7JU
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F19 | C16 | sing | 1.35Å | 1.37Å | |
| C17 | C16 | doub | 1.39Å | 1.36Å | Aromatic |
| C17 | C18 | sing | 1.38Å | 1.38Å | Aromatic |
| C16 | C15 | sing | 1.39Å | 1.35Å | Aromatic |
| C18 | C8 | doub | 1.39Å | 1.41Å | Aromatic |
| C15 | C14 | doub | 1.38Å | 1.39Å | Aromatic |
| C8 | C14 | sing | 1.39Å | 1.41Å | Aromatic |
| C8 | C2 | sing | 1.48Å | 1.49Å | |
| C2 | C3 | doub | 1.39Å | 1.39Å | Aromatic |
| C2 | C1 | sing | 1.40Å | 1.41Å | Aromatic |
| F20 | C1 | sing | 1.35Å | 1.34Å | |
| C3 | C4 | sing | 1.39Å | 1.42Å | Aromatic |
| C1 | C6 | doub | 1.38Å | 1.39Å | Aromatic |
| C4 | C9 | sing | 1.47Å | 1.43Å | |
| C4 | C5 | doub | 1.41Å | 1.40Å | Aromatic |
| C6 | C5 | sing | 1.40Å | 1.39Å | Aromatic |
| C6 | O7 | sing | 1.36Å | 1.35Å | |
| O13 | C9 | doub | 1.22Å | 1.28Å | |
| C9 | N10 | sing | 1.35Å | 1.36Å | |
| C5 | N12 | sing | 1.36Å | 1.38Å | |
| N10 | C11 | sing | 1.36Å | 1.38Å | |
| N12 | C11 | doub | 1.30Å | 1.29Å | |
| O7 | H1 | sing | 0.97Å | 0.95Å | |
| C11 | H2 | sing | 1.08Å | 1.08Å | |
| N10 | H3 | sing | 0.97Å | 1.00Å | |
| C3 | H4 | sing | 1.08Å | 1.08Å | |
| C18 | H5 | sing | 1.08Å | 1.08Å | |
| C17 | H6 | sing | 1.08Å | 1.08Å | |
| C15 | H7 | sing | 1.08Å | 1.08Å | |
| C14 | H8 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F19 | C16 | C17 | 119.0° | 119.9° |
| F19 | C16 | C15 | 117.4° | 119.9° |
| C16 | C17 | C18 | 119.2° | 120.1° |
| C17 | C16 | C15 | 123.5° | 120.2° |
| C16 | C17 | H6 | 120.4° | 120.0° |
| C17 | C18 | C8 | 119.0° | 119.9° |
| C17 | C18 | H5 | 120.5° | 120.0° |
| C18 | C17 | H6 | 120.4° | 119.9° |
| C16 | C15 | C14 | 118.7° | 120.1° |
| C16 | C15 | H7 | 120.6° | 119.9° |
| C18 | C8 | C14 | 119.8° | 119.8° |
| C18 | C8 | C2 | 119.3° | 120.1° |
| C8 | C18 | H5 | 120.5° | 120.1° |
| C15 | C14 | C8 | 119.5° | 119.9° |
| C14 | C15 | H7 | 120.7° | 119.9° |
| C15 | C14 | H8 | 120.3° | 120.1° |
| C14 | C8 | C2 | 120.8° | 120.1° |
| C8 | C14 | H8 | 120.2° | 120.1° |
| C8 | C2 | C3 | 120.3° | 119.9° |
| C8 | C2 | C1 | 122.0° | 119.8° |
| C3 | C2 | C1 | 117.7° | 120.3° |
| C2 | C3 | C4 | 119.8° | 119.5° |
| C2 | C3 | H4 | 120.1° | 120.2° |
