FV4
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C18 | C17 | sing | 1.51Å | 1.49Å | |
| N3 | C13 | sing | 1.47Å | 1.48Å | |
| N3 | C14 | sing | 1.47Å | 1.48Å | |
| C13 | C12 | sing | 1.53Å | 1.54Å | |
| F | C19 | sing | 1.35Å | 1.33Å | |
| C17 | C19 | doub | 1.38Å | 1.40Å | Aromatic |
| C17 | C16 | sing | 1.38Å | 1.39Å | Aromatic |
| C19 | C1 | sing | 1.38Å | 1.39Å | Aromatic |
| C14 | C15 | sing | 1.53Å | 1.53Å | |
| C16 | C3 | doub | 1.38Å | 1.39Å | Aromatic |
| C12 | N2 | sing | 1.47Å | 1.45Å | |
| C1 | C | sing | 1.51Å | 1.50Å | |
| C1 | C2 | doub | 1.38Å | 1.40Å | Aromatic |
| C3 | C2 | sing | 1.38Å | 1.41Å | Aromatic |
| C3 | C4 | sing | 1.51Å | 1.52Å | |
| N2 | C15 | sing | 1.47Å | 1.47Å | |
| N2 | C5 | sing | 1.38Å | 1.42Å | |
| C4 | N | sing | 1.46Å | 1.44Å | |
| C5 | N | sing | 1.37Å | 1.41Å | Aromatic |
| C5 | N1 | doub | 1.31Å | 1.35Å | Aromatic |
| N | C11 | sing | 1.39Å | 1.40Å | Aromatic |
| N1 | C6 | sing | 1.36Å | 1.42Å | Aromatic |
| C11 | C6 | doub | 1.40Å | 1.42Å | Aromatic |
| C11 | C10 | sing | 1.39Å | 1.40Å | Aromatic |
| C6 | C7 | sing | 1.40Å | 1.40Å | Aromatic |
| C10 | C9 | doub | 1.38Å | 1.36Å | Aromatic |
| C7 | C8 | doub | 1.38Å | 1.38Å | Aromatic |
| C9 | C8 | sing | 1.39Å | 1.40Å | Aromatic |
| C9 | CL | sing | 1.74Å | 1.74Å | |
| N3 | H1 | sing | 1.01Å | 1.00Å | |
| C4 | H3 | sing | 1.09Å | 1.10Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C7 | H5 | sing | 1.08Å | 1.08Å | |
| C8 | H6 | sing | 1.08Å | 1.08Å | |
| C10 | H7 | sing | 1.08Å | 1.08Å | |
| C13 | H8 | sing | 1.09Å | 1.10Å | |
| C13 | H9 | sing | 1.09Å | 1.10Å | |
| C15 | H10 | sing | 1.09Å | 1.10Å | |
| C15 | H11 | sing | 1.09Å | 1.10Å | |
| C | H12 | sing | 1.09Å | 1.10Å | |
| C | H13 | sing | 1.09Å | 1.10Å | |
| C | H14 | sing | 1.09Å | 1.10Å | |
| C12 | H15 | sing | 1.09Å | 1.10Å | |
| C12 | H16 | sing | 1.09Å | 1.10Å | |
| C14 | H17 | sing | 1.09Å | 1.10Å | |
| C14 | H18 | sing | 1.09Å | 1.10Å | |
| C16 | H19 | sing | 1.08Å | 1.08Å | |
| C18 | H20 | sing | 1.09Å | 1.10Å | |
| C18 | H21 | sing | 1.09Å | 1.10Å | |
| C18 | H22 | sing | 1.09Å | 1.10Å | |
| C2 | H23 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C18 | C17 | C19 | 119.3° | 120.0° |
| C18 | C17 | C16 | 121.9° | 120.0° |
| C17 | C18 | H20 | 109.5° | 109.5° |
| C17 | C18 | H21 | 109.5° | 109.5° |
| C17 | C18 | H22 | 109.5° | 109.5° |
| C13 | N3 | C14 | 113.0° | 110.9° |
| N3 | C13 | C12 | 108.6° | 109.3° |
| C13 | N3 | H1 | 108.6° | 111.0° |
| N3 | C13 | H8 | 109.7° | 109.5° |
