FFV
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CL | C8 | sing | 1.74Å | 1.71Å | |
| C8 | C9 | doub | 1.38Å | 1.37Å | Aromatic |
| C8 | C7 | sing | 1.39Å | 1.39Å | Aromatic |
| C9 | C4 | sing | 1.39Å | 1.40Å | Aromatic |
| F | C7 | sing | 1.35Å | 1.30Å | |
| C7 | C6 | doub | 1.38Å | 1.39Å | Aromatic |
| C4 | N2 | sing | 1.40Å | 1.40Å | |
| C4 | C5 | doub | 1.39Å | 1.41Å | Aromatic |
| N2 | C3 | sing | 1.38Å | 1.40Å | |
| N3 | C3 | doub | 1.32Å | 1.36Å | Aromatic |
| N3 | C10 | sing | 1.34Å | 1.36Å | Aromatic |
| C11 | C10 | doub | 1.40Å | 1.43Å | Aromatic |
| C11 | C12 | sing | 1.36Å | 1.36Å | Aromatic |
| C3 | N1 | sing | 1.33Å | 1.40Å | Aromatic |
| C6 | C5 | sing | 1.38Å | 1.37Å | Aromatic |
| C10 | C15 | sing | 1.42Å | 1.42Å | Aromatic |
| C12 | C13 | doub | 1.39Å | 1.42Å | Aromatic |
| N1 | C2 | doub | 1.32Å | 1.36Å | Aromatic |
| C15 | C2 | sing | 1.42Å | 1.45Å | Aromatic |
| C15 | C14 | doub | 1.40Å | 1.41Å | Aromatic |
| C13 | C14 | sing | 1.36Å | 1.37Å | Aromatic |
| C2 | N | sing | 1.38Å | 1.38Å | |
| N | C1 | sing | 1.46Å | 1.48Å | |
| C1 | C | sing | 1.53Å | 1.53Å | |
| C1 | C16 | sing | 1.53Å | 1.52Å | |
| C18 | C16 | sing | 1.53Å | 1.51Å | |
| C18 | C17 | sing | 1.53Å | 1.51Å | |
| C16 | C17 | sing | 1.53Å | 1.52Å | |
| C5 | H1 | sing | 1.08Å | 1.08Å | |
| C6 | H2 | sing | 1.08Å | 1.08Å | |
| C13 | H3 | sing | 1.08Å | 1.08Å | |
| C17 | H4 | sing | 1.09Å | 1.10Å | |
| C17 | H5 | sing | 1.09Å | 1.10Å | |
| N | H6 | sing | 0.97Å | 1.00Å | |
| C | H7 | sing | 1.09Å | 1.10Å | |
| C | H8 | sing | 1.09Å | 1.10Å | |
| C | H9 | sing | 1.09Å | 1.10Å | |
| C1 | H10 | sing | 1.09Å | 1.10Å | |
| C11 | H11 | sing | 1.08Å | 1.08Å | |
| C12 | H12 | sing | 1.08Å | 1.08Å | |
| C14 | H13 | sing | 1.08Å | 1.08Å | |
| C16 | H14 | sing | 1.09Å | 1.10Å | |
| C18 | H15 | sing | 1.09Å | 1.10Å | |
| C18 | H16 | sing | 1.09Å | 1.10Å | |
| C9 | H17 | sing | 1.08Å | 1.08Å | |
| N2 | H18 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CL | C8 | C9 | 119.3° | 119.9° |
| CL | C8 | C7 | 119.7° | 120.0° |
| C9 | C8 | C7 | 121.0° | 120.1° |
| C8 | C9 | C4 | 118.7° | 119.9° |
| C8 | C9 | H17 | 120.6° | 120.1° |
| C8 | C7 | F | 120.4° | 120.0° |
| C8 | C7 | C6 | 120.7° | 120.1° |
| C9 | C4 | N2 | 120.0° | 120.0° |
| C9 | C4 | C5 | 120.1° | 119.9° |
| C4 | C9 | H17 | 120.7° | 120.0° |
| F | C7 | C6 | 118.9° | 119.9° |
| C7 | C6 | C5 | 119.3° | 120.0° |
| C7 | C6 | H2 | 120.4° | 120.0° |
| N2 | C4 | C5 | 119.5° | 120.0° |
| C4 | N2 | C3 | 130.9° | 120.0° |
| C4 | N2 | H18 | 114.5° | 119.9° |
| C4 | C5 | C6 | 120.2° | 120.0° |
| C4 | C5 | H1 | 119.9° | 120.1° |
| N2 | C3 | N3 | 109.7° | 118.6° |
| N2 | C3 | N1 | 122.0° | 118.6° |
