390
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F | C7 | sing | 1.35Å | 1.37Å | |
| C7 | C8 | doub | 1.38Å | 1.37Å | Aromatic |
| C7 | C6 | sing | 1.38Å | 1.36Å | Aromatic |
| C8 | C9 | sing | 1.38Å | 1.38Å | Aromatic |
| C6 | C5 | doub | 1.38Å | 1.38Å | Aromatic |
| C9 | CL | sing | 1.74Å | 1.75Å | |
| C9 | C4 | doub | 1.39Å | 1.39Å | Aromatic |
| C5 | C4 | sing | 1.39Å | 1.40Å | Aromatic |
| C4 | N1 | sing | 1.40Å | 1.40Å | |
| C19 | C18 | doub | 1.38Å | 1.39Å | Aromatic |
| C19 | C20 | sing | 1.38Å | 1.38Å | Aromatic |
| N1 | C3 | sing | 1.39Å | 1.33Å | |
| C18 | C17 | sing | 1.38Å | 1.38Å | Aromatic |
| C20 | C21 | doub | 1.38Å | 1.38Å | Aromatic |
| C16 | O | sing | 1.43Å | 1.44Å | |
| C16 | C15 | sing | 1.53Å | 1.52Å | |
| C23 | N4 | sing | 1.35Å | 1.33Å | Aromatic |
| C23 | C11 | doub | 1.38Å | 1.39Å | Aromatic |
| C17 | C15 | sing | 1.51Å | 1.53Å | |
| C17 | C22 | doub | 1.38Å | 1.38Å | Aromatic |
| C21 | C22 | sing | 1.38Å | 1.38Å | Aromatic |
| C21 | CL1 | sing | 1.74Å | 1.72Å | |
| N4 | C13 | sing | 1.38Å | 1.37Å | Aromatic |
| N2 | C3 | doub | 1.32Å | 1.32Å | Aromatic |
| N2 | C10 | sing | 1.33Å | 1.34Å | Aromatic |
| N3 | C15 | sing | 1.47Å | 1.45Å | |
| N3 | C14 | sing | 1.35Å | 1.39Å | |
| C3 | N | sing | 1.33Å | 1.35Å | Aromatic |
| C11 | C10 | sing | 1.48Å | 1.46Å | |
| C11 | C12 | sing | 1.41Å | 1.36Å | Aromatic |
| C13 | C14 | sing | 1.47Å | 1.46Å | |
| C13 | C12 | doub | 1.37Å | 1.38Å | Aromatic |
| C10 | C1 | doub | 1.40Å | 1.45Å | Aromatic |
| C14 | O1 | doub | 1.22Å | 1.21Å | |
| N | C2 | doub | 1.32Å | 1.33Å | Aromatic |
| C1 | C2 | sing | 1.38Å | 1.39Å | Aromatic |
| C1 | C | sing | 1.51Å | 1.50Å | |
| N3 | H1 | sing | 0.97Å | 1.00Å | |
| C15 | H2 | sing | 1.09Å | 1.10Å | |
| C22 | H3 | sing | 1.08Å | 1.08Å | |
| C20 | H4 | sing | 1.08Å | 1.08Å | |
| C19 | H5 | sing | 1.08Å | 1.08Å | |
| C18 | H6 | sing | 1.08Å | 1.08Å | |
| C16 | H7 | sing | 1.09Å | 1.10Å | |
| C16 | H8 | sing | 1.09Å | 1.10Å | |
| O | H9 | sing | 0.97Å | 0.95Å | |
| C12 | H10 | sing | 1.08Å | 1.08Å | |
| N4 | H11 | sing | 0.97Å | 1.00Å | |
| C23 | H12 | sing | 1.08Å | 1.08Å | |
| C | H13 | sing | 1.09Å | 1.10Å | |
| C | H14 | sing | 1.09Å | 1.10Å | |
| C | H15 | sing | 1.09Å | 1.10Å | |
| C2 | H16 | sing | 1.08Å | 1.08Å | |
| N1 | H17 | sing | 0.97Å | 1.00Å | |
| C8 | H18 | sing | 1.08Å | 1.08Å | |
| C6 | H19 | sing | 1.08Å | 1.08Å | |
| C5 | H20 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F | C7 | C8 | 118.4° | 119.9° |
| F | C7 | C6 | 118.7° | 120.0° |
| C8 | C7 | C6 | 122.9° | 120.1° |
