1Z8
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F4 | C2 | sing | 1.40Å | 1.34Å | |
| C13 | C12 | doub | 1.38Å | 1.38Å | Aromatic |
| C13 | C14 | sing | 1.38Å | 1.38Å | Aromatic |
| C12 | C11 | sing | 1.39Å | 1.39Å | Aromatic |
| F1 | C2 | sing | 1.40Å | 1.26Å | |
| C14 | C15 | doub | 1.38Å | 1.37Å | Aromatic |
| C11 | C10 | sing | 1.48Å | 1.48Å | |
| C11 | C16 | doub | 1.39Å | 1.39Å | Aromatic |
| C10 | C9 | doub | 1.36Å | 1.37Å | Aromatic |
| C10 | C5 | sing | 1.41Å | 1.39Å | Aromatic |
| C9 | N7 | sing | 1.35Å | 1.34Å | Aromatic |
| N7 | N6 | sing | 1.40Å | 1.35Å | Aromatic |
| C5 | C2 | sing | 1.51Å | 1.47Å | |
| C5 | N6 | doub | 1.31Å | 1.33Å | Aromatic |
| C2 | F3 | sing | 1.40Å | 1.32Å | |
| C15 | C16 | sing | 1.38Å | 1.38Å | Aromatic |
| C12 | H18 | sing | 1.08Å | 1.08Å | |
| C13 | H19 | sing | 1.08Å | 1.08Å | |
| C14 | H20 | sing | 1.08Å | 1.08Å | |
| C15 | H21 | sing | 1.08Å | 1.08Å | |
| C16 | H22 | sing | 1.08Å | 1.08Å | |
| N7 | H8 | sing | 0.97Å | 1.00Å | |
| C9 | H17 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F4 | C2 | F1 | 106.1° | 109.5° |
| F4 | C2 | C5 | 112.8° | 109.5° |
| F4 | C2 | F3 | 106.8° | 109.5° |
| C12 | C13 | C14 | 120.1° | 120.1° |
| C13 | C12 | C11 | 120.8° | 119.9° |
| C13 | C12 | H18 | 119.6° | 120.0° |
| C12 | C13 | H19 | 120.0° | 120.0° |
| C13 | C14 | C15 | 120.1° | 120.3° |
| C14 | C13 | H19 | 119.9° | 120.0° |
| C13 | C14 | H20 | 119.9° | 119.9° |
| C12 | C11 | C10 | 120.3° | 120.1° |
| C12 | C11 | C16 | 118.2° | 119.8° |
| C11 | C12 | H18 | 119.6° | 120.1° |
| F1 | C2 | C5 | 111.6° | 109.5° |
| F1 | C2 | F3 | 105.7° | 109.4° |
| C14 | C15 | C16 | 120.2° | 120.1° |
| C15 | C14 | H20 | 119.9° | 119.8° |
| C14 | C15 | H21 | 119.9° | 120.0° |
| C10 | C11 | C16 | 121.5° | 120.1° |
| C11 | C10 | C9 | 124.8° | 126.2° |
| C11 | C10 | C5 | 131.0° | 126.2° |
| C11 | C16 | C15 | 120.6° | 119.9° |
| C11 | C16 | H22 | 119.7° | 120.0° |
| C9 | C10 | C5 | 104.2° | 107.5° |
| C10 | C9 | N7 | 107.1° | 107.6° |
| C10 | C9 | H17 | 126.4° | 126.2° |
| C10 | C5 | C2 | 130.1° | 125.9° |
| C10 | C5 | N6 | 112.4° | 108.1° |
| C9 | N7 | N6 | 112.3° | 108.2° |
| C9 | N7 | H8 | 123.9° | 125.9° |
| N7 | C9 | H17 | 126.4° | 126.2° |
| N7 | N6 | C5 | 104.0° | 108.5° |
| N6 | N7 | H8 | 123.8° | 125.9° |
| C2 | C5 | N6 | 117.6° | 126.0° |
| C5 | C2 | F3 | 113.3° | 109.5° |
| C16 | C15 | H21 | 119.9° | 119.9° |
| C15 | C16 | H22 | 119.7° | 120.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F4 | C2 | F1 | C5 | 123.3° | 120.0° |
| F4 | C2 | F1 | F3 | 113.2° | 119.9° |
