F5F
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C15 | C10 | sing | 1.53Å | 1.52Å | |
| O9 | C4 | doub | 1.22Å | 1.19Å | |
| N3 | C4 | sing | 1.35Å | 1.35Å | |
| N3 | C2 | sing | 1.36Å | 1.35Å | |
| C10 | C11 | sing | 1.53Å | 1.52Å | |
| C10 | C7 | sing | 1.53Å | 1.53Å | |
| C4 | C5 | sing | 1.40Å | 1.40Å | |
| C2 | C1 | doub | 1.35Å | 1.38Å | |
| C11 | C12 | sing | 1.53Å | 1.53Å | |
| C5 | C7 | sing | 1.51Å | 1.54Å | |
| C5 | C6 | doub | 1.38Å | 1.35Å | |
| C1 | C6 | sing | 1.41Å | 1.35Å | |
| C12 | C16 | sing | 1.53Å | 1.53Å | |
| C12 | C13 | sing | 1.53Å | 1.53Å | |
| C7 | C14 | sing | 1.53Å | 1.53Å | |
| C6 | O8 | sing | 1.35Å | 1.40Å | |
| C14 | C13 | sing | 1.53Å | 1.53Å | |
| C14 | C17 | sing | 1.51Å | 1.52Å | |
| C17 | C18 | doub | 1.31Å | 1.31Å | |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C7 | H4 | sing | 1.09Å | 1.10Å | |
| C10 | H5 | sing | 1.09Å | 1.10Å | |
| C11 | H6 | sing | 1.09Å | 1.10Å | |
| C11 | H7 | sing | 1.09Å | 1.10Å | |
| C12 | H8 | sing | 1.09Å | 1.10Å | |
| C13 | H9 | sing | 1.09Å | 1.10Å | |
| C13 | H10 | sing | 1.09Å | 1.10Å | |
| C14 | H11 | sing | 1.09Å | 1.10Å | |
| C15 | H12 | sing | 1.09Å | 1.10Å | |
| C15 | H13 | sing | 1.09Å | 1.10Å | |
| C15 | H14 | sing | 1.09Å | 1.10Å | |
| C16 | H15 | sing | 1.09Å | 1.10Å | |
| C16 | H16 | sing | 1.09Å | 1.10Å | |
| C16 | H17 | sing | 1.09Å | 1.10Å | |
| C17 | H18 | sing | 1.08Å | 1.08Å | |
| C18 | H19 | sing | 1.08Å | 1.08Å | |
| C18 | H20 | sing | 1.08Å | 1.08Å | |
| O8 | H21 | sing | 0.97Å | 0.95Å | |
| N3 | H3 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C15 | C10 | C11 | 110.1° | 109.5° |
| C15 | C10 | C7 | 110.6° | 109.5° |
| C15 | C10 | H5 | 109.5° | 109.5° |
| C10 | C15 | H12 | 109.5° | 109.5° |
| C10 | C15 | H13 | 109.5° | 109.4° |
| C10 | C15 | H14 | 109.5° | 109.5° |
| O9 | C4 | N3 | 117.7° | 119.9° |
| O9 | C4 | C5 | 122.8° | 119.9° |
| C4 | N3 | C2 | 120.6° | 121.0° |
| N3 | C4 | C5 | 119.5° | 120.2° |
| C4 | N3 | H3 | 119.7° | 119.5° |
| N3 | C2 | C1 | 119.9° | 120.9° |
| N3 | C2 | H2 | 120.0° | 119.5° |
| C2 | N3 | H3 | 119.7° | 119.5° |
| C11 | C10 | C7 | 107.8° | 109.5° |
| C10 | C11 | C12 | 109.1° | 109.5° |
| C11 | C10 | H5 | 109.5° | 109.5° |
| C10 | C11 | H6 | 109.5° | 109.5° |
| C10 | C11 | H7 | 109.6° | 109.5° |
| C10 | C7 | C5 | 109.8° | 109.5° |
| C10 | C7 | C14 | 109.6° | 109.5° |
| C10 | C7 | H4 | 107.8° | 109.4° |
| C7 | C10 | H5 | 109.3° | 109.4° |
