C3 | H1 | 119.7° | 120.0° |
| C3 | C2 | H2 | 120.4° | 119.9° |
| C1 | C6 | BR1 | 119.9° | 120.0° |
| C1 | C6 | C5 | 121.2° | 120.1° |
| C6 | C1 | H4 | 120.2° | 119.9° |
| C3 | C4 | C5 | 120.2° | 119.7° |
| C3 | C4 | C7 | 119.6° | 120.1° |
| C4 | C3 | H1 | 119.7° | 120.1° |
| BR1 | C6 | C5 | 119.0° | 119.9° |
| C6 | C5 | C4 | 119.2° | 119.8° |
| C6 | C5 | H3 | 120.3° | 120.1° |
| C5 | C4 | C7 | 120.2° | 120.2° |
| C4 | C5 | H3 | 120.4° | 120.1° |
| C4 | C7 | N8 | 117.2° | 120.0° |
| C4 | C7 | O21 | 119.1° | 120.0° |
| N19 | N18 | N17 | 106.5° | 106.9° |
| N18 | N19 | C15 | 111.7° | 105.2° |
| N18 | N19 | H10 | 124.2° | 127.4° |
| N18 | N17 | N16 | 105.7° | 110.4° |
| N19 | C15 | C11 | 128.0° | 126.5° |
| N19 | C15 | N16 | 105.5° | 107.0° |
| C15 | N19 | H10 | 124.1° | 127.4° |
| C7 | N8 | C9 | 121.9° | 120.0° |
| N8 | C7 | O21 | 123.7° | 119.9° |
| C7 | N8 | H5 | 119.0° | 120.0° |
| N8 | C9 | C10 | 124.2° | 120.0° |
| N8 | C9 | C14 | 118.9° | 120.0° |
| C9 | N8 | H5 | 119.0° | 120.0° |
| C9 | C10 | C11 | 122.9° | 119.8° |
| C10 | C9 | C14 | 116.9° | 120.0° |
| C9 | C10 | H9 | 118.6° | 120.1° |
| C10 | C11 | C15 | 122.2° | 120.1° |
| C10 | C11 | C12 | 119.6° | 119.8° |
| C11 | C10 | H9 | 118.6° | 120.1° |
| C9 | C14 | C13 | 120.5° | 120.2° |
| C9 | C14 | H6 | 119.7° | 119.9° |
| C11 | C15 | N16 | 126.5° | 126.5° |
| C15 | C11 | C12 | 118.2° | 120.1° |
| C15 | N16 | N17 | 110.6° | 110.5° |
| C11 | C12 | C13 | 117.7° | 120.0° |
| C11 | C12 | H8 | 121.2° | 120.0° |
| C14 | C13 | C12 | 122.5° | 120.2° |
| C13 | C14 | H6 | 119.8° | 119.9° |
| C14 | C13 | H7 | 118.8° | 119.9° |
| C12 | C13 | H7 | 118.7° | 119.9° |
| C13 | C12 | H8 | 121.2° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | C2 | C3 | H2 | 180.0° | 180.0° |
| C2 | C1 | C6 | H4 | 180.0° | 179.7° |
| C1 | C2 | C3 | C4 | 1.6° | 0.0° |
| C2 | C1 | C6 | BR1 | 179.2° | 180.0° |
| C2 | C1 | C6 | C5 | 0.2° | 0.5° |
| C1 | C2 | C3 | H1 | 178.3° | 180.0° |
| C3 | C2 | C1 | C6 | 0.9° | 0.2° |
| C2 | C3 | C4 | H1 | 180.0° | 180.0° |
| C2 | C3 | C4 | C5 | 1.3° | 0.0° |
| C2 | C3 | C4 | C7 | 179.7° | 179.7° |
| C3 | C2 | C1 | H4 | 179.1° | 180.0° |
| C1 | C6 | BR1 | C5 | 179.4° | 179.5° |
| C1 | C6 | C5 | C4 | 0.6° | 0.5° |
| C6 | C1 | C2 | H2 | 179.1° | 179.7° |
| C1 | C6 | C5 | H3 | 179.4° | 179.5° |
| C3 | C4 | C5 | C6 | 0.2° | 0.3° |
| C3 | C4 | C5 | C7 | 179.0° | 179.7° |
| C3 | C4 | C7 | N8 | 2.3° | 0.5° |
| C3 | C4 | C7 | O21 | 177.4° | 179.7° |
| C4 | C3 | C2 | H2 | 178.4° | 180.0° |
| C3 | C4 | C5 | H3 | 179.8° | 179.7° |
| BR1 | C6 | C5 | C4 | 178.8° | 180.0° |
| BR1 | C6 | C5 | H3 | 1.1° | 0.0° |
| BR1 | C6 | C1 | H4 | 0.8° | 0.3° |
| C6 | C5 | C4 | H3 | 180.0° | 180.0° |