| F4 | C2 | C5 | C10 | 49.8° | 54.8° |
| F4 | C2 | C5 | F3 | 121.4° | 120.0° |
| F4 | C2 | C5 | N6 | 129.8° | 125.0° |
| C12 | C13 | C14 | H19 | 180.0° | 180.0° |
| C13 | C12 | C11 | H18 | 180.0° | 179.9° |
| C12 | C13 | C14 | C15 | 0.2° | 0.0° |
| C13 | C12 | C11 | C10 | 179.2° | 180.0° |
| C13 | C12 | C11 | C16 | 0.6° | 0.3° |
| C12 | C13 | C14 | H20 | 179.8° | 180.0° |
| C14 | C13 | C12 | C11 | 0.1° | 0.0° |
| C13 | C14 | C15 | H20 | 180.0° | 180.0° |
| C13 | C14 | C15 | C16 | 0.4° | 0.3° |
| C14 | C13 | C12 | H18 | 179.9° | 179.9° |
| C13 | C14 | C15 | H21 | 179.7° | 180.0° |
| C12 | C11 | C10 | C16 | 178.6° | 179.7° |
| C12 | C11 | C10 | C9 | 31.9° | 130.3° |
| C12 | C11 | C10 | C5 | 147.5° | 49.7° |
| C12 | C11 | C16 | C15 | 1.2° | 0.6° |
| C11 | C12 | C13 | H19 | 179.9° | 180.0° |
| C12 | C11 | C16 | H22 | 178.8° | 179.8° |
| F1 | C2 | C5 | C10 | 169.1° | 65.2° |
| F1 | C2 | C5 | F3 | 119.2° | 120.0° |
| F1 | C2 | C5 | N6 | 10.4° | 114.9° |
| C14 | C15 | C16 | C11 | 1.1° | 0.6° |
| C14 | C15 | C16 | H21 | 180.0° | 179.7° |
| C15 | C14 | C13 | H19 | 179.8° | 180.0° |
| C14 | C15 | C16 | H22 | 178.9° | 179.8° |
| C11 | C10 | C9 | C5 | 179.6° | 180.0° |
| C11 | C10 | C9 | N7 | 179.5° | 179.8° |
| C11 | C10 | C5 | C2 | 0.2° | 0.1° |
| C11 | C10 | C5 | N6 | 179.4° | 179.8° |
| C10 | C11 | C16 | C15 | 179.8° | 179.7° |
| C10 | C11 | C12 | H18 | 0.8° | 0.1° |
| C10 | C11 | C16 | H22 | 0.2° | 0.1° |
| C11 | C10 | C9 | H17 | 0.5° | 0.0° |
| C16 | C11 | C10 | C9 | 149.5° | 50.0° |
| C16 | C11 | C10 | C5 | 31.1° | 129.9° |
| C11 | C16 | C15 | H22 | 180.0° | 179.7° |
| C16 | C11 | C12 | H18 | 179.4° | 179.8° |
| C11 | C16 | C15 | H21 | 179.0° | 179.7° |
| C10 | C9 | N7 | H17 | 180.0° | 179.9° |
| C10 | C9 | N7 | N6 | 0.1° | 0.0° |
| C9 | C10 | C5 | C2 | 179.7° | 180.0° |
| C9 | C10 | C5 | N6 | 0.1° | 0.2° |
| C10 | C9 | N7 | H8 | 179.9° | 179.8° |
| C5 | C10 | C9 | N7 | 0.0° | 0.1° |
| C10 | C5 | N6 | N7 | 0.2° | 0.2° |
| C10 | C5 | C2 | N6 | 179.5° | 179.8° |
| C10 | C5 | C2 | F3 | 71.7° | 174.8° |
| C5 | C10 | C9 | H17 | 180.0° | 180.0° |
| C9 | N7 | N6 | H8 | 180.0° | 179.8° |
| C9 | N7 | N6 | C5 | 0.2° | 0.1° |
| N7 | N6 | C5 | C2 | 179.8° | 180.0° |
| N6 | N7 | C9 | H17 | 179.9° | 179.9° |
| N6 | C5 | C2 | F3 | 108.8° | 5.0° |
| C5 | N6 | N7 | H8 | 179.8° | 179.9° |
| C16 | C15 | C14 | H20 | 179.6° | 179.7° |
| H18 | C12 | C13 | H19 | 0.1° | 0.0° |
| H19 | C13 | C14 | H20 | 0.2° | 0.0° |
| H20 | C14 | C15 | H21 | 0.4° | 0.0° |
| H21 | C15 | C16 | H22 | 1.1° | 0.0° |
| H8 | N7 | C9 | H17 | 0.1° | 0.0° |
