7JQ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F18 | C15 | sing | 1.35Å | 1.39Å | |
| C16 | C15 | doub | 1.39Å | 1.35Å | Aromatic |
| C16 | C17 | sing | 1.38Å | 1.40Å | Aromatic |
| C15 | C14 | sing | 1.39Å | 1.38Å | Aromatic |
| C17 | C12 | doub | 1.39Å | 1.36Å | Aromatic |
| C14 | C13 | doub | 1.38Å | 1.38Å | Aromatic |
| C12 | C13 | sing | 1.39Å | 1.37Å | Aromatic |
| C12 | C8 | sing | 1.48Å | 1.49Å | |
| C8 | C7 | doub | 1.38Å | 1.36Å | Aromatic |
| C8 | C9 | sing | 1.40Å | 1.43Å | Aromatic |
| C7 | C4 | sing | 1.40Å | 1.43Å | Aromatic |
| C9 | C10 | doub | 1.36Å | 1.40Å | Aromatic |
| C4 | C3 | doub | 1.41Å | 1.44Å | Aromatic |
| C4 | C5 | sing | 1.42Å | 1.42Å | Aromatic |
| C10 | C5 | sing | 1.41Å | 1.40Å | Aromatic |
| C10 | O11 | sing | 1.36Å | 1.33Å | |
| C3 | N2 | sing | 1.32Å | 1.34Å | Aromatic |
| C5 | N6 | doub | 1.34Å | 1.37Å | Aromatic |
| N2 | C1 | doub | 1.33Å | 1.39Å | Aromatic |
| N6 | C1 | sing | 1.31Å | 1.30Å | Aromatic |
| C7 | H1 | sing | 1.08Å | 1.08Å | |
| C13 | H2 | sing | 1.08Å | 1.08Å | |
| C17 | H3 | sing | 1.08Å | 1.08Å | |
| C1 | H4 | sing | 1.08Å | 1.08Å | |
| C3 | H5 | sing | 1.08Å | 1.08Å | |
| C9 | H6 | sing | 1.08Å | 1.08Å | |
| O11 | H7 | sing | 0.97Å | 0.95Å | |
| C14 | H8 | sing | 1.08Å | 1.08Å | |
| C16 | H9 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F18 | C15 | C16 | 118.0° | 119.9° |
| F18 | C15 | C14 | 119.7° | 119.9° |
| C15 | C16 | C17 | 119.1° | 120.1° |
| C16 | C15 | C14 | 122.2° | 120.2° |
| C15 | C16 | H9 | 120.5° | 119.9° |
| C16 | C17 | C12 | 120.4° | 119.9° |
| C16 | C17 | H3 | 119.8° | 120.0° |
| C17 | C16 | H9 | 120.4° | 120.0° |
| C15 | C14 | C13 | 117.0° | 120.1° |
| C15 | C14 | H8 | 121.5° | 119.9° |
| C17 | C12 | C13 | 118.7° | 119.8° |
| C17 | C12 | C8 | 120.0° | 120.1° |
| C12 | C17 | H3 | 119.8° | 120.0° |
| C14 | C13 | C12 | 122.6° | 119.9° |
| C14 | C13 | H2 | 118.7° | 120.0° |
| C13 | C14 | H8 | 121.5° | 120.0° |
| C13 | C12 | C8 | 121.2° | 120.1° |
| C12 | C13 | H2 | 118.7° | 120.1° |
| C12 | C8 | C7 | 120.5° | 119.7° |
| C12 | C8 | C9 | 119.1° | 119.7° |
| C7 | C8 | C9 | 120.4° | 120.6° |
| C8 | C7 | C4 | 121.1° | 119.4° |
| C8 | C7 | H1 | 119.4° | 120.3° |
| C8 | C9 | C10 | 119.2° | 120.9° |
| C8 | C9 | H6 | 120.4° | 119.6° |
| C7 | C4 | C3 | 126.0° | 122.0° |
| C7 | C4 | C5 | 118.5° | 119.7° |
| C4 | C7 | H1 | 119.4° | 120.3° |
| C9 | C10 | C5 | 120.9° | 119.8° |
| C9 | C10 | O11 | 117.9° | 120.1° |
| C10 | C9 | H6 | 120.4° | 119.5° |
| C3 | C4 | C5 | 115.3° | 118.3° |
| C4 | C3 | N2 | 123.2° | 118.4° |
| C4 | C3 | H5 | 118.4° | 120.8° |
| C4 | C5 | C10 | 119.7° | 119.5° |
| C4 | C5 | N6 | 122.2° | 118.6° |
| C5 | C10 | O11 | 121.0° | 120.1° |
| C10 | C5 | N6 | 117.8° | 121.9° |
| C10 | O11 | H7 | 109.5° | 114.0° |
| C3 | N2 | C1 | 113.7° | 121.6° |
| N2 | C3 | H5 | 118.4° | 120.8° |
| C5 | N6 | C1 | 115.3° | 120.4° |
| N2 | C1 | N6 | 129.9° | 122.8° |
| N2 | C1 | H4 | 115.0° | 118.5° |
| N6 | C1 | H4 | 115.0° | 118.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F18 | C15 | C16 | C14 | 175.2° | 179.9° |
| F18 | C15 | C16 | C17 | 178.2° | 179.7° |