| C7 | C8 | C9 | 118.2° | 120.0° |
| C7 | C8 | H18 | 120.9° | 120.0° |
| C7 | C6 | C5 | 118.4° | 120.1° |
| C7 | C6 | H19 | 120.8° | 120.0° |
| C8 | C9 | CL | 118.4° | 120.0° |
| C8 | C9 | C4 | 121.6° | 119.9° |
| C9 | C8 | H18 | 120.9° | 120.0° |
| C6 | C5 | C4 | 120.9° | 119.9° |
| C5 | C6 | H19 | 120.8° | 119.9° |
| C6 | C5 | H20 | 119.5° | 120.1° |
| CL | C9 | C4 | 119.8° | 120.1° |
| C9 | C4 | C5 | 117.8° | 119.9° |
| C9 | C4 | N1 | 120.8° | 120.0° |
| C5 | C4 | N1 | 121.4° | 120.1° |
| C4 | C5 | H20 | 119.5° | 120.0° |
| C4 | N1 | C3 | 133.6° | 120.0° |
| C4 | N1 | H17 | 113.2° | 120.0° |
| C18 | C19 | C20 | 120.1° | 120.0° |
| C19 | C18 | C17 | 120.5° | 120.1° |
| C18 | C19 | H5 | 120.0° | 120.0° |
| C19 | C18 | H6 | 119.8° | 120.1° |
| C19 | C20 | C21 | 118.7° | 120.0° |
| C19 | C20 | H4 | 120.6° | 120.0° |
| C20 | C19 | H5 | 119.9° | 120.0° |
| N1 | C3 | N2 | 114.0° | 119.2° |
| N1 | C3 | N | 119.7° | 119.2° |
| C3 | N1 | H17 | 113.2° | 120.0° |
| C18 | C17 | C15 | 120.9° | 120.0° |
| C18 | C17 | C22 | 119.6° | 120.0° |
| C17 | C18 | H6 | 119.8° | 119.9° |
| C20 | C21 | C22 | 121.4° | 120.0° |
| C20 | C21 | CL1 | 119.9° | 120.0° |
| C21 | C20 | H4 | 120.6° | 120.0° |
| O | C16 | C15 | 109.8° | 109.5° |
| O | C16 | H7 | 109.4° | 109.5° |
| O | C16 | H8 | 109.4° | 109.5° |
| C16 | O | H9 | 109.5° | 114.0° |
| C16 | C15 | C17 | 108.6° | 109.5° |
| C16 | C15 | N3 | 108.3° | 109.5° |
| C16 | C15 | H2 | 108.8° | 109.5° |
| C15 | C16 | H7 | 109.4° | 109.5° |
| C15 | C16 | H8 | 109.4° | 109.5° |
| N4 | C23 | C11 | 110.1° | 108.4° |
| C23 | N4 | C13 | 108.3° | 109.0° |
| C23 | N4 | H11 | 125.9° | 125.5° |
| N4 | C23 | H12 | 124.9° | 125.7° |
| C23 | C11 | C10 | 126.0° | 126.4° |
| C23 | C11 | C12 | 105.0° | 107.2° |
| C11 | C23 | H12 | 125.0° | 125.8° |
| C15 | C17 | C22 | 119.5° | 120.0° |
| C17 | C15 | N3 | 112.5° | 109.5° |
| C17 | C15 | H2 | 108.8° | 109.5° |
| C17 | C22 | C21 | 119.6° | 120.0° |
| C17 | C22 | H3 | 120.2° | 120.0° |
| C22 | C21 | CL1 | 118.5° | 120.0° |
| C21 | C22 | H3 | 120.2° | 120.0° |
| N4 | C13 | C14 | 120.1° | 125.9° |
| N4 | C13 | C12 | 106.1° | 108.3° |
| C13 | N4 | H11 | 125.8° | 125.5° |
| C3 | N2 | C10 | 118.2° | 120.6° |
| N2 | C3 | N | 125.4° | 121.7° |
| N2 | C10 | C11 | 115.2° | 120.5° |
| N2 | C10 | C1 | 122.0° | 118.9° |
| C15 | N3 | C14 | 124.8° | 120.0° |
| C15 | N3 | H1 | 117.6° | 120.0° |
| N3 | C15 | H2 | 109.8° | 109.4° |
| N3 | C14 | C13 | 116.7° | 120.0° |
| N3 | C14 | O1 | 121.7° | 120.0° |
| C14 | N3 | H1 | 117.6° | 120.0° |
| C3 | N | C2 | 115.8° | 121.0° |