| N3 | C13 | H9 | 109.7° | 109.5° |
| N3 | C14 | C15 | 106.5° | 109.3° |
| C14 | N3 | H1 | 108.6° | 111.0° |
| N3 | C14 | H17 | 110.2° | 109.4° |
| N3 | C14 | H18 | 110.2° | 109.5° |
| C13 | C12 | N2 | 106.6° | 109.4° |
| C12 | C13 | H8 | 109.7° | 109.5° |
| C12 | C13 | H9 | 109.7° | 109.5° |
| C13 | C12 | H15 | 110.2° | 109.5° |
| C13 | C12 | H16 | 110.2° | 109.4° |
| F | C19 | C17 | 117.4° | 120.0° |
| F | C19 | C1 | 120.3° | 120.0° |
| C19 | C17 | C16 | 118.8° | 120.0° |
| C17 | C19 | C1 | 122.2° | 119.9° |
| C17 | C16 | C3 | 119.9° | 120.0° |
| C17 | C16 | H19 | 120.1° | 120.0° |
| C19 | C1 | C | 119.9° | 120.0° |
| C19 | C1 | C2 | 118.3° | 120.0° |
| C14 | C15 | N2 | 111.0° | 109.4° |
| C14 | C15 | H10 | 109.1° | 109.5° |
| C14 | C15 | H11 | 109.1° | 109.5° |
| C15 | C14 | H17 | 110.2° | 109.5° |
| C15 | C14 | H18 | 110.2° | 109.5° |
| C16 | C3 | C2 | 120.9° | 120.1° |
| C16 | C3 | C4 | 116.4° | 120.0° |
| C3 | C16 | H19 | 120.0° | 119.9° |
| C12 | N2 | C15 | 109.0° | 110.9° |
| C12 | N2 | C5 | 116.6° | 111.0° |
| N2 | C12 | H15 | 110.2° | 109.5° |
| N2 | C12 | H16 | 110.2° | 109.5° |
| C | C1 | C2 | 121.8° | 120.0° |
| C1 | C | H12 | 109.5° | 109.5° |
| C1 | C | H13 | 109.5° | 109.4° |
| C1 | C | H14 | 109.5° | 109.4° |
| C1 | C2 | C3 | 119.7° | 120.0° |
| C1 | C2 | H23 | 120.1° | 120.0° |
| C2 | C3 | C4 | 122.7° | 120.0° |
| C3 | C2 | H23 | 120.1° | 120.0° |
| C3 | C4 | N | 112.7° | 109.5° |
| C3 | C4 | H3 | 108.7° | 109.5° |
| C3 | C4 | H4 | 108.6° | 109.4° |
| C15 | N2 | C5 | 113.9° | 111.0° |
| N2 | C15 | H10 | 109.1° | 109.5° |
| N2 | C15 | H11 | 109.1° | 109.5° |
| N2 | C5 | N | 116.8° | 125.1° |
| N2 | C5 | N1 | 130.1° | 125.0° |
| C4 | N | C5 | 128.4° | 126.4° |
| C4 | N | C11 | 125.3° | 126.4° |
| N | C4 | H3 | 108.6° | 109.5° |
| N | C4 | H4 | 108.7° | 109.5° |
| N | C5 | N1 | 113.0° | 109.9° |
| C5 | N | C11 | 106.3° | 107.3° |
| C5 | N1 | C6 | 104.3° | 109.6° |
| N | C11 | C6 | 106.0° | 106.1° |
| N | C11 | C10 | 131.4° | 133.9° |
| N1 | C6 | C11 | 110.4° | 107.1° |
| N1 | C6 | C7 | 129.6° | 133.4° |
| C6 | C11 | C10 | 122.6° | 120.0° |
| C11 | C6 | C7 | 120.1° | 119.5° |
| C11 | C10 | C9 | 114.7° | 119.8° |
| C11 | C10 | H7 | 122.6° | 120.1° |
| C6 | C7 | C8 | 117.6° | 119.8° |
| C6 | C7 | H5 | 121.2° | 120.1° |
| C10 | C9 | C8 | 124.8° | 120.4° |
| C10 | C9 | CL | 117.5° | 119.8° |
| C9 | C10 | H7 | 122.6° | 120.1° |
| C7 | C8 | C9 | 120.2° | 120.5° |
| C8 | C7 | H5 | 121.2° | 120.1° |
| C7 | C8 | H6 | 119.9° | 119.7° |
| C8 | C9 | CL | 117.7° | 119.8° |
