A1JFV
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F15 | C14 | sing | 1.35Å | 1.36Å | |
| C13 | C14 | doub | 1.39Å | 1.37Å | Aromatic |
| C13 | C12 | sing | 1.38Å | 1.38Å | Aromatic |
| C14 | C16 | sing | 1.39Å | 1.37Å | Aromatic |
| C12 | C11 | doub | 1.40Å | 1.39Å | Aromatic |
| C16 | C17 | doub | 1.38Å | 1.38Å | Aromatic |
| C11 | C17 | sing | 1.40Å | 1.39Å | Aromatic |
| C11 | C9 | sing | 1.48Å | 1.49Å | |
| C9 | N8 | sing | 1.35Å | 1.35Å | |
| C9 | O10 | doub | 1.22Å | 1.23Å | |
| N8 | C7 | sing | 1.40Å | 1.42Å | |
| C6 | C7 | doub | 1.39Å | 1.39Å | Aromatic |
| C6 | C5 | sing | 1.38Å | 1.39Å | Aromatic |
| C7 | C18 | sing | 1.39Å | 1.39Å | Aromatic |
| C5 | C4 | doub | 1.38Å | 1.38Å | Aromatic |
| C18 | C3 | doub | 1.38Å | 1.39Å | Aromatic |
| N1 | C2 | sing | 1.47Å | 1.49Å | |
| C4 | C3 | sing | 1.38Å | 1.39Å | Aromatic |
| C3 | C2 | sing | 1.51Å | 1.50Å | |
| N1 | H1C | sing | 1.01Å | 1.00Å | |
| N1 | H1A | sing | 1.01Å | 1.00Å | |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C13 | H13 | sing | 1.08Å | 1.08Å | |
| C17 | H17 | sing | 1.08Å | 1.08Å | |
| C12 | H12 | sing | 1.08Å | 1.08Å | |
| C16 | H16 | sing | 1.08Å | 1.08Å | |
| C18 | H18 | sing | 1.08Å | 1.08Å | |
| C2 | H2A | sing | 1.09Å | 1.10Å | |
| C2 | H2B | sing | 1.09Å | 1.10Å | |
| N8 | H8 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F15 | C14 | C13 | 118.2° | 119.9° |
| F15 | C14 | C16 | 118.4° | 119.9° |
| C14 | C13 | C12 | 118.0° | 120.1° |
| C13 | C14 | C16 | 123.4° | 120.3° |
| C14 | C13 | H13 | 121.0° | 119.9° |
| C13 | C12 | C11 | 120.9° | 119.9° |
| C12 | C13 | H13 | 121.0° | 120.0° |
| C13 | C12 | H12 | 119.6° | 120.1° |
| C14 | C16 | C17 | 118.0° | 120.1° |
| C14 | C16 | H16 | 121.0° | 120.0° |
| C12 | C11 | C17 | 118.8° | 119.8° |
| C12 | C11 | C9 | 120.7° | 120.1° |
| C11 | C12 | H12 | 119.5° | 120.1° |
| C16 | C17 | C11 | 120.8° | 119.9° |
| C16 | C17 | H17 | 119.6° | 120.1° |
| C17 | C16 | H16 | 121.0° | 119.9° |
| C17 | C11 | C9 | 120.4° | 120.1° |
| C11 | C17 | H17 | 119.6° | 120.0° |
| C11 | C9 | N8 | 115.5° | 120.0° |
| C11 | C9 | O10 | 121.1° | 120.0° |
| N8 | C9 | O10 | 123.4° | 120.0° |
| C9 | N8 | C7 | 127.7° | 120.0° |
| C9 | N8 | H8 | 116.2° | 120.0° |
| N8 | C7 | C6 | 121.8° | 120.1° |
| N8 | C7 | C18 | 118.3° | 120.0° |
| C7 | N8 | H8 | 116.2° | 120.0° |