| C2 | C1 | F20 | 118.9° | 119.7° |
| C2 | C1 | C6 | 123.6° | 120.6° |
| F20 | C1 | C6 | 117.5° | 119.7° |
| C3 | C4 | C9 | 122.8° | 121.7° |
| C3 | C4 | C5 | 120.4° | 120.3° |
| C4 | C3 | H4 | 120.1° | 120.3° |
| C1 | C6 | C5 | 117.6° | 119.8° |
| C1 | C6 | O7 | 122.0° | 120.1° |
| C9 | C4 | C5 | 116.7° | 118.0° |
| C4 | C9 | O13 | 123.6° | 121.3° |
| C4 | C9 | N10 | 117.9° | 117.4° |
| C4 | C5 | C6 | 120.9° | 119.5° |
| C4 | C5 | N12 | 123.0° | 119.0° |
| C5 | C6 | O7 | 120.4° | 120.1° |
| C6 | C5 | N12 | 116.1° | 121.5° |
| C6 | O7 | H1 | 109.5° | 114.0° |
| O13 | C9 | N10 | 118.5° | 121.3° |
| C9 | N10 | C11 | 121.1° | 120.6° |
| C9 | N10 | H3 | 119.4° | 119.7° |
| C5 | N12 | C11 | 117.9° | 121.7° |
| N10 | C11 | N12 | 123.2° | 123.3° |
| N10 | C11 | H2 | 118.4° | 118.4° |
| C11 | N10 | H3 | 119.4° | 119.7° |
| N12 | C11 | H2 | 118.4° | 118.3° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F19 | C16 | C17 | C15 | 175.5° | 180.0° |
| F19 | C16 | C17 | C18 | 179.1° | 180.0° |
| F19 | C16 | C15 | C14 | 179.1° | 179.9° |
| F19 | C16 | C17 | H6 | 0.9° | 0.0° |
| F19 | C16 | C15 | H7 | 0.9° | 0.0° |
| C16 | C17 | C18 | H6 | 180.0° | 180.0° |
| C16 | C17 | C18 | C8 | 3.2° | 0.0° |
| C17 | C16 | C15 | C14 | 5.4° | 0.1° |
| C16 | C17 | C18 | H5 | 176.8° | 180.0° |
| C17 | C16 | C15 | H7 | 174.6° | 180.0° |
| C18 | C17 | C16 | C15 | 5.4° | 0.0° |
| C17 | C18 | C8 | H5 | 180.0° | 180.0° |
| C17 | C18 | C8 | C14 | 1.3° | 0.0° |
| C17 | C18 | C8 | C2 | 179.0° | 179.7° |
| C16 | C15 | C14 | H7 | 180.0° | 180.0° |
| C16 | C15 | C14 | C8 | 3.2° | 0.0° |
| C15 | C16 | C17 | H6 | 174.6° | 180.0° |
| C16 | C15 | C14 | H8 | 176.8° | 179.7° |
| C18 | C8 | C14 | C15 | 1.3° | 0.0° |
| C18 | C8 | C14 | C2 | 177.6° | 179.7° |
| C18 | C8 | C2 | C3 | 42.5° | 49.8° |
| C18 | C8 | C2 | C1 | 134.3° | 129.8° |
| C8 | C18 | C17 | H6 | 176.8° | 180.0° |
| C18 | C8 | C14 | H8 | 178.7° | 179.7° |
| C15 | C14 | C8 | H8 | 180.0° | 179.7° |
| C15 | C14 | C8 | C2 | 179.0° | 179.7° |
| C14 | C8 | C2 | C3 | 139.9° | 130.0° |
| C14 | C8 | C2 | C1 | 43.4° | 50.5° |
| C14 | C8 | C18 | H5 | 178.7° | 180.0° |
| C8 | C14 | C15 | H7 | 176.8° | 180.0° |