| C9 | C8 | H6 | 119.9° | 119.8° |
| H3 | C4 | H4 | 109.5° | 109.5° |
| H8 | C13 | H9 | 109.5° | 109.6° |
| H10 | C15 | H11 | 109.5° | 109.5° |
| H12 | C | H13 | 109.5° | 109.5° |
| H12 | C | H14 | 109.4° | 109.5° |
| H13 | C | H14 | 109.5° | 109.5° |
| H15 | C12 | H16 | 109.5° | 109.5° |
| H17 | C14 | H18 | 109.5° | 109.5° |
| H20 | C18 | H21 | 109.5° | 109.5° |
| H20 | C18 | H22 | 109.5° | 109.4° |
| H21 | C18 | H22 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C18 | C17 | C19 | F | 3.8° | 0.4° |
| C18 | C17 | C19 | C16 | 178.3° | 179.6° |
| C18 | C17 | C19 | C1 | 177.2° | 179.7° |
| C18 | C17 | C16 | C3 | 177.6° | 179.7° |
| C18 | C17 | C16 | H19 | 2.4° | 0.4° |
| C17 | C18 | H20 | H21 | 120.0° | 120.0° |
| C17 | C18 | H20 | H22 | 120.0° | 120.0° |
| C17 | C18 | H21 | H22 | 120.0° | 120.0° |
| C13 | N3 | C14 | H1 | 120.5° | 123.9° |
| N3 | C13 | C12 | H8 | 119.9° | 119.9° |
| N3 | C13 | C12 | H9 | 119.8° | 119.9° |
| C13 | N3 | C14 | C15 | 55.6° | 59.3° |
| N3 | C13 | C12 | N2 | 61.8° | 58.4° |
| N3 | C13 | H8 | H9 | 120.4° | 120.1° |
| N3 | C13 | C12 | H15 | 57.7° | 61.6° |
| N3 | C13 | C12 | H16 | 178.6° | 178.3° |
| C13 | N3 | C14 | H17 | 63.9° | 60.6° |
| C13 | N3 | C14 | H18 | 175.2° | 179.3° |
| C14 | N3 | C13 | C12 | 59.6° | 59.3° |
| N3 | C14 | C15 | H17 | 119.5° | 119.9° |
| N3 | C14 | C15 | H18 | 119.5° | 120.0° |
| N3 | C14 | C15 | N2 | 57.3° | 58.4° |
| C14 | N3 | C13 | H8 | 179.5° | 179.3° |
| C14 | N3 | C13 | H9 | 60.3° | 60.6° |
| N3 | C14 | C15 | H10 | 177.5° | 178.3° |
| N3 | C14 | C15 | H11 | 63.0° | 61.6° |
| N3 | C14 | H17 | H18 | 121.3° | 120.0° |
| C13 | C12 | N2 | H15 | 119.6° | 120.0° |
| C13 | C12 | N2 | H16 | 119.6° | 119.9° |
| C13 | C12 | N2 | C15 | 65.0° | 59.3° |
| C13 | C12 | N2 | C5 | 164.3° | 176.8° |
| C12 | C13 | N3 | H1 | 179.9° | 176.8° |
| C12 | C13 | H8 | H9 | 120.4° | 120.1° |
| C13 | C12 | H15 | H16 | 121.3° | 120.0° |
| F | C19 | C17 | C1 | 179.1° | 179.8° |
| F | C19 | C17 | C16 | 177.9° | 180.0° |
| F | C19 | C1 | C | 2.2° | 0.1° |
| F | C19 | C1 | C2 | 177.9° | 180.0° |
| C19 | C17 | C16 | C3 | 0.7° | 0.1° |
| C17 | C19 | C1 | C | 178.8° | 179.9° |
| C17 | C19 | C1 | C2 | 1.1° | 0.2° |
| C19 | C17 | C16 | H19 | 179.3° | 180.0° |
| C19 | C17 | C18 | H20 | 90.8° | 90.0° |
| C19 | C17 | C18 | H21 | 149.1° | 149.9° |
| C19 | C17 | C18 | H22 | 29.1° | 29.9° |
| C16 | C17 | C19 | C1 | 1.1° | 0.1° |
| C17 | C16 | C3 | H19 | 180.0° | 180.0° |
| C17 | C16 | C3 | C2 | 0.3° | 0.0° |
| C17 | C16 | C3 | C4 | 178.0° | 180.0° |