| C7 | C6 | C5 | 119.7° | 119.9° |
| C6 | C7 | C18 | 119.8° | 119.9° |
| C7 | C6 | H6 | 120.2° | 120.0° |
| C6 | C5 | C4 | 120.3° | 120.1° |
| C6 | C5 | H5 | 119.8° | 120.0° |
| C5 | C6 | H6 | 120.1° | 120.1° |
| C7 | C18 | C3 | 120.7° | 119.9° |
| C7 | C18 | H18 | 119.6° | 120.0° |
| C5 | C4 | C3 | 120.6° | 120.2° |
| C5 | C4 | H4 | 119.7° | 119.9° |
| C4 | C5 | H5 | 119.8° | 120.0° |
| C18 | C3 | C4 | 118.9° | 120.0° |
| C18 | C3 | C2 | 119.8° | 120.0° |
| C3 | C18 | H18 | 119.7° | 120.1° |
| N1 | C2 | C3 | 111.8° | 109.5° |
| C2 | N1 | H1C | 109.5° | 111.0° |
| C2 | N1 | H1A | 109.5° | 111.0° |
| N1 | C2 | H2A | 108.9° | 109.4° |
| N1 | C2 | H2B | 108.9° | 109.4° |
| C4 | C3 | C2 | 121.2° | 120.0° |
| C3 | C4 | H4 | 119.7° | 119.9° |
| C3 | C2 | H2A | 108.9° | 109.5° |
| C3 | C2 | H2B | 108.9° | 109.5° |
| H1C | N1 | H1A | 109.5° | 111.1° |
| H2A | C2 | H2B | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F15 | C14 | C13 | C16 | 179.1° | 180.0° |
| F15 | C14 | C13 | C12 | 179.0° | 180.0° |
| F15 | C14 | C16 | C17 | 179.0° | 179.9° |
| F15 | C14 | C13 | H13 | 1.0° | 0.3° |
| F15 | C14 | C16 | H16 | 1.0° | 0.0° |
| C14 | C13 | C12 | H13 | 180.0° | 179.7° |
| C14 | C13 | C12 | C11 | 0.0° | 0.0° |
| C13 | C14 | C16 | C17 | 0.1° | 0.0° |
| C14 | C13 | C12 | H12 | 180.0° | 179.9° |
| C13 | C14 | C16 | H16 | 179.9° | 179.9° |
| C12 | C13 | C14 | C16 | 0.1° | 0.0° |
| C13 | C12 | C11 | H12 | 180.0° | 179.9° |
| C13 | C12 | C11 | C17 | 0.0° | 0.0° |
| C13 | C12 | C11 | C9 | 177.8° | 180.0° |
| C14 | C16 | C17 | H16 | 180.0° | 179.9° |
| C14 | C16 | C17 | C11 | 0.0° | 0.0° |
| C16 | C14 | C13 | H13 | 179.9° | 179.7° |
| C14 | C16 | C17 | H17 | 179.9° | 180.0° |
| C12 | C11 | C17 | C16 | 0.0° | 0.0° |
| C12 | C11 | C17 | C9 | 177.8° | 180.0° |
| C12 | C11 | C9 | N8 | 24.8° | 0.1° |
| C12 | C11 | C9 | O10 | 155.4° | 180.0° |
| C11 | C12 | C13 | H13 | 180.0° | 179.7° |
| C12 | C11 | C17 | H17 | 180.0° | 180.0° |
| C16 | C17 | C11 | H17 | 180.0° | 180.0° |
| C16 | C17 | C11 | C9 | 177.8° | 180.0° |
| C17 | C11 | C9 | N8 | 157.4° | 180.0° |
| C17 | C11 | C9 | O10 | 22.3° | 0.0° |
| C17 | C11 | C12 | H12 | 180.0° | 180.0° |
| C11 | C17 | C16 | H16 | 179.9° | 180.0° |
| C11 | C9 | N8 | O10 | 179.8° | 180.0° |
| C11 | C9 | N8 | C7 | 176.1° | 174.7° |
| C9 | C11 | C17 | H17 | 2.2° | 0.1° |