| C3 | N2 | H18 | 114.6° | 120.1° |
| C3 | N3 | C10 | 115.4° | 120.4° |
| N3 | C3 | N1 | 127.9° | 122.8° |
| N3 | C10 | C11 | 116.4° | 121.9° |
| N3 | C10 | C15 | 123.2° | 118.8° |
| C10 | C11 | C12 | 118.9° | 119.6° |
| C11 | C10 | C15 | 120.4° | 119.3° |
| C10 | C11 | H11 | 120.5° | 120.2° |
| C11 | C12 | C13 | 120.9° | 121.0° |
| C12 | C11 | H11 | 120.5° | 120.2° |
| C11 | C12 | H12 | 119.5° | 119.5° |
| C3 | N1 | C2 | 115.1° | 121.4° |
| C6 | C5 | H1 | 119.9° | 120.0° |
| C5 | C6 | H2 | 120.4° | 120.0° |
| C10 | C15 | C2 | 116.5° | 118.3° |
| C10 | C15 | C14 | 119.0° | 119.6° |
| C12 | C13 | C14 | 120.8° | 120.9° |
| C12 | C13 | H3 | 119.6° | 119.5° |
| C13 | C12 | H12 | 119.6° | 119.5° |
| N1 | C2 | C15 | 121.7° | 118.3° |
| N1 | C2 | N | 118.2° | 120.8° |
| C2 | C15 | C14 | 124.4° | 122.1° |
| C15 | C2 | N | 120.1° | 120.8° |
| C15 | C14 | C13 | 119.9° | 119.6° |
| C15 | C14 | H13 | 120.0° | 120.2° |
| C14 | C13 | H3 | 119.6° | 119.6° |
| C13 | C14 | H13 | 120.0° | 120.2° |
| C2 | N | C1 | 123.5° | 120.0° |
| C2 | N | H6 | 105.8° | 120.0° |
| N | C1 | C | 111.8° | 109.5° |
| N | C1 | C16 | 107.1° | 109.4° |
| C1 | N | H6 | 105.9° | 120.1° |
| N | C1 | H10 | 110.5° | 109.5° |
| C | C1 | C16 | 107.5° | 109.4° |
| C1 | C | H7 | 109.5° | 109.5° |
| C1 | C | H8 | 109.5° | 109.4° |
| C1 | C | H9 | 109.4° | 109.5° |
| C | C1 | H10 | 109.8° | 109.5° |
| C1 | C16 | C18 | 117.6° | 117.5° |
| C1 | C16 | C17 | 117.9° | 117.5° |
| C16 | C1 | H10 | 110.0° | 109.4° |
| C1 | C16 | H14 | 116.4° | 115.6° |
| C16 | C18 | C17 | 60.3° | 60.0° |
| C18 | C16 | C17 | 59.9° | 60.0° |
| C18 | C16 | H14 | 116.6° | 117.5° |
| C16 | C18 | H15 | 119.9° | 117.5° |
| C16 | C18 | H16 | 120.0° | 117.5° |
| C18 | C17 | C16 | 59.8° | 60.1° |
| C18 | C17 | H4 | 120.0° | 117.5° |
| C18 | C17 | H5 | 120.0° | 117.5° |
| C17 | C18 | H15 | 119.9° | 117.5° |
| C17 | C18 | H16 | 120.0° | 117.5° |
| C16 | C17 | H4 | 120.0° | 117.4° |
| C16 | C17 | H5 | 120.0° | 117.5° |
| C17 | C16 | H14 | 116.5° | 117.5° |
| H4 | C17 | H5 | 109.4° | 115.5° |
| H7 | C | H8 | 109.5° | 109.5° |
| H7 | C | H9 | 109.5° | 109.5° |
| H8 | C | H9 | 109.5° | 109.5° |
| H15 | C18 | H16 | 109.5° | 115.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CL | C8 | C9 | C7 | 179.9° | 179.5° |
| CL | C8 | C9 | C4 | 179.2° | 180.0° |
| CL | C8 | C7 | F | 0.6° | 0.2° |
| CL | C8 | C7 | C6 | 179.7° | 179.7° |
| CL | C8 | C9 | H17 | 0.8° | 0.6° |
| C8 | C9 | C4 | H17 | 180.0° | 179.4° |
| C9 | C8 | C7 | F | 179.5° | 179.7° |
| C9 | C8 | C7 | C6 | 0.3° | 0.3° |
| C8 | C9 | C4 | N2 | 170.8° | 179.7° |
| C8 | C9 | C4 | C5 | 1.7° | 0.5° |
| C7 | C8 | C9 | C4 | 0.7° | 0.5° |