| C8 | C2 | C3 | C1 | 176.9° | 179.5° |
| C8 | C2 | C1 | F20 | 2.7° | 0.2° |
| C8 | C2 | C3 | C4 | 178.2° | 180.0° |
| C8 | C2 | C1 | C6 | 178.1° | 180.0° |
| C8 | C2 | C3 | H4 | 1.8° | 0.2° |
| C2 | C8 | C18 | H5 | 1.0° | 0.3° |
| C2 | C8 | C14 | H8 | 1.0° | 0.0° |
| C3 | C2 | C1 | F20 | 179.5° | 179.8° |
| C2 | C3 | C4 | H4 | 180.0° | 179.7° |
| C3 | C2 | C1 | C6 | 1.3° | 0.5° |
| C2 | C3 | C4 | C9 | 176.5° | 179.7° |
| C2 | C3 | C4 | C5 | 0.5° | 0.2° |
| C2 | C1 | F20 | C6 | 179.3° | 179.7° |
| C1 | C2 | C3 | C4 | 1.3° | 0.5° |
| C2 | C1 | C6 | C5 | 0.3° | 0.2° |
| C2 | C1 | C6 | O7 | 177.2° | 179.7° |
| C1 | C2 | C3 | H4 | 178.7° | 179.8° |
| F20 | C1 | C6 | C5 | 179.5° | 180.0° |
| F20 | C1 | C6 | O7 | 2.0° | 0.0° |
| C3 | C4 | C9 | C5 | 177.1° | 180.0° |
| C3 | C4 | C5 | C6 | 0.6° | 0.1° |
| C3 | C4 | C9 | O13 | 1.7° | 0.0° |
| C3 | C4 | C9 | N10 | 179.9° | 180.0° |
| C3 | C4 | C5 | N12 | 178.1° | 180.0° |
| C1 | C6 | C5 | C4 | 0.6° | 0.1° |
| C1 | C6 | C5 | O7 | 177.5° | 179.9° |
| C1 | C6 | C5 | N12 | 178.1° | 180.0° |
| C1 | C6 | O7 | H1 | 180.0° | 89.9° |
| C9 | C4 | C5 | C6 | 177.7° | 180.0° |
| C4 | C9 | O13 | N10 | 178.3° | 180.0° |
| C9 | C4 | C5 | N12 | 1.0° | 0.0° |
| C4 | C9 | N10 | C11 | 3.0° | 0.0° |
| C4 | C9 | N10 | H3 | 177.0° | 179.9° |
| C9 | C4 | C3 | H4 | 3.5° | 0.0° |
| C4 | C5 | C6 | N12 | 178.8° | 180.0° |
| C4 | C5 | C6 | O7 | 178.2° | 180.0° |
| C5 | C4 | C9 | O13 | 175.4° | 180.0° |
| C5 | C4 | C9 | N10 | 2.9° | 0.0° |
| C4 | C5 | N12 | C11 | 0.9° | 0.0° |
| C5 | C4 | C3 | H4 | 179.5° | 180.0° |
| C6 | C5 | N12 | C11 | 179.7° | 180.0° |
| C5 | C6 | O7 | H1 | 2.6° | 90.0° |
| O7 | C6 | C5 | N12 | 0.6° | 0.1° |
| O13 | C9 | N10 | C11 | 175.4° | 180.0° |
| O13 | C9 | N10 | H3 | 4.6° | 0.0° |
| C9 | N10 | C11 | H3 | 180.0° | 179.9° |
| C9 | N10 | C11 | N12 | 1.1° | 0.0° |
| C9 | N10 | C11 | H2 | 178.9° | 180.0° |
| C5 | N12 | C11 | N10 | 1.0° | 0.0° |
| C5 | N12 | C11 | H2 | 179.0° | 180.0° |
| N10 | C11 | N12 | H2 | 180.0° | 180.0° |
| N12 | C11 | N10 | H3 | 178.9° | 179.9° |
| H2 | C11 | N10 | H3 | 1.1° | 0.1° |
| H5 | C18 | C17 | H6 | 3.2° | 0.0° |
| H7 | C15 | C14 | H8 | 3.2° | 0.3° |