| C4 | C5 | C7 | 124.2° | 120.5° |
| C4 | C5 | C6 | 119.3° | 119.1° |
| C2 | C1 | C6 | 120.1° | 119.8° |
| C2 | C1 | H1 | 120.0° | 120.1° |
| C1 | C2 | H2 | 120.1° | 119.6° |
| C11 | C12 | C16 | 108.3° | 109.5° |
| C11 | C12 | C13 | 112.5° | 109.5° |
| C12 | C11 | H6 | 109.6° | 109.4° |
| C12 | C11 | H7 | 109.6° | 109.5° |
| C11 | C12 | H8 | 109.4° | 109.5° |
| C7 | C5 | C6 | 116.5° | 120.4° |
| C5 | C7 | C14 | 113.9° | 109.5° |
| C5 | C7 | H4 | 107.6° | 109.5° |
| C5 | C6 | C1 | 120.6° | 118.9° |
| C5 | C6 | O8 | 119.5° | 120.5° |
| C1 | C6 | O8 | 119.8° | 120.5° |
| C6 | C1 | H1 | 120.0° | 120.1° |
| C16 | C12 | C13 | 107.7° | 109.4° |
| C16 | C12 | H8 | 109.4° | 109.5° |
| C12 | C16 | H15 | 109.5° | 109.4° |
| C12 | C16 | H16 | 109.5° | 109.5° |
| C12 | C16 | H17 | 109.5° | 109.4° |
| C12 | C13 | C14 | 115.0° | 109.4° |
| C13 | C12 | H8 | 109.4° | 109.5° |
| C12 | C13 | H9 | 108.0° | 109.5° |
| C12 | C13 | H10 | 108.1° | 109.5° |
| C7 | C14 | C13 | 111.8° | 109.5° |
| C7 | C14 | C17 | 108.0° | 109.5° |
| C14 | C7 | H4 | 107.8° | 109.5° |
| C7 | C14 | H11 | 110.3° | 109.5° |
| C6 | O8 | H21 | 109.5° | 114.0° |
| C13 | C14 | C17 | 105.6° | 109.5° |
| C14 | C13 | H9 | 108.1° | 109.5° |
| C14 | C13 | H10 | 108.0° | 109.5° |
| C13 | C14 | H11 | 110.4° | 109.5° |
| C14 | C17 | C18 | 119.8° | 120.0° |
| C17 | C14 | H11 | 110.5° | 109.5° |
| C14 | C17 | H18 | 120.1° | 120.0° |
| C18 | C17 | H18 | 120.1° | 119.9° |
| C17 | C18 | H19 | 120.0° | 120.0° |
| C17 | C18 | H20 | 120.0° | 120.0° |
| H6 | C11 | H7 | 109.5° | 109.5° |
| H9 | C13 | H10 | 109.5° | 109.5° |
| H12 | C15 | H13 | 109.5° | 109.5° |
| H12 | C15 | H14 | 109.5° | 109.5° |
| H13 | C15 | H14 | 109.4° | 109.5° |
| H15 | C16 | H16 | 109.5° | 109.5° |
| H15 | C16 | H17 | 109.5° | 109.5° |
| H16 | C16 | H17 | 109.5° | 109.5° |
| H19 | C18 | H20 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C15 | C10 | C11 | C7 | 120.7° | 120.1° |
| C15 | C10 | C11 | H5 | 120.4° | 120.0° |
| C15 | C10 | C7 | H5 | 120.6° | 120.0° |
| C15 | C10 | C11 | C12 | 173.9° | 180.0° |
| C15 | C10 | C7 | C5 | 48.2° | 60.0° |
| C15 | C10 | C7 | C14 | 174.1° | 180.0° |
| C15 | C10 | C7 | H4 | 68.9° | 60.0° |
| C15 | C10 | C11 | H6 | 53.9° | 60.0° |
| C15 | C10 | C11 | H7 | 66.2° | 60.0° |
| C10 | C15 | H12 | H13 | 120.0° | 120.0° |
| C10 | C15 | H12 | H14 | 120.0° | 120.0° |
| C10 | C15 | H13 | H14 | 120.0° | 120.0° |
| O9 | C4 | N3 | C5 | 180.0° | 179.4° |