| C6 | C5 | C4 | C7 | 179.2° | 180.0° |
| C5 | C6 | C1 | H4 | 179.8° | 179.8° |
| C5 | C4 | C7 | N8 | 176.7° | 179.7° |
| C5 | C4 | C7 | O21 | 3.5° | 0.0° |
| C5 | C4 | C3 | H1 | 178.7° | 180.0° |
| C4 | C7 | N8 | O21 | 179.7° | 179.7° |
| C4 | C7 | N8 | C9 | 161.1° | 174.4° |
| C7 | C4 | C3 | H1 | 0.3° | 0.3° |
| C7 | C4 | C5 | H3 | 0.8° | 0.0° |
| C4 | C7 | N8 | H5 | 18.9° | 5.6° |
| N18 | N19 | C15 | H10 | 180.0° | 180.0° |
| N18 | N19 | C15 | C11 | 179.1° | 179.9° |
| N18 | N19 | C15 | N16 | 1.5° | 0.2° |
| N19 | N18 | N17 | N16 | 1.7° | 0.3° |
| N17 | N18 | N19 | C15 | 2.1° | 0.1° |
| N18 | N17 | N16 | C15 | 0.8° | 0.4° |
| N17 | N18 | N19 | H10 | 177.9° | 179.9° |
| N19 | C15 | C11 | C10 | 8.1° | 179.5° |
| N19 | C15 | C11 | N16 | 177.1° | 179.7° |
| N19 | C15 | N16 | N17 | 0.4° | 0.4° |
| N19 | C15 | C11 | C12 | 173.9° | 0.3° |
| C7 | N8 | C9 | H5 | 180.0° | 180.0° |
| C7 | N8 | C9 | C10 | 133.8° | 33.6° |
| C7 | N8 | C9 | C14 | 48.4° | 146.8° |
| N8 | C9 | C10 | C14 | 177.8° | 179.7° |
| N8 | C9 | C10 | C11 | 178.0° | 179.7° |
| C9 | N8 | C7 | O21 | 19.2° | 5.3° |
| N8 | C9 | C14 | C13 | 179.5° | 180.0° |
| N8 | C9 | C14 | H6 | 0.5° | 0.0° |
| N8 | C9 | C10 | H9 | 2.0° | 0.0° |
| C9 | C10 | C11 | H9 | 180.0° | 179.7° |
| C9 | C10 | C11 | C15 | 179.3° | 179.7° |
| C9 | C10 | C11 | C12 | 1.3° | 0.6° |
| C10 | C9 | C14 | C13 | 1.6° | 0.3° |
| C10 | C9 | N8 | H5 | 46.1° | 146.4° |
| C10 | C9 | C14 | H6 | 178.4° | 179.7° |
| C11 | C10 | C9 | C14 | 0.2° | 0.6° |
| C10 | C11 | C15 | C12 | 178.0° | 179.8° |
| C10 | C11 | C15 | N16 | 174.9° | 0.2° |
| C10 | C11 | C12 | C13 | 1.3° | 0.3° |
| C10 | C11 | C12 | H8 | 178.7° | 179.7° |
| O21 | C7 | N8 | H5 | 160.9° | 174.7° |
| C9 | C14 | C13 | H6 | 180.0° | 180.0° |
| C9 | C14 | C13 | C12 | 1.6° | 0.0° |
| C14 | C9 | N8 | H5 | 131.6° | 33.2° |
| C9 | C14 | C13 | H7 | 178.4° | 180.0° |
| C14 | C9 | C10 | H9 | 179.8° | 179.7° |
| C11 | C15 | N16 | N17 | 178.0° | 179.9° |
| C15 | C11 | C12 | C13 | 179.4° | 180.0° |
| C15 | C11 | C12 | H8 | 0.6° | 0.0° |
| C15 | C11 | C10 | H9 | 0.7° | 0.0° |
| C11 | C15 | N19 | H10 | 0.9° | 0.0° |
| N16 | C15 | C11 | C12 | 3.2° | 180.0° |
| N16 | C15 | N19 | H10 | 178.4° | 179.8° |
| C11 | C12 | C13 | C14 | 0.1° | 0.1° |
| C11 | C12 | C13 | H8 | 180.0° | 180.0° |
| C11 | C12 | C13 | H7 | 179.9° | 180.0° |
| C12 | C11 | C10 | H9 | 178.8° | 179.7° |
| C14 | C13 | C12 | H7 | 180.0° | 179.9° |
| C14 | C13 | C12 | H8 | 179.9° | 180.0° |
| C12 | C13 | C14 | H6 | 178.4° | 179.9° |
| H1 | C3 | C2 | H2 | 1.7° | 0.0° |
| H2 | C2 | C1 | H4 | 0.9° | 0.0° |
| H6 | C14 | C13 | H7 | 1.6° | 0.0° |
| H7 | C13 | C12 | H8 | 0.1° | 0.0° |