| C16 | C17 | C18 | H20 | 90.9° | 90.3° |
| C16 | C17 | C18 | H21 | 29.1° | 29.7° |
| C16 | C17 | C18 | H22 | 149.1° | 149.7° |
| C19 | C1 | C | C2 | 179.9° | 179.9° |
| C19 | C1 | C2 | C3 | 0.7° | 0.2° |
| C19 | C1 | C | H12 | 89.9° | 90.1° |
| C19 | C1 | C | H13 | 150.1° | 30.0° |
| C19 | C1 | C | H14 | 30.1° | 149.9° |
| C19 | C1 | C2 | H23 | 179.4° | 180.0° |
| C14 | C15 | N2 | C12 | 64.8° | 59.3° |
| C14 | C15 | N2 | H10 | 120.2° | 120.0° |
| C14 | C15 | N2 | H11 | 120.3° | 120.0° |
| C14 | C15 | N2 | C5 | 163.0° | 176.8° |
| C15 | C14 | N3 | H1 | 176.2° | 176.8° |
| C14 | C15 | H10 | H11 | 119.3° | 120.1° |
| C15 | C14 | H17 | H18 | 121.4° | 120.1° |
| C16 | C3 | C2 | C1 | 0.3° | 0.1° |
| C16 | C3 | C2 | C4 | 178.2° | 179.9° |
| C16 | C3 | C4 | N | 165.9° | 89.1° |
| C16 | C3 | C4 | H3 | 73.6° | 30.9° |
| C16 | C3 | C4 | H4 | 45.4° | 150.9° |
| C16 | C3 | C2 | H23 | 179.8° | 180.0° |
| C12 | N2 | C15 | C5 | 132.1° | 123.9° |
| C12 | N2 | C5 | N | 122.5° | 161.7° |
| C12 | N2 | C5 | N1 | 60.9° | 18.3° |
| N2 | C12 | C13 | H8 | 178.3° | 178.4° |
| N2 | C12 | C13 | H9 | 58.0° | 61.5° |
| C12 | N2 | C15 | H10 | 174.9° | 179.3° |
| C12 | N2 | C15 | H11 | 55.4° | 60.7° |
| N2 | C12 | H15 | H16 | 121.3° | 120.1° |
| C | C1 | C2 | C3 | 179.2° | 179.9° |
| C1 | C | H12 | H13 | 120.0° | 120.0° |
| C1 | C | H12 | H14 | 120.0° | 120.0° |
| C1 | C | H13 | H14 | 120.0° | 120.0° |
| C | C1 | C2 | H23 | 0.8° | 0.1° |
| C1 | C2 | C3 | H23 | 180.0° | 179.9° |
| C1 | C2 | C3 | C4 | 177.9° | 180.0° |
| C2 | C1 | C | H12 | 89.9° | 90.0° |
| C2 | C1 | C | H13 | 30.1° | 150.0° |
| C2 | C1 | C | H14 | 150.1° | 30.0° |
| C2 | C3 | C4 | N | 15.8° | 90.9° |
| C2 | C3 | C4 | H3 | 104.6° | 149.1° |
| C2 | C3 | C4 | H4 | 136.3° | 29.1° |
| C2 | C3 | C16 | H19 | 179.7° | 180.0° |
| C3 | C4 | N | H3 | 120.5° | 120.0° |
| C3 | C4 | N | H4 | 120.5° | 120.0° |
| C3 | C4 | N | C5 | 91.1° | 88.7° |
| C3 | C4 | N | C11 | 88.6° | 91.1° |
| C3 | C4 | H3 | H4 | 118.5° | 120.0° |
| C4 | C3 | C16 | H19 | 2.0° | 0.0° |
| C4 | C3 | C2 | H23 | 2.1° | 0.1° |
| C15 | N2 | C5 | N | 109.1° | 74.5° |
| C15 | N2 | C5 | N1 | 67.4° | 105.5° |
| N2 | C15 | H10 | H11 | 119.3° | 120.0° |
| C15 | N2 | C12 | H15 | 54.6° | 60.7° |
| C15 | N2 | C12 | H16 | 175.4° | 179.2° |
| N2 | C15 | C14 | H17 | 62.3° | 61.5° |
| N2 | C15 | C14 | H18 | 176.8° | 178.3° |
| N2 | C5 | N | C4 | 3.8° | 0.1° |
| N2 | C5 | N | N1 | 177.2° | 180.0° |
| N2 | C5 | N | C11 | 176.5° | 180.0° |
| N2 | C5 | N1 | C6 | 176.2° | 180.0° |
