7JS
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C17 | N8 | doub | 1.31Å | 1.34Å | Aromatic |
| C17 | C18 | sing | 1.39Å | 1.41Å | Aromatic |
| N8 | C3 | sing | 1.34Å | 1.38Å | Aromatic |
| C18 | C16 | doub | 1.37Å | 1.40Å | Aromatic |
| O11 | C2 | sing | 1.36Å | 1.35Å | |
| C3 | C2 | doub | 1.41Å | 1.40Å | Aromatic |
| C3 | C5 | sing | 1.42Å | 1.40Å | Aromatic |
| C16 | C5 | sing | 1.41Å | 1.41Å | Aromatic |
| C2 | C4 | sing | 1.36Å | 1.38Å | Aromatic |
| C5 | C6 | doub | 1.40Å | 1.41Å | Aromatic |
| C4 | C1 | doub | 1.40Å | 1.40Å | Aromatic |
| C6 | C1 | sing | 1.38Å | 1.39Å | Aromatic |
| C1 | C7 | sing | 1.48Å | 1.48Å | |
| C10 | C7 | doub | 1.39Å | 1.38Å | Aromatic |
| C10 | C14 | sing | 1.38Å | 1.38Å | Aromatic |
| C7 | C9 | sing | 1.39Å | 1.39Å | Aromatic |
| C14 | C12 | doub | 1.38Å | 1.37Å | Aromatic |
| C9 | C13 | doub | 1.38Å | 1.41Å | Aromatic |
| C12 | C13 | sing | 1.39Å | 1.37Å | Aromatic |
| C12 | F15 | sing | 1.35Å | 1.34Å | |
| C4 | H1 | sing | 1.08Å | 1.08Å | |
| C6 | H2 | sing | 1.08Å | 1.08Å | |
| C10 | H3 | sing | 1.08Å | 1.08Å | |
| C13 | H4 | sing | 1.08Å | 1.08Å | |
| C17 | H5 | sing | 1.08Å | 1.08Å | |
| C9 | H6 | sing | 1.08Å | 1.08Å | |
| C14 | H7 | sing | 1.08Å | 1.08Å | |
| O11 | H8 | sing | 0.97Å | 0.95Å | |
| C16 | H9 | sing | 1.08Å | 1.08Å | |
| C18 | H10 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N8 | C17 | C18 | 122.3° | 121.8° |
| C17 | N8 | C3 | 119.7° | 121.4° |
| N8 | C17 | H5 | 118.8° | 119.1° |
| C17 | C18 | C16 | 118.8° | 119.9° |
| C18 | C17 | H5 | 118.8° | 119.1° |
| C17 | C18 | H10 | 120.6° | 120.0° |
| N8 | C3 | C2 | 117.2° | 120.9° |
| N8 | C3 | C5 | 120.5° | 119.8° |
| C18 | C16 | C5 | 118.7° | 118.2° |
| C18 | C16 | H9 | 120.7° | 120.8° |
| C16 | C18 | H10 | 120.6° | 120.1° |
| O11 | C2 | C3 | 120.3° | 120.0° |
| O11 | C2 | C4 | 121.2° | 120.0° |
| C2 | O11 | H8 | 109.5° | 114.0° |
| C2 | C3 | C5 | 122.3° | 119.3° |
| C3 | C2 | C4 | 118.5° | 120.0° |
| C3 | C5 | C16 | 119.5° | 119.0° |
| C3 | C5 | C6 | 117.4° | 119.8° |
| C16 | C5 | C6 | 123.0° | 121.2° |
| C5 | C16 | H9 | 120.7° | 121.0° |
| C2 | C4 | C1 | 121.6° | 120.9° |
| C2 | C4 | H1 | 119.2° | 119.5° |