| C8 | C7 | F | C6 | 179.2° | 180.0° |
| C8 | C7 | C6 | C5 | 0.4° | 0.0° |
| C8 | C7 | C6 | H2 | 179.6° | 180.0° |
| C7 | C8 | C9 | H17 | 179.3° | 180.0° |
| C9 | C4 | N2 | C5 | 172.6° | 179.8° |
| C9 | C4 | N2 | C3 | 168.3° | 33.8° |
| C9 | C4 | C5 | C6 | 1.7° | 0.3° |
| C9 | C4 | C5 | H1 | 178.2° | 179.8° |
| C9 | C4 | N2 | H18 | 11.7° | 146.1° |
| F | C7 | C6 | C5 | 179.6° | 180.0° |
| F | C7 | C6 | H2 | 0.4° | 0.0° |
| C7 | C6 | C5 | C4 | 0.7° | 0.0° |
| C7 | C6 | C5 | H2 | 180.0° | 180.0° |
| C7 | C6 | C5 | H1 | 179.3° | 179.9° |
| C4 | N2 | C3 | H18 | 180.0° | 179.9° |
| C4 | N2 | C3 | N3 | 168.9° | 5.6° |
| C4 | N2 | C3 | N1 | 3.7° | 174.4° |
| N2 | C4 | C5 | C6 | 170.9° | 180.0° |
| N2 | C4 | C5 | H1 | 9.2° | 0.1° |
| N2 | C4 | C9 | H17 | 9.2° | 0.3° |
| C5 | C4 | N2 | C3 | 4.3° | 146.4° |
| C4 | C5 | C6 | H1 | 180.0° | 179.9° |
| C4 | C5 | C6 | H2 | 179.4° | 180.0° |
| C5 | C4 | C9 | H17 | 178.3° | 180.0° |
| C5 | C4 | N2 | H18 | 175.7° | 33.6° |
| N2 | C3 | N3 | N1 | 172.1° | 179.9° |
| N2 | C3 | N3 | C10 | 169.2° | 180.0° |
| N2 | C3 | N1 | C2 | 169.2° | 180.0° |
| C3 | N3 | C10 | C11 | 177.5° | 180.0° |
| C3 | N3 | C10 | C15 | 1.4° | 0.0° |
| N3 | C3 | N1 | C2 | 2.1° | 0.0° |
| N3 | C3 | N2 | H18 | 11.1° | 174.4° |
| N3 | C10 | C11 | C15 | 178.9° | 180.0° |
| N3 | C10 | C11 | C12 | 178.7° | 180.0° |
| C10 | N3 | C3 | N1 | 2.9° | 0.0° |
| N3 | C10 | C15 | C2 | 0.7° | 0.0° |
| N3 | C10 | C15 | C14 | 178.6° | 180.0° |
| N3 | C10 | C11 | H11 | 1.3° | 0.0° |
| C10 | C11 | C12 | H11 | 180.0° | 180.0° |
| C10 | C11 | C12 | C13 | 0.1° | 0.0° |
| C11 | C10 | C15 | C2 | 179.6° | 180.0° |
| C11 | C10 | C15 | C14 | 0.2° | 0.0° |
| C10 | C11 | C12 | H12 | 179.9° | 179.9° |
| C12 | C11 | C10 | C15 | 0.2° | 0.0° |
| C11 | C12 | C13 | H12 | 180.0° | 179.9° |
| C11 | C12 | C13 | C14 | 0.0° | 0.0° |
| C11 | C12 | C13 | H3 | 180.0° | 180.0° |
| C3 | N1 | C2 | C15 | 0.4° | 0.0° |
| C3 | N1 | C2 | N | 179.1° | 180.0° |
| N1 | C3 | N2 | H18 | 176.3° | 5.5° |
| C10 | C15 | C2 | N1 | 1.6° | 0.0° |
| C10 | C15 | C2 | C14 | 179.3° | 180.0° |
| C10 | C15 | C14 | C13 | 0.1° | 0.0° |
| C10 | C15 | C2 | N | 177.9° | 180.0° |
| C15 | C10 | C11 | H11 | 179.8° | 180.0° |
| C10 | C15 | C14 | H13 | 180.0° | 180.0° |
| C12 | C13 | C14 | C15 | 0.1° | 0.0° |
| C12 | C13 | C14 | H3 | 180.0° | 180.0° |
| C13 | C12 | C11 | H11 | 179.9° | 180.0° |
| C12 | C13 | C14 | H13 | 179.9° | 180.0° |
| N1 | C2 | C15 | N | 179.5° | 180.0° |
| N1 | C2 | C15 | C14 | 177.7° | 180.0° |
| N1 | C2 | N | C1 | 0.0° | 0.1° |
| N1 | C2 | N | H6 | 122.0° | 180.0° |
| C2 | C15 | C14 | C13 | 179.4° | 180.0° |
| C15 | C2 | N | C1 | 179.5° | 180.0° |
| C15 | C2 | N | H6 | 57.5° | 0.0° |
