7JD
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F11 | C8 | sing | 1.35Å | 1.35Å | |
| C9 | C8 | doub | 1.39Å | 1.41Å | Aromatic |
| C9 | C10 | sing | 1.38Å | 1.37Å | Aromatic |
| C8 | C7 | sing | 1.39Å | 1.35Å | Aromatic |
| C10 | C5 | doub | 1.39Å | 1.41Å | Aromatic |
| C7 | C6 | doub | 1.38Å | 1.38Å | Aromatic |
| C5 | C6 | sing | 1.39Å | 1.41Å | Aromatic |
| C5 | C2 | sing | 1.48Å | 1.47Å | |
| C2 | C1 | doub | 1.39Å | 1.39Å | Aromatic |
| C2 | C3 | sing | 1.40Å | 1.47Å | Aromatic |
| C1 | C13 | sing | 1.39Å | 1.44Å | Aromatic |
| C3 | C4 | doub | 1.38Å | 1.38Å | Aromatic |
| C13 | C18 | sing | 1.47Å | 1.47Å | |
| C13 | C14 | doub | 1.41Å | 1.39Å | Aromatic |
| O19 | C18 | doub | 1.22Å | 1.22Å | |
| C4 | C14 | sing | 1.40Å | 1.38Å | Aromatic |
| C4 | O12 | sing | 1.36Å | 1.32Å | |
| C18 | N17 | sing | 1.35Å | 1.39Å | |
| C14 | N15 | sing | 1.36Å | 1.42Å | |
| N17 | C16 | sing | 1.36Å | 1.34Å | |
| N15 | C16 | doub | 1.30Å | 1.33Å | |
| C6 | H1 | sing | 1.08Å | 1.08Å | |
| C7 | H2 | sing | 1.08Å | 1.08Å | |
| C10 | 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 | |
| O12 | H7 | sing | 0.97Å | 0.95Å | |
| C16 | H8 | sing | 1.08Å | 1.08Å | |
| N17 | H9 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F11 | C8 | C9 | 117.8° | 119.9° |
| F11 | C8 | C7 | 119.5° | 119.9° |
| C8 | C9 | C10 | 116.4° | 120.1° |
| C9 | C8 | C7 | 122.7° | 120.2° |
| C8 | C9 | H6 | 121.8° | 119.9° |
| C9 | C10 | C5 | 123.8° | 120.0° |
| C9 | C10 | H3 | 118.1° | 120.0° |
| C10 | C9 | H6 | 121.8° | 120.0° |
| C8 | C7 | C6 | 119.4° | 120.1° |
| C8 | C7 | H2 | 120.3° | 120.0° |
| C10 | C5 | C6 | 115.9° | 119.8° |
| C10 | C5 | C2 | 122.7° | 120.1° |
| C5 | C10 | H3 | 118.1° | 120.0° |
| C7 | C6 | C5 | 121.6° | 119.9° |
| C7 | C6 | H1 | 119.2° | 120.1° |
| C6 | C7 | H2 | 120.3° | 119.9° |
| C6 | C5 | C2 | 121.4° | 120.1° |
| C5 | C6 | H1 | 119.2° | 120.0° |
| C5 | C2 | C1 | 118.4° | 119.8° |
| C5 | C2 | C3 | 120.2° | 119.8° |
| C1 | C2 | C3 | 121.4° | 120.4° |
| C2 | C1 | C13 | 117.2° | 119.5° |
| C2 | C1 | H4 | 121.4° | 120.3° |
| C2 | C3 | C4 | 119.4° | 120.6° |
| C2 | C3 | H5 | 120.3° | 119.7° |
| C1 | C13 | C18 | 120.0° | 121.8° |
| C1 | C13 | C14 | 119.9° | 120.3° |
| C13 | C1 | H4 | 121.4° | 120.2° |
| C3 | C4 | C14 | 119.3° | 119.8° |
| C3 | C4 | O12 | 119.9° | 120.1° |
| C4 | C3 | H5 | 120.3° | 119.7° |
| C18 | C13 | C14 | 120.0° | 118.0° |
| C13 | C18 | O19 | 126.6° | 121.3° |
| C13 | C18 | N17 | 114.6° | 117.4° |
| C13 | C14 | C4 | 122.8° | 119.5° |
| C13 | C14 | N15 | 120.6° | 119.0° |
| O19 | C18 | N17 | 118.5° | 121.3° |
| C14 | C4 | O12 | 120.9° | 120.1° |
| C4 | C14 | N15 | 116.6° | 121.5° |
| C4 | O12 | H7 | 109.5° | 114.0° |
| C18 | N17 | C16 | 122.7° | 120.6° |
| C18 | N17 | H9 | 118.6° | 119.7° |
| C14 | N15 | C16 | 117.5° | 121.7° |
| N17 | C16 | N15 | 124.5° | 123.3° |
| N17 | C16 | H8 | 117.8° | 118.3° |
| C16 | N17 | H9 | 118.6° | 119.7° |
| N15 | C16 | H8 | 117.7° | 118.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F11 | C8 | C9 | C7 | 176.6° | 180.0° |
| F11 | C8 | C9 | C10 | 179.1° | 179.8° |
| F11 | C8 | C7 | C6 | 179.5° | 180.0° |
| F11 | C8 | C7 | H2 | 0.5° | 0.0° |
| F11 | C8 | C9 | H6 | 0.9° | 0.0° |