| C5 | N2 | C15 | H10 | 42.8° | 56.8° |
| C5 | N2 | C15 | H11 | 76.7° | 63.2° |
| C5 | N2 | C12 | H15 | 76.1° | 63.3° |
| C5 | N2 | C12 | H16 | 44.8° | 56.9° |
| C4 | N | C5 | C11 | 179.7° | 179.9° |
| C4 | N | C5 | N1 | 179.1° | 179.9° |
| C4 | N | C11 | C6 | 179.2° | 179.9° |
| C4 | N | C11 | C10 | 1.4° | 0.2° |
| N | C4 | H3 | H4 | 118.5° | 120.0° |
| N | C5 | N1 | C6 | 0.5° | 0.0° |
| C5 | N | C11 | C6 | 0.5° | 0.0° |
| C5 | N | C11 | C10 | 178.8° | 179.9° |
| C5 | N | C4 | H3 | 148.4° | 31.3° |
| C5 | N | C4 | H4 | 29.4° | 151.3° |
| N1 | C5 | N | C11 | 0.7° | 0.0° |
| C5 | N1 | C6 | C11 | 0.1° | 0.0° |
| C5 | N1 | C6 | C7 | 179.3° | 180.0° |
| N | C11 | C6 | N1 | 0.3° | 0.0° |
| N | C11 | C6 | C10 | 179.4° | 179.9° |
| N | C11 | C6 | C7 | 179.7° | 180.0° |
| N | C11 | C10 | C9 | 179.0° | 180.0° |
| C11 | N | C4 | H3 | 31.9° | 148.8° |
| C11 | N | C4 | H4 | 150.9° | 28.8° |
| N | C11 | C10 | H7 | 1.0° | 0.1° |
| N1 | C6 | C11 | C7 | 179.5° | 180.0° |
| N1 | C6 | C11 | C10 | 179.2° | 180.0° |
| N1 | C6 | C7 | C8 | 179.0° | 180.0° |
| N1 | C6 | C7 | H5 | 1.1° | 0.0° |
| C6 | C11 | C10 | C9 | 0.3° | 0.1° |
| C11 | C6 | C7 | C8 | 0.4° | 0.0° |
| C11 | C6 | C7 | H5 | 179.6° | 180.0° |
| C6 | C11 | C10 | H7 | 179.7° | 180.0° |
| C10 | C11 | C6 | C7 | 0.3° | 0.1° |
| C11 | C10 | C9 | H7 | 180.0° | 179.8° |
| C11 | C10 | C9 | C8 | 0.7° | 0.1° |
| C11 | C10 | C9 | CL | 178.0° | 180.0° |
| C6 | C7 | C8 | H5 | 180.0° | 180.0° |
| C6 | C7 | C8 | C9 | 0.1° | 0.0° |
| C6 | C7 | C8 | H6 | 179.9° | 180.0° |
| C10 | C9 | C8 | C7 | 0.6° | 0.1° |
| C10 | C9 | C8 | CL | 178.7° | 179.9° |
| C10 | C9 | C8 | H6 | 179.4° | 179.9° |
| C7 | C8 | C9 | H6 | 180.0° | 180.0° |
| C7 | C8 | C9 | CL | 178.1° | 179.9° |
| C9 | C8 | C7 | H5 | 180.0° | 180.0° |
| C8 | C9 | C10 | H7 | 179.2° | 180.0° |
| CL | C9 | C8 | H6 | 1.9° | 0.1° |
| CL | C9 | C10 | H7 | 2.0° | 0.1° |
| H1 | N3 | C13 | H8 | 60.0° | 56.9° |
| H1 | N3 | C13 | H9 | 60.3° | 63.2° |
| H1 | N3 | C14 | H17 | 56.6° | 63.3° |
| H1 | N3 | C14 | H18 | 64.3° | 56.8° |
| H5 | C7 | C8 | H6 | 0.0° | 0.0° |
| H8 | C13 | C12 | H15 | 62.1° | 58.3° |
| H8 | C13 | C12 | H16 | 58.8° | 61.7° |
| H9 | C13 | C12 | H15 | 177.6° | 178.5° |
| H9 | C13 | C12 | H16 | 61.5° | 58.4° |
| H10 | C15 | C14 | H17 | 58.0° | 58.4° |
| H10 | C15 | C14 | H18 | 63.0° | 61.7° |
| H11 | C15 | C14 | H17 | 177.5° | 178.5° |
| H11 | C15 | C14 | H18 | 56.5° | 58.4° |
| H12 | C | H13 | H14 | 120.0° | 120.0° |
| H20 | C18 | H21 | H22 | 120.0° | 119.9° |