| C5 | C6 | C1 | 121.3° | 119.5° |
| C5 | C6 | H2 | 119.3° | 120.2° |
| C4 | C1 | C6 | 119.0° | 120.5° |
| C4 | C1 | C7 | 119.5° | 119.8° |
| C1 | C4 | H1 | 119.2° | 119.5° |
| C6 | C1 | C7 | 121.6° | 119.7° |
| C1 | C6 | H2 | 119.4° | 120.3° |
| C1 | C7 | C10 | 122.4° | 120.2° |
| C1 | C7 | C9 | 118.6° | 120.1° |
| C7 | C10 | C14 | 123.1° | 119.9° |
| C10 | C7 | C9 | 119.0° | 119.8° |
| C7 | C10 | H3 | 118.5° | 120.0° |
| C10 | C14 | C12 | 116.8° | 120.1° |
| C14 | C10 | H3 | 118.4° | 120.1° |
| C10 | C14 | H7 | 121.6° | 119.9° |
| C7 | C9 | C13 | 118.8° | 119.9° |
| C7 | C9 | H6 | 120.6° | 120.0° |
| C14 | C12 | C13 | 122.8° | 120.2° |
| C14 | C12 | F15 | 119.5° | 119.9° |
| C12 | C14 | H7 | 121.6° | 120.0° |
| C9 | C13 | C12 | 119.5° | 120.1° |
| C9 | C13 | H4 | 120.2° | 119.9° |
| C13 | C9 | H6 | 120.6° | 120.1° |
| C13 | C12 | F15 | 117.6° | 119.9° |
| C12 | C13 | H4 | 120.2° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N8 | C17 | C18 | H5 | 180.0° | 178.6° |
| N8 | C17 | C18 | C16 | 0.7° | 1.0° |
| C17 | N8 | C3 | C2 | 176.7° | 179.3° |
| C17 | N8 | C3 | C5 | 2.3° | 0.7° |
| N8 | C17 | C18 | H10 | 179.4° | 180.0° |
| C18 | C17 | N8 | C3 | 4.5° | 1.3° |
| C17 | C18 | C16 | H10 | 180.0° | 179.0° |
| C17 | C18 | C16 | C5 | 5.2° | 0.0° |
| C17 | C18 | C16 | H9 | 174.8° | 180.0° |
| N8 | C3 | C2 | O11 | 0.6° | 0.0° |
| N8 | C3 | C2 | C5 | 178.9° | 180.0° |
| N8 | C3 | C5 | C16 | 3.6° | 0.3° |
| N8 | C3 | C2 | C4 | 179.6° | 180.0° |
| N8 | C3 | C5 | C6 | 180.0° | 179.7° |
| C3 | N8 | C17 | H5 | 175.5° | 180.0° |
| C18 | C16 | C5 | C3 | 7.3° | 0.6° |
| C18 | C16 | C5 | H9 | 180.0° | 180.0° |
| C18 | C16 | C5 | C6 | 176.5° | 180.0° |
| C16 | C18 | C17 | H5 | 179.3° | 179.7° |
| O11 | C2 | C3 | C4 | 179.0° | 180.0° |
| O11 | C2 | C3 | C5 | 179.6° | 180.0° |
| O11 | C2 | C4 | C1 | 179.5° | 180.0° |
| O11 | C2 | C4 | H1 | 0.5° | 0.4° |
| C2 | C3 | C5 | C16 | 177.5° | 179.7° |
| C2 | C3 | C5 | C6 | 1.1° | 0.3° |
| C3 | C2 | C4 | C1 | 0.5° | 0.0° |
| C3 | C2 | C4 | H1 | 179.5° | 179.7° |
| C3 | C2 | O11 | H8 | 180.0° | 90.0° |
| C3 | C5 | C16 | C6 | 176.2° | 179.4° |
| C5 | C3 | C2 | C4 | 1.5° | 0.0° |
| C3 | C5 | C6 | C1 | 0.3° | 0.6° |