| C10 | C11 | C12 | 129.0° | 126.4° |
| C11 | C10 | C1 | 122.3° | 120.6° |
| C11 | C12 | C13 | 110.1° | 107.0° |
| C11 | C12 | H10 | 124.9° | 126.5° |
| C14 | C13 | C12 | 133.6° | 125.8° |
| C13 | C14 | O1 | 121.4° | 120.0° |
| C13 | C12 | H10 | 124.9° | 126.5° |
| C10 | C1 | C2 | 112.5° | 118.5° |
| C10 | C1 | C | 125.2° | 120.7° |
| N | C2 | C1 | 126.0° | 119.3° |
| N | C2 | H16 | 117.0° | 120.4° |
| C2 | C1 | C | 122.2° | 120.8° |
| C1 | C2 | H16 | 117.0° | 120.3° |
| C1 | C | H13 | 109.5° | 109.5° |
| C1 | C | H14 | 109.5° | 109.5° |
| C1 | C | H15 | 109.4° | 109.5° |
| H7 | C16 | H8 | 109.5° | 109.5° |
| H13 | C | H14 | 109.5° | 109.4° |
| H13 | C | H15 | 109.5° | 109.4° |
| H14 | C | H15 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F | C7 | C8 | C6 | 176.7° | 180.0° |
| F | C7 | C8 | C9 | 174.0° | 180.0° |
| F | C7 | C6 | C5 | 173.0° | 179.8° |
| F | C7 | C8 | H18 | 6.0° | 0.1° |
| F | C7 | C6 | H19 | 7.0° | 0.0° |
| C7 | C8 | C9 | H18 | 180.0° | 179.9° |
| C8 | C7 | C6 | C5 | 3.7° | 0.3° |
| C7 | C8 | C9 | CL | 175.7° | 179.9° |
| C7 | C8 | C9 | C4 | 1.6° | 0.1° |
| C8 | C7 | C6 | H19 | 176.3° | 180.0° |
| C6 | C7 | C8 | C9 | 2.7° | 0.1° |
| C7 | C6 | C5 | H19 | 180.0° | 179.7° |
| C7 | C6 | C5 | C4 | 0.5° | 0.5° |
| C6 | C7 | C8 | H18 | 177.4° | 180.0° |
| C7 | C6 | C5 | H20 | 179.4° | 179.9° |
| C8 | C9 | CL | C4 | 174.2° | 180.0° |
| C8 | C9 | C4 | C5 | 4.5° | 0.3° |
| C8 | C9 | C4 | N1 | 177.7° | 180.0° |
| C6 | C5 | C4 | C9 | 3.4° | 0.5° |
| C6 | C5 | C4 | H20 | 180.0° | 179.6° |
| C6 | C5 | C4 | N1 | 178.9° | 179.7° |
| CL | C9 | C4 | C5 | 178.5° | 179.7° |
| CL | C9 | C4 | N1 | 3.7° | 0.0° |
| CL | C9 | C8 | H18 | 4.3° | 0.0° |
| C9 | C4 | C5 | N1 | 177.7° | 179.8° |
| C9 | C4 | N1 | C3 | 155.5° | 155.3° |
| C9 | C4 | N1 | H17 | 24.4° | 24.7° |
| C4 | C9 | C8 | H18 | 178.4° | 180.0° |
| C9 | C4 | C5 | H20 | 176.6° | 179.9° |
| C5 | C4 | N1 | C3 | 26.8° | 24.9° |
| C5 | C4 | N1 | H17 | 153.2° | 155.1° |
| C4 | C5 | C6 | H19 | 179.5° | 179.8° |
| C4 | N1 | C3 | H17 | 180.0° | 180.0° |
| C4 | N1 | C3 | N2 | 17.9° | 174.1° |
| C4 | N1 | C3 | N | 172.6° | 6.0° |
| N1 | C4 | C5 | H20 | 1.1° | 0.2° |
| C18 | C19 | C20 | H5 | 180.0° | 179.6° |
| C19 | C18 | C17 | H6 | 180.0° | 179.5° |
| C18 | C19 | C20 | C21 | 2.0° | 0.2° |
| C19 | C18 | C17 | C15 | 178.4° | 179.8° |
| C19 | C18 | C17 | C22 | 2.1° | 0.5° |
| C18 | C19 | C20 | H4 | 178.0° | 179.8° |
| C20 | C19 | C18 | C17 | 0.8° | 0.5° |
| C19 | C20 | C21 | H4 | 180.0° | 180.0° |
| C19 | C20 | C21 | C22 | 3.5° | 0.0° |