| C8 | C9 | C10 | H6 | 180.0° | 179.8° |
| C8 | C9 | C10 | C5 | 1.7° | 0.5° |
| C9 | C8 | C7 | C6 | 3.0° | 0.0° |
| C9 | C8 | C7 | H2 | 177.0° | 180.0° |
| C8 | C9 | C10 | H3 | 178.3° | 180.0° |
| C10 | C9 | C8 | C7 | 2.5° | 0.2° |
| C9 | C10 | C5 | H3 | 180.0° | 179.5° |
| C9 | C10 | C5 | C6 | 5.0° | 0.5° |
| C9 | C10 | C5 | C2 | 178.0° | 179.7° |
| C8 | C7 | C6 | H2 | 180.0° | 179.9° |
| C8 | C7 | C6 | C5 | 0.6° | 0.0° |
| C8 | C7 | C6 | H1 | 179.4° | 180.0° |
| C7 | C8 | C9 | H6 | 177.5° | 180.0° |
| C10 | C5 | C6 | C7 | 4.4° | 0.2° |
| C10 | C5 | C6 | C2 | 177.0° | 179.8° |
| C10 | C5 | C2 | C1 | 36.5° | 0.3° |
| C10 | C5 | C2 | C3 | 141.5° | 178.9° |
| C10 | C5 | C6 | H1 | 175.6° | 179.7° |
| C5 | C10 | C9 | H6 | 178.3° | 179.7° |
| C7 | C6 | C5 | H1 | 180.0° | 179.9° |
| C7 | C6 | C5 | C2 | 178.6° | 180.0° |
| C6 | C5 | C2 | C1 | 140.3° | 180.0° |
| C6 | C5 | C2 | C3 | 41.7° | 0.8° |
| C5 | C6 | C7 | H2 | 179.4° | 180.0° |
| C6 | C5 | C10 | H3 | 175.0° | 180.0° |
| C5 | C2 | C1 | C3 | 178.0° | 179.2° |
| C5 | C2 | C1 | C13 | 179.3° | 180.0° |
| C5 | C2 | C3 | C4 | 179.9° | 179.8° |
| C2 | C5 | C6 | H1 | 1.5° | 0.0° |
| C2 | C5 | C10 | H3 | 2.0° | 0.2° |
| C5 | C2 | C1 | H4 | 0.7° | 0.5° |
| C5 | C2 | C3 | H5 | 0.1° | 0.3° |
| C2 | C1 | C13 | H4 | 180.0° | 179.5° |
| C1 | C2 | C3 | C4 | 2.0° | 0.6° |
| C2 | C1 | C13 | C18 | 179.6° | 179.5° |
| C2 | C1 | C13 | C14 | 0.5° | 0.5° |
| C1 | C2 | C3 | H5 | 178.0° | 179.5° |
| C3 | C2 | C1 | C13 | 1.3° | 0.8° |
| C2 | C3 | C4 | H5 | 180.0° | 179.9° |
| C2 | C3 | C4 | C14 | 1.7° | 0.0° |
| C2 | C3 | C4 | O12 | 178.2° | 179.7° |
| C3 | C2 | C1 | H4 | 178.7° | 179.7° |
| C1 | C13 | C18 | C14 | 179.9° | 179.9° |
| C1 | C13 | C18 | O19 | 7.0° | 0.1° |
| C1 | C13 | C14 | C4 | 0.3° | 0.0° |
| C1 | C13 | C18 | N17 | 179.3° | 180.0° |
| C1 | C13 | C14 | N15 | 180.0° | 180.0° |
| C3 | C4 | C14 | C13 | 0.9° | 0.2° |
| C3 | C4 | C14 | O12 | 179.9° | 179.8° |
| C3 | C4 | C14 | N15 | 179.4° | 179.8° |
| C3 | C4 | O12 | H7 | 180.0° | 90.2° |
| C13 | C18 | O19 | N17 | 173.5° | 179.9° |
| C18 | C13 | C14 | C4 | 179.8° | 180.0° |
| C18 | C13 | C14 | N15 | 0.1° | 0.1° |
| C13 | C18 | N17 | C16 | 0.4° | 0.1° |
| C18 | C13 | C1 | H4 | 0.4° | 0.0° |
| C13 | C18 | N17 | H9 | 179.7° | 180.0° |
| C14 | C13 | C18 | O19 | 173.1° | 180.0° |
| C13 | C14 | C4 | N15 | 179.7° | 180.0° |
| C13 | C14 | C4 | O12 | 179.0° | 180.0° |
| C14 | C13 | C18 | N17 | 0.6° | 0.1° |
| C13 | C14 | N15 | C16 | 1.9° | 0.0° |
| C14 | C13 | C1 | H4 | 179.5° | 180.0° |
| O19 | C18 | N17 | C16 | 174.6° | 180.0° |
| O19 | C18 | N17 | H9 | 5.4° | 0.1° |
| C4 | C14 | N15 | C16 | 178.5° | 180.0° |
| C14 | C4 | C3 | H5 | 178.3° | 180.0° |
| C14 | C4 | O12 | H7 | 0.1° | 90.0° |
| O12 | C4 | C14 | N15 | 0.7° | 0.0° |
| O12 | C4 | C3 | H5 | 1.8° | 0.2° |
| C18 | N17 | C16 | H9 | 180.0° | 179.9° |
| C18 | N17 | C16 | N15 | 2.3° | 0.0° |
| C18 | N17 | C16 | H8 | 177.8° | 180.0° |
| C14 | N15 | C16 | N17 | 3.0° | 0.0° |
| C14 | N15 | C16 | H8 | 177.1° | 180.0° |
| N17 | C16 | N15 | H8 | 180.0° | 180.0° |
| N15 | C16 | N17 | H9 | 177.8° | 179.9° |
| H1 | C6 | C7 | H2 | 0.6° | 0.1° |
| H3 | C10 | C9 | H6 | 1.7° | 0.2° |
| H8 | C16 | N17 | H9 | 2.2° | 0.1° |
