7JW
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F18 | C15 | sing | 1.35Å | 1.33Å | |
| C16 | C15 | doub | 1.39Å | 1.39Å | Aromatic |
| C16 | C17 | sing | 1.38Å | 1.40Å | Aromatic |
| C15 | C14 | sing | 1.39Å | 1.38Å | Aromatic |
| C17 | C11 | doub | 1.39Å | 1.40Å | Aromatic |
| C14 | C13 | doub | 1.38Å | 1.40Å | Aromatic |
| C11 | C13 | sing | 1.39Å | 1.40Å | Aromatic |
| C11 | C2 | sing | 1.48Å | 1.42Å | |
| C2 | C3 | doub | 1.38Å | 1.41Å | Aromatic |
| C2 | C1 | sing | 1.40Å | 1.41Å | Aromatic |
| C3 | C6 | sing | 1.40Å | 1.40Å | Aromatic |
| C1 | C4 | doub | 1.36Å | 1.39Å | Aromatic |
| C6 | N7 | doub | 1.34Å | 1.35Å | Aromatic |
| C6 | C5 | sing | 1.42Å | 1.39Å | Aromatic |
| C4 | C5 | sing | 1.41Å | 1.39Å | Aromatic |
| C4 | O12 | sing | 1.36Å | 1.38Å | |
| N7 | C8 | sing | 1.31Å | 1.35Å | Aromatic |
| C5 | N10 | doub | 1.34Å | 1.35Å | Aromatic |
| C8 | C9 | doub | 1.40Å | 1.39Å | Aromatic |
| N10 | C9 | sing | 1.31Å | 1.34Å | Aromatic |
| C8 | 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 | |
| O12 | 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 | 120.4° | 119.9° |
| F18 | C15 | C14 | 119.9° | 119.9° |
| C15 | C16 | C17 | 120.1° | 120.1° |
| C16 | C15 | C14 | 119.7° | 120.2° |
| C15 | C16 | H9 | 119.9° | 120.0° |
| C16 | C17 | C11 | 121.1° | 119.9° |
| C16 | C17 | H3 | 119.4° | 120.1° |
| C17 | C16 | H9 | 120.0° | 119.9° |
| C15 | C14 | C13 | 120.1° | 120.1° |
| C15 | C14 | H8 | 119.9° | 120.0° |
| C17 | C11 | C13 | 117.6° | 119.9° |
| C17 | C11 | C2 | 120.6° | 120.1° |
| C11 | C17 | H3 | 119.4° | 120.1° |
| C14 | C13 | C11 | 121.3° | 119.9° |
| C14 | C13 | H2 | 119.4° | 120.1° |
| C13 | C14 | H8 | 120.0° | 119.9° |
| C13 | C11 | C2 | 121.8° | 120.1° |
| C11 | C13 | H2 | 119.4° | 120.1° |
| C11 | C2 | C3 | 121.8° | 119.7° |
| C11 | C2 | C1 | 120.4° | 119.7° |
| C3 | C2 | C1 | 117.8° | 120.6° |
| C2 | C3 | C6 | 121.2° | 119.6° |
| C2 | C3 | H5 | 119.4° | 120.2° |
| C2 | C1 | C4 | 120.8° | 120.8° |
| C2 | C1 | H4 | 119.6° | 119.6° |
| C3 | C6 | N7 | 121.4° | 121.0° |
| C3 | C6 | C5 | 119.8° | 119.5° |
| C6 | C3 | H5 | 119.4° | 120.2° |
| C1 | C4 | C5 | 120.4° | 120.0° |
| C1 | C4 | O12 | 121.3° | 120.0° |
| C4 | C1 | H4 | 119.6° | 119.7° |
| N7 | C6 | C5 | 118.8° | 119.5° |
| C6 | N7 | C8 | 120.6° | 119.7° |
| C6 | C5 | C4 | 120.0° | 119.5° |
| C6 | C5 | N10 | 120.8° | 119.6° |
| C5 | C4 | O12 | 118.3° | 120.1° |
| C4 | C5 | N10 | 119.2° | 120.9° |
| C4 | O12 | H7 | 109.5° | 114.0° |
| N7 | C8 | C9 | 120.0° | 120.6° |
| N7 | C8 | H1 | 120.0° | 119.6° |
| C5 | N10 | C9 | 119.7° | 119.8° |
| C8 | C9 | N10 | 120.0° | 120.8° |
| C9 | C8 | H1 | 120.0° | 119.7° |
| C8 | C9 | H6 | 120.0° | 119.6° |
| N10 | C9 | H6 | 120.0° | 119.7° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F18 | C15 | C16 | C14 | 178.7° | 180.0° |
| F18 | C15 | C16 | C17 | 179.3° | 179.7° |
| F18 | C15 | C14 | C13 | 179.7° | 179.9° |
| F18 | C15 | C14 | H8 | 0.2° | 0.1° |
| F18 | C15 | C16 | H9 | 0.7° | 0.0° |