| C19 | C20 | C21 | CL1 | 172.0° | 180.0° |
| C20 | C19 | C18 | H6 | 179.2° | 180.0° |
| N1 | C3 | N2 | N | 168.8° | 179.9° |
| N1 | C3 | N2 | C10 | 170.9° | 180.0° |
| N1 | C3 | N | C2 | 170.6° | 179.7° |
| C18 | C17 | C15 | C16 | 101.2° | 80.3° |
| C18 | C17 | C15 | C22 | 179.6° | 179.7° |
| C18 | C17 | C22 | C21 | 0.6° | 0.3° |
| C18 | C17 | C15 | N3 | 18.7° | 39.7° |
| C18 | C17 | C15 | H2 | 140.5° | 159.7° |
| C18 | C17 | C22 | H3 | 179.5° | 179.8° |
| C17 | C18 | C19 | H5 | 179.2° | 179.9° |
| C20 | C21 | C22 | C17 | 2.3° | 0.1° |
| C20 | C21 | C22 | CL1 | 175.6° | 179.9° |
| C20 | C21 | C22 | H3 | 177.7° | 180.0° |
| C21 | C20 | C19 | H5 | 178.0° | 179.8° |
| O | C16 | C15 | H7 | 120.1° | 120.0° |
| O | C16 | C15 | H8 | 120.0° | 120.0° |
| O | C16 | C15 | C17 | 176.9° | 55.0° |
| O | C16 | C15 | N3 | 60.6° | 65.0° |
| O | C16 | C15 | H2 | 58.7° | 175.0° |
| O | C16 | H7 | H8 | 119.9° | 120.0° |
| C16 | C15 | C17 | N3 | 119.9° | 120.0° |
| C16 | C15 | C17 | H2 | 118.3° | 120.0° |
| C16 | C15 | C17 | C22 | 78.4° | 100.1° |
| C16 | C15 | N3 | H2 | 118.7° | 120.0° |
| C16 | C15 | N3 | C14 | 154.8° | 85.0° |
| C16 | C15 | N3 | H1 | 25.2° | 95.0° |
| C15 | C16 | H7 | H8 | 119.9° | 120.0° |
| C15 | C16 | O | H9 | 180.0° | 180.0° |
| N4 | C23 | C11 | H12 | 180.0° | 179.9° |
| C23 | N4 | C13 | H11 | 180.0° | 180.0° |
| N4 | C23 | C11 | C10 | 178.6° | 180.0° |
| N4 | C23 | C11 | C12 | 0.7° | 0.0° |
| C23 | N4 | C13 | C14 | 179.1° | 180.0° |
| C23 | N4 | C13 | C12 | 4.9° | 0.3° |
| C11 | C23 | N4 | C13 | 2.7° | 0.2° |
| C23 | C11 | C10 | N2 | 14.6° | 144.7° |
| C23 | C11 | C10 | C12 | 177.5° | 180.0° |
| C23 | C11 | C12 | C13 | 3.8° | 0.2° |
| C23 | C11 | C10 | C1 | 157.6° | 35.0° |
| C23 | C11 | C12 | H10 | 176.2° | 179.8° |
| C11 | C23 | N4 | H11 | 177.3° | 179.9° |
| C15 | C17 | C22 | C21 | 179.9° | 180.0° |
| C17 | C15 | N3 | H2 | 121.2° | 120.0° |
| C17 | C15 | N3 | C14 | 85.1° | 155.0° |
| C17 | C15 | N3 | H1 | 94.9° | 25.0° |
| C15 | C17 | C22 | H3 | 0.1° | 0.1° |
| C15 | C17 | C18 | H6 | 1.6° | 0.3° |
| C17 | C15 | C16 | H7 | 63.0° | 175.0° |
| C17 | C15 | C16 | H8 | 56.8° | 65.0° |
| C17 | C22 | C21 | H3 | 180.0° | 179.9° |
| C17 | C22 | C21 | CL1 | 173.3° | 180.0° |
| C22 | C17 | C15 | N3 | 161.7° | 139.9° |
| C22 | C17 | C15 | H2 | 39.9° | 20.0° |
| C22 | C17 | C18 | H6 | 178.0° | 179.9° |
| C22 | C21 | C20 | H4 | 176.5° | 180.0° |
| CL1 | C21 | C22 | H3 | 6.7° | 0.1° |
| CL1 | C21 | C20 | H4 | 8.0° | 0.1° |
| N4 | C13 | C14 | N3 | 24.3° | 0.6° |
| N4 | C13 | C12 | C11 | 5.5° | 0.3° |