| C3 | C5 | C6 | H2 | 179.7° | 179.5° |
| C3 | C5 | C16 | H9 | 172.7° | 179.4° |
| C16 | C5 | C6 | C1 | 176.0° | 180.0° |
| C16 | C5 | C6 | H2 | 4.0° | 0.0° |
| C5 | C16 | C18 | H10 | 174.8° | 179.0° |
| C2 | C4 | C1 | H1 | 180.0° | 179.6° |
| C2 | C4 | C1 | C6 | 0.8° | 0.4° |
| C2 | C4 | C1 | C7 | 179.6° | 179.7° |
| C4 | C2 | O11 | H8 | 1.1° | 90.0° |
| C5 | C6 | C1 | C4 | 1.2° | 0.7° |
| C5 | C6 | C1 | H2 | 180.0° | 179.9° |
| C5 | C6 | C1 | C7 | 179.2° | 179.4° |
| C6 | C5 | C16 | H9 | 3.5° | 0.0° |
| C4 | C1 | C6 | C7 | 179.6° | 179.9° |
| C4 | C1 | C7 | C10 | 35.9° | 179.7° |
| C4 | C1 | C7 | C9 | 142.8° | 0.1° |
| C4 | C1 | C6 | H2 | 178.8° | 179.4° |
| C6 | C1 | C7 | C10 | 144.4° | 0.2° |
| C6 | C1 | C7 | C9 | 36.8° | 179.9° |
| C6 | C1 | C4 | H1 | 179.2° | 180.0° |
| C1 | C7 | C10 | C9 | 178.7° | 179.7° |
| C1 | C7 | C10 | C14 | 179.3° | 179.8° |
| C1 | C7 | C9 | C13 | 179.0° | 179.7° |
| C7 | C1 | C4 | H1 | 0.4° | 0.1° |
| C7 | C1 | C6 | H2 | 0.8° | 0.5° |
| C1 | C7 | C10 | H3 | 0.7° | 0.3° |
| C1 | C7 | C9 | H6 | 1.0° | 0.2° |
| C7 | C10 | C14 | H3 | 180.0° | 179.9° |
| C7 | C10 | C14 | C12 | 0.5° | 0.0° |
| C10 | C7 | C9 | C13 | 0.2° | 0.0° |
| C10 | C7 | C9 | H6 | 179.8° | 179.9° |
| C7 | C10 | C14 | H7 | 179.5° | 180.0° |
| C14 | C10 | C7 | C9 | 0.6° | 0.0° |
| C10 | C14 | C12 | H7 | 180.0° | 179.9° |
| C10 | C14 | C12 | C13 | 1.9° | 0.0° |
| C10 | C14 | C12 | F15 | 177.9° | 180.0° |
| C7 | C9 | C13 | H6 | 180.0° | 179.9° |
| C7 | C9 | C13 | C12 | 1.2° | 0.0° |
| C9 | C7 | C10 | H3 | 179.4° | 180.0° |
| C7 | C9 | C13 | H4 | 178.8° | 180.0° |
| C14 | C12 | C13 | C9 | 2.3° | 0.0° |
| C14 | C12 | C13 | F15 | 176.1° | 180.0° |
| C12 | C14 | C10 | H3 | 179.5° | 180.0° |
| C14 | C12 | C13 | H4 | 177.7° | 180.0° |
| C9 | C13 | C12 | H4 | 180.0° | 179.9° |
| C9 | C13 | C12 | F15 | 178.4° | 180.0° |
| C12 | C13 | C9 | H6 | 178.8° | 180.0° |
| C13 | C12 | C14 | H7 | 178.0° | 179.9° |
| F15 | C12 | C13 | H4 | 1.6° | 0.0° |
| F15 | C12 | C14 | H7 | 2.0° | 0.1° |
| H3 | C10 | C14 | H7 | 0.5° | 0.1° |
| H4 | C13 | C9 | H6 | 1.2° | 0.1° |
| H5 | C17 | C18 | H10 | 0.6° | 1.3° |
| H9 | C16 | C18 | H10 | 5.3° | 1.0° |