| C9 | C11 | C12 | H12 | 2.2° | 0.1° |
| C11 | C9 | N8 | H8 | 3.9° | 5.3° |
| C9 | N8 | C7 | H8 | 180.0° | 180.0° |
| C9 | N8 | C7 | C6 | 30.2° | 33.4° |
| C9 | N8 | C7 | C18 | 154.1° | 146.7° |
| O10 | C9 | N8 | C7 | 4.1° | 5.2° |
| O10 | C9 | N8 | H8 | 175.9° | 174.7° |
| N8 | C7 | C6 | C18 | 175.7° | 179.9° |
| N8 | C7 | C6 | C5 | 175.4° | 180.0° |
| N8 | C7 | C18 | C3 | 175.5° | 179.9° |
| N8 | C7 | C6 | H6 | 4.6° | 0.1° |
| N8 | C7 | C18 | H18 | 4.5° | 0.0° |
| C7 | C6 | C5 | H6 | 180.0° | 180.0° |
| C7 | C6 | C5 | C4 | 0.1° | 0.0° |
| C6 | C7 | C18 | C3 | 0.4° | 0.0° |
| C7 | C6 | C5 | H5 | 179.9° | 180.0° |
| C6 | C7 | C18 | H18 | 179.6° | 179.9° |
| C6 | C7 | N8 | H8 | 149.8° | 146.6° |
| C5 | C6 | C7 | C18 | 0.2° | 0.0° |
| C6 | C5 | C4 | H5 | 180.0° | 180.0° |
| C6 | C5 | C4 | C3 | 0.1° | 0.0° |
| C6 | C5 | C4 | H4 | 179.9° | 179.8° |
| C7 | C18 | C3 | H18 | 180.0° | 179.9° |
| C7 | C18 | C3 | C4 | 0.3° | 0.0° |
| C7 | C18 | C3 | C2 | 176.6° | 179.7° |
| C18 | C7 | C6 | H6 | 179.8° | 180.0° |
| C18 | C7 | N8 | H8 | 25.9° | 33.3° |
| C5 | C4 | C3 | C18 | 0.2° | 0.0° |
| C5 | C4 | C3 | H4 | 180.0° | 179.8° |
| C5 | C4 | C3 | C2 | 176.7° | 179.7° |
| C4 | C5 | C6 | H6 | 179.9° | 180.0° |
| C18 | C3 | C2 | N1 | 57.5° | 90.3° |
| C18 | C3 | C4 | C2 | 176.9° | 179.7° |
| C18 | C3 | C4 | H4 | 179.8° | 179.7° |
| C18 | C3 | C2 | H2A | 62.8° | 149.7° |
| C18 | C3 | C2 | H2B | 177.9° | 29.7° |
| N1 | C2 | C3 | C4 | 119.4° | 90.0° |
| N1 | C2 | C3 | H2A | 120.4° | 120.0° |
| N1 | C2 | C3 | H2B | 120.4° | 120.0° |
| C2 | N1 | H1C | H1A | 120.0° | 124.0° |
| N1 | C2 | H2A | H2B | 118.9° | 119.9° |
| C3 | C4 | C5 | H5 | 179.9° | 180.0° |
| C4 | C3 | C18 | H18 | 179.6° | 180.0° |
| C4 | C3 | C2 | H2A | 120.3° | 30.0° |
| C4 | C3 | C2 | H2B | 1.0° | 150.0° |
| C3 | C2 | N1 | H1C | 180.0° | 56.0° |
| C3 | C2 | N1 | H1A | 60.0° | 180.0° |
| C2 | C3 | C4 | H4 | 3.3° | 0.1° |
| C2 | C3 | C18 | H18 | 3.4° | 0.3° |
| C3 | C2 | H2A | H2B | 119.0° | 120.1° |
| H1C | N1 | C2 | H2A | 59.6° | 176.0° |
| H1C | N1 | C2 | H2B | 59.6° | 64.0° |
| H1A | N1 | C2 | H2A | 60.4° | 60.0° |
| H1A | N1 | C2 | H2B | 179.7° | 60.0° |
| H4 | C4 | C5 | H5 | 0.1° | 0.2° |
| H5 | C5 | C6 | H6 | 0.1° | 0.0° |
| H13 | C13 | C12 | H12 | 0.1° | 0.4° |
| H17 | C17 | C16 | H16 | 0.1° | 0.1° |