| N4 | C13 | C14 | C12 | 174.7° | 179.7° |
| N4 | C13 | C14 | O1 | 151.1° | 179.7° |
| N4 | C13 | C12 | H10 | 174.6° | 179.7° |
| C13 | N4 | C23 | H12 | 177.2° | 180.0° |
| C3 | N2 | C10 | C11 | 172.1° | 180.0° |
| C3 | N2 | C10 | C1 | 0.1° | 0.3° |
| N2 | C3 | N | C2 | 2.4° | 0.2° |
| N2 | C3 | N1 | H17 | 162.1° | 5.9° |
| C10 | N2 | C3 | N | 2.1° | 0.0° |
| N2 | C10 | C11 | C1 | 172.2° | 179.7° |
| N2 | C10 | C11 | C12 | 167.9° | 35.3° |
| N2 | C10 | C1 | C2 | 1.2° | 0.3° |
| N2 | C10 | C1 | C | 177.0° | 179.8° |
| C15 | N3 | C14 | H1 | 180.0° | 180.0° |
| C15 | N3 | C14 | C13 | 179.9° | 179.7° |
| C15 | N3 | C14 | O1 | 4.5° | 0.0° |
| N3 | C15 | C16 | H7 | 59.4° | 55.0° |
| N3 | C15 | C16 | H8 | 179.3° | 175.0° |
| N3 | C14 | C13 | O1 | 175.4° | 179.7° |
| N3 | C14 | C13 | C12 | 161.0° | 179.7° |
| C14 | N3 | C15 | H2 | 36.1° | 35.0° |
| C3 | N | C2 | C1 | 0.8° | 0.2° |
| C3 | N | C2 | H16 | 179.2° | 179.8° |
| N | C3 | N1 | H17 | 7.4° | 174.0° |
| C10 | C11 | C12 | C13 | 178.3° | 179.9° |
| C11 | C10 | C1 | C2 | 172.9° | 180.0° |
| C11 | C10 | C1 | C | 5.4° | 0.0° |
| C10 | C11 | C12 | H10 | 1.7° | 0.1° |
| C10 | C11 | C23 | H12 | 1.4° | 0.1° |
| C11 | C12 | C13 | C14 | 179.3° | 180.0° |
| C11 | C12 | C13 | H10 | 180.0° | 180.0° |
| C12 | C11 | C10 | C1 | 19.9° | 145.0° |
| C12 | C11 | C23 | H12 | 179.4° | 179.9° |
| C13 | C14 | N3 | H1 | 0.1° | 0.3° |
| C14 | C13 | C12 | H10 | 0.7° | 0.0° |
| C14 | C13 | N4 | H11 | 1.0° | 0.0° |
| C12 | C13 | C14 | O1 | 23.6° | 0.0° |
| C12 | C13 | N4 | H11 | 175.0° | 179.8° |
| C10 | C1 | C2 | N | 0.9° | 0.0° |
| C10 | C1 | C2 | C | 178.3° | 180.0° |
| C10 | C1 | C | H13 | 89.0° | 90.0° |
| C10 | C1 | C | H14 | 151.0° | 150.0° |
| C10 | C1 | C | H15 | 31.0° | 30.0° |
| C10 | C1 | C2 | H16 | 179.1° | 180.0° |
| O1 | C14 | N3 | H1 | 175.5° | 180.0° |
| N | C2 | C1 | H16 | 180.0° | 180.0° |
| N | C2 | C1 | C | 177.5° | 180.0° |
| C2 | C1 | C | H13 | 89.1° | 90.0° |
| C2 | C1 | C | H14 | 30.9° | 30.0° |
| C2 | C1 | C | H15 | 150.9° | 150.0° |
| C1 | C | H13 | H14 | 120.0° | 120.0° |
| C1 | C | H13 | H15 | 120.0° | 120.0° |
| C1 | C | H14 | H15 | 120.0° | 120.1° |
| C | C1 | C2 | H16 | 2.6° | 0.0° |
| H1 | N3 | C15 | H2 | 143.8° | 145.0° |
| H2 | C15 | C16 | H7 | 178.7° | 65.0° |
| H2 | C15 | C16 | H8 | 61.4° | 55.0° |
| H4 | C20 | C19 | H5 | 2.0° | 0.2° |
| H5 | C19 | C18 | H6 | 0.8° | 0.4° |
| H7 | C16 | O | H9 | 60.0° | 60.0° |
| H8 | C16 | O | H9 | 60.0° | 60.0° |
| H11 | N4 | C23 | H12 | 2.8° | 0.0° |
| H13 | C | H14 | H15 | 120.0° | 119.9° |
| H19 | C6 | C5 | H20 | 0.5° | 0.2° |