| F18 | C15 | C14 | C13 | 178.5° | 179.9° |
| F18 | C15 | C14 | H8 | 1.5° | 0.0° |
| F18 | C15 | C16 | H9 | 1.8° | 0.1° |
| C15 | C16 | C17 | H9 | 180.0° | 179.8° |
| C15 | C16 | C17 | C12 | 0.9° | 0.2° |
| C16 | C15 | C14 | C13 | 3.4° | 0.0° |
| C15 | C16 | C17 | H3 | 179.1° | 179.7° |
| C16 | C15 | C14 | H8 | 176.7° | 180.0° |
| C17 | C16 | C15 | C14 | 3.0° | 0.2° |
| C16 | C17 | C12 | H3 | 180.0° | 180.0° |
| C16 | C17 | C12 | C13 | 0.5° | 0.0° |
| C16 | C17 | C12 | C8 | 178.4° | 180.0° |
| C15 | C14 | C13 | H8 | 180.0° | 180.0° |
| C15 | C14 | C13 | C12 | 1.8° | 0.2° |
| C15 | C14 | C13 | H2 | 178.1° | 180.0° |
| C14 | C15 | C16 | H9 | 177.0° | 180.0° |
| C17 | C12 | C13 | C14 | 0.0° | 0.2° |
| C17 | C12 | C13 | C8 | 177.9° | 180.0° |
| C17 | C12 | C8 | C7 | 35.8° | 180.0° |
| C17 | C12 | C8 | C9 | 143.4° | 0.0° |
| C17 | C12 | C13 | H2 | 180.0° | 180.0° |
| C12 | C17 | C16 | H9 | 179.1° | 180.0° |
| C14 | C13 | C12 | H2 | 180.0° | 179.8° |
| C14 | C13 | C12 | C8 | 177.9° | 179.7° |
| C13 | C12 | C8 | C7 | 146.3° | 0.0° |
| C13 | C12 | C8 | C9 | 34.5° | 180.0° |
| C13 | C12 | C17 | H3 | 179.5° | 180.0° |
| C12 | C13 | C14 | H8 | 178.2° | 179.7° |
| C12 | C8 | C7 | C9 | 179.2° | 180.0° |
| C12 | C8 | C7 | C4 | 179.1° | 180.0° |
| C12 | C8 | C9 | C10 | 179.3° | 179.7° |
| C12 | C8 | C7 | H1 | 0.9° | 0.0° |
| C8 | C12 | C13 | H2 | 2.1° | 0.1° |
| C8 | C12 | C17 | H3 | 1.5° | 0.0° |
| C12 | C8 | C9 | H6 | 0.7° | 0.1° |
| C8 | C7 | C4 | H1 | 180.0° | 180.0° |
| C7 | C8 | C9 | C10 | 0.1° | 0.3° |
| C8 | C7 | C4 | C3 | 177.4° | 180.0° |
| C8 | C7 | C4 | C5 | 2.9° | 0.3° |
| C7 | C8 | C9 | H6 | 179.9° | 180.0° |
| C9 | C8 | C7 | C4 | 0.1° | 0.0° |
| C8 | C9 | C10 | H6 | 180.0° | 179.7° |
| C8 | C9 | C10 | C5 | 2.5° | 0.3° |
| C8 | C9 | C10 | O11 | 178.0° | 179.7° |
| C9 | C8 | C7 | H1 | 179.9° | 180.0° |
| C7 | C4 | C3 | C5 | 174.7° | 179.7° |
| C7 | C4 | C5 | C10 | 5.5° | 0.3° |
| C7 | C4 | C3 | N2 | 179.4° | 179.7° |
| C7 | C4 | C5 | N6 | 179.8° | 179.7° |
| C7 | C4 | C3 | H5 | 0.6° | 0.2° |
| C9 | C10 | C5 | C4 | 5.4° | 0.1° |
| C9 | C10 | C5 | O11 | 175.3° | 179.9° |
| C9 | C10 | C5 | N6 | 179.9° | 180.0° |
| C9 | C10 | O11 | H7 | 180.0° | 90.0° |
| C3 | C4 | C5 | C10 | 179.4° | 180.0° |
| C4 | C3 | N2 | H5 | 180.0° | 179.9° |
| C3 | C4 | C5 | N6 | 5.2° | 0.0° |
| C4 | C3 | N2 | C1 | 1.2° | 0.1° |
| C3 | C4 | C7 | H1 | 2.6° | 0.0° |
| C4 | C5 | C10 | N6 | 174.5° | 180.0° |
| C4 | C5 | C10 | O11 | 179.3° | 180.0° |
| C5 | C4 | C3 | N2 | 4.7° | 0.0° |
| C4 | C5 | N6 | C1 | 2.0° | 0.0° |
| C5 | C4 | C7 | H1 | 177.1° | 179.7° |
| C5 | C4 | C3 | H5 | 175.3° | 179.9° |
| C10 | C5 | N6 | C1 | 176.3° | 180.0° |
| C5 | C10 | C9 | H6 | 177.5° | 179.9° |
| C5 | C10 | O11 | H7 | 4.5° | 90.0° |
| O11 | C10 | C5 | N6 | 4.8° | 0.1° |
| O11 | C10 | C9 | H6 | 2.0° | 0.0° |
| C3 | N2 | C1 | N6 | 2.7° | 0.1° |
| C3 | N2 | C1 | H4 | 177.3° | 180.0° |
| C5 | N6 | C1 | N2 | 2.3° | 0.1° |
| C5 | N6 | C1 | H4 | 177.7° | 180.0° |
| N2 | C1 | N6 | H4 | 180.0° | 179.9° |
| C1 | N2 | C3 | H5 | 178.9° | 180.0° |
| H2 | C13 | C14 | H8 | 1.8° | 0.1° |
| H3 | C17 | C16 | H9 | 0.9° | 0.1° |