| C15 | C16 | C17 | H9 | 180.0° | 179.8° |
| C15 | C16 | C17 | C11 | 0.1° | 0.2° |
| C16 | C15 | C14 | C13 | 1.0° | 0.1° |
| C15 | C16 | C17 | H3 | 179.9° | 179.7° |
| C16 | C15 | C14 | H8 | 179.0° | 179.9° |
| C17 | C16 | C15 | C14 | 0.5° | 0.3° |
| C16 | C17 | C11 | H3 | 180.0° | 180.0° |
| C16 | C17 | C11 | C13 | 0.2° | 0.0° |
| C16 | C17 | C11 | C2 | 179.5° | 180.0° |
| C15 | C14 | C13 | H8 | 180.0° | 179.9° |
| C15 | C14 | C13 | C11 | 0.9° | 0.2° |
| C15 | C14 | C13 | H2 | 179.1° | 179.9° |
| C14 | C15 | C16 | H9 | 179.4° | 179.9° |
| C17 | C11 | C13 | C14 | 0.3° | 0.2° |
| C17 | C11 | C13 | C2 | 179.3° | 180.0° |
| C17 | C11 | C2 | C3 | 36.7° | 180.0° |
| C17 | C11 | C2 | C1 | 141.6° | 0.8° |
| C17 | C11 | C13 | H2 | 179.7° | 180.0° |
| C11 | C17 | C16 | H9 | 179.9° | 180.0° |
| C14 | C13 | C11 | H2 | 180.0° | 179.8° |
| C14 | C13 | C11 | C2 | 179.0° | 179.8° |
| C13 | C11 | C2 | C3 | 144.0° | 0.0° |
| C13 | C11 | C2 | C1 | 37.7° | 179.2° |
| C13 | C11 | C17 | H3 | 179.8° | 180.0° |
| C11 | C13 | C14 | H8 | 179.1° | 179.7° |
| C11 | C2 | C3 | C1 | 178.3° | 179.2° |
| C11 | C2 | C3 | C6 | 179.4° | 180.0° |
| C11 | C2 | C1 | C4 | 178.9° | 179.8° |
| C2 | C11 | C13 | H2 | 1.0° | 0.0° |
| C2 | C11 | C17 | H3 | 0.4° | 0.0° |
| C11 | C2 | C1 | H4 | 1.1° | 0.2° |
| C11 | C2 | C3 | H5 | 0.5° | 0.7° |
| C2 | C3 | C6 | H5 | 180.0° | 179.3° |
| C3 | C2 | C1 | C4 | 0.5° | 0.5° |
| C2 | C3 | C6 | N7 | 179.7° | 179.5° |
| C2 | C3 | C6 | C5 | 1.3° | 0.5° |
| C3 | C2 | C1 | H4 | 179.5° | 179.4° |
| C1 | C2 | C3 | C6 | 1.1° | 0.8° |
| C2 | C1 | C4 | H4 | 180.0° | 180.0° |
| C2 | C1 | C4 | C5 | 0.2° | 0.0° |
| C2 | C1 | C4 | O12 | 179.1° | 179.7° |
| C1 | C2 | C3 | H5 | 178.9° | 180.0° |
| C3 | C6 | N7 | C5 | 179.0° | 180.0° |
| C3 | C6 | C5 | C4 | 1.0° | 0.0° |
| C3 | C6 | N7 | C8 | 179.2° | 180.0° |
| C3 | C6 | C5 | N10 | 179.9° | 180.0° |
| C1 | C4 | C5 | C6 | 0.4° | 0.3° |
| C1 | C4 | C5 | O12 | 179.3° | 179.7° |
| C1 | C4 | C5 | N10 | 179.5° | 179.8° |
| C1 | C4 | O12 | H7 | 180.0° | 90.3° |
| N7 | C6 | C5 | C4 | 180.0° | 179.9° |
| N7 | C6 | C5 | N10 | 0.9° | 0.0° |
| C6 | N7 | C8 | C9 | 0.2° | 0.1° |
| C6 | N7 | C8 | H1 | 179.8° | 180.0° |
| N7 | C6 | C3 | H5 | 0.3° | 0.3° |
| C6 | C5 | C4 | N10 | 179.1° | 179.9° |
| C6 | C5 | C4 | O12 | 178.9° | 180.0° |
| C5 | C6 | N7 | C8 | 0.3° | 0.0° |
| C6 | C5 | N10 | C9 | 1.1° | 0.1° |
| C5 | C6 | C3 | H5 | 178.7° | 179.7° |
| C4 | C5 | N10 | C9 | 179.8° | 180.0° |
| C5 | C4 | C1 | H4 | 179.8° | 180.0° |
| C5 | C4 | O12 | H7 | 0.7° | 90.0° |
| O12 | C4 | C5 | N10 | 0.3° | 0.1° |
| O12 | C4 | C1 | H4 | 0.9° | 0.3° |
| N7 | C8 | C9 | H1 | 180.0° | 179.9° |
| N7 | C8 | C9 | N10 | 0.0° | 0.1° |
| N7 | C8 | C9 | H6 | 180.0° | 179.9° |
| C5 | N10 | C9 | C8 | 0.6° | 0.1° |
| C5 | N10 | C9 | H6 | 179.3° | 179.9° |
| C8 | C9 | N10 | H6 | 180.0° | 180.0° |
| N10 | C9 | C8 | H1 | 180.0° | 180.0° |
| H1 | C8 | C9 | H6 | 0.0° | 0.0° |
| H2 | C13 | C14 | H8 | 0.9° | 0.1° |
| H3 | C17 | C16 | H9 | 0.1° | 0.0° |