| C2 | C15 | C14 | H13 | 0.7° | 0.0° |
| C15 | C14 | C13 | H13 | 180.0° | 180.0° |
| C14 | C15 | C2 | N | 2.8° | 0.0° |
| C15 | C14 | C13 | H3 | 179.9° | 180.0° |
| C14 | C13 | C12 | H12 | 180.0° | 179.9° |
| C2 | N | C1 | H6 | 121.9° | 180.0° |
| C2 | N | C1 | C | 154.9° | 85.0° |
| C2 | N | C1 | C16 | 87.5° | 155.0° |
| C2 | N | C1 | H10 | 32.2° | 35.1° |
| N | C1 | C | C16 | 117.3° | 120.0° |
| N | C1 | C | H10 | 123.1° | 120.1° |
| N | C1 | C16 | H10 | 120.1° | 120.0° |
| N | C1 | C16 | C18 | 109.6° | 111.4° |
| N | C1 | C16 | C17 | 178.3° | 180.0° |
| N | C1 | C | H7 | 180.0° | 60.0° |
| N | C1 | C | H8 | 60.0° | 60.1° |
| N | C1 | C | H9 | 60.0° | 180.0° |
| N | C1 | C16 | H14 | 35.9° | 34.3° |
| C | C1 | C16 | H10 | 119.6° | 120.0° |
| C | C1 | C16 | C18 | 130.0° | 128.6° |
| C | C1 | C16 | C17 | 61.3° | 60.1° |
| C | C1 | N | H6 | 83.2° | 95.0° |
| C1 | C | H7 | H8 | 120.0° | 120.0° |
| C1 | C | H7 | H9 | 120.0° | 120.0° |
| C1 | C | H8 | H9 | 120.0° | 120.0° |
| C | C1 | C16 | H14 | 84.4° | 85.7° |
| C1 | C16 | C18 | C17 | 107.9° | 107.5° |
| C1 | C16 | C18 | H14 | 145.5° | 145.0° |
| C1 | C16 | C17 | H14 | 145.8° | 145.1° |
| C1 | C16 | C17 | H4 | 2.1° | 145.0° |
| C1 | C16 | C17 | H5 | 143.2° | 0.1° |
| C16 | C1 | N | H6 | 34.4° | 25.0° |
| C16 | C1 | C | H7 | 62.7° | 60.0° |
| C16 | C1 | C | H8 | 57.3° | 180.0° |
| C16 | C1 | C | H9 | 177.3° | 60.0° |
| C1 | C16 | C18 | H15 | 1.6° | 145.0° |
| C1 | C16 | C18 | H16 | 142.5° | 0.0° |
| C16 | C18 | C17 | H15 | 109.5° | 107.5° |
| C16 | C18 | C17 | H16 | 109.6° | 107.4° |
| C18 | C16 | C17 | H14 | 106.8° | 107.4° |
| C16 | C18 | C17 | H4 | 109.4° | 107.5° |
| C16 | C18 | C17 | H5 | 109.4° | 107.5° |
| C18 | C16 | C1 | H10 | 10.5° | 8.6° |
| C16 | C18 | H15 | H16 | 144.6° | 145.7° |
| C18 | C17 | H4 | H5 | 144.8° | 145.7° |
| C17 | C18 | H15 | H16 | 144.6° | 145.7° |
| C16 | C17 | H4 | H5 | 144.8° | 145.6° |
| C17 | C16 | C1 | H10 | 58.2° | 59.9° |
| H1 | C5 | C6 | H2 | 0.7° | 0.1° |
| H3 | C13 | C12 | H12 | 0.0° | 0.1° |
| H3 | C13 | C14 | H13 | 0.1° | 0.0° |
| H4 | C17 | C16 | H14 | 143.7° | 0.1° |
| H4 | C17 | C18 | H15 | 0.1° | 0.0° |
| H4 | C17 | C18 | H16 | 141.0° | 145.1° |
| H5 | C17 | C16 | H14 | 2.6° | 145.0° |
| H5 | C17 | C18 | H15 | 141.1° | 145.0° |
| H5 | C17 | C18 | H16 | 0.2° | 0.1° |
| H6 | N | C1 | H10 | 154.2° | 144.9° |
| H7 | C | H8 | H9 | 120.0° | 120.0° |
| H7 | C | C1 | H10 | 57.0° | 180.0° |
| H8 | C | C1 | H10 | 176.9° | 60.0° |
| H9 | C | C1 | H10 | 63.1° | 59.9° |
| H10 | C1 | C16 | H14 | 156.0° | 154.3° |
| H11 | C11 | C12 | H12 | 0.1° | 0.1° |
| H14 | C16 | C18 | H15 | 143.9° | 0.0° |
| H14 | C16 | C18 | H16 | 2.9° | 145.0° |