| O9 | C4 | N3 | C2 | 180.0° | 179.7° |
| O9 | C4 | C5 | C7 | 0.9° | 0.6° |
| O9 | C4 | C5 | C6 | 180.0° | 180.0° |
| O9 | C4 | N3 | H3 | 0.0° | 0.6° |
| C4 | N3 | C2 | H3 | 180.0° | 179.7° |
| C4 | N3 | C2 | C1 | 0.1° | 0.0° |
| N3 | C4 | C5 | C7 | 179.1° | 179.9° |
| N3 | C4 | C5 | C6 | 0.0° | 0.6° |
| C4 | N3 | C2 | H2 | 179.9° | 180.0° |
| C2 | N3 | C4 | C5 | 0.1° | 0.4° |
| N3 | C2 | C1 | H2 | 180.0° | 180.0° |
| N3 | C2 | C1 | C6 | 0.1° | 0.0° |
| N3 | C2 | C1 | H1 | 179.9° | 179.8° |
| C11 | C10 | C7 | H5 | 119.0° | 120.0° |
| C10 | C11 | C12 | H6 | 119.9° | 120.0° |
| C10 | C11 | C12 | H7 | 119.9° | 120.0° |
| C11 | C10 | C7 | C5 | 168.5° | 180.0° |
| C10 | C11 | C12 | C16 | 173.7° | 180.0° |
| C10 | C11 | C12 | C13 | 54.8° | 60.0° |
| C11 | C10 | C7 | C14 | 65.5° | 60.0° |
| C11 | C10 | C7 | H4 | 51.5° | 60.0° |
| C10 | C11 | H6 | H7 | 120.2° | 120.0° |
| C10 | C11 | C12 | H8 | 67.0° | 60.0° |
| C11 | C10 | C15 | H12 | 180.0° | 60.0° |
| C11 | C10 | C15 | H13 | 60.0° | 180.0° |
| C11 | C10 | C15 | H14 | 60.0° | 60.0° |
| C10 | C7 | C5 | C4 | 62.3° | 60.0° |
| C7 | C10 | C11 | C12 | 65.4° | 60.0° |
| C10 | C7 | C5 | C14 | 123.4° | 120.1° |
| C10 | C7 | C5 | H4 | 117.1° | 120.0° |
| C10 | C7 | C5 | C6 | 116.8° | 119.4° |
| C10 | C7 | C14 | H4 | 117.1° | 120.0° |
| C10 | C7 | C14 | C13 | 54.2° | 60.0° |
| C10 | C7 | C14 | C17 | 170.0° | 180.0° |
| C7 | C10 | C11 | H6 | 174.7° | 179.9° |
| C7 | C10 | C11 | H7 | 54.5° | 60.1° |
| C10 | C7 | C14 | H11 | 69.1° | 60.0° |
| C7 | C10 | C15 | H12 | 60.9° | 180.0° |
| C7 | C10 | C15 | H13 | 59.1° | 60.0° |
| C7 | C10 | C15 | H14 | 179.1° | 60.0° |
| C4 | C5 | C7 | C6 | 179.2° | 179.4° |
| C4 | C5 | C6 | C1 | 0.0° | 0.5° |
| C4 | C5 | C7 | C14 | 61.1° | 60.0° |
| C4 | C5 | C6 | O8 | 179.8° | 179.4° |
| C4 | C5 | C7 | H4 | 179.5° | 180.0° |
| C5 | C4 | N3 | H3 | 180.0° | 180.0° |
| C2 | C1 | C6 | C5 | 0.0° | 0.2° |
| C2 | C1 | C6 | H1 | 180.0° | 179.8° |
| C2 | C1 | C6 | O8 | 179.8° | 179.7° |
| C1 | C2 | N3 | H3 | 179.9° | 179.7° |
| C11 | C12 | C16 | C13 | 121.9° | 120.0° |
| C11 | C12 | C16 | H8 | 119.2° | 120.0° |
| C11 | C12 | C13 | H8 | 121.8° | 120.0° |
| C11 | C12 | C13 | C14 | 44.7° | 60.0° |
| C12 | C11 | C10 | H5 | 53.5° | 60.0° |
| C12 | C11 | H6 | H7 | 120.2° | 120.0° |
| C11 | C12 | C13 | H9 | 165.5° | 180.0° |
| C11 | C12 | C13 | H10 | 76.1° | 60.0° |
| C11 | C12 | C16 | H15 | 180.0° | 60.0° |
| C11 | C12 | C16 | H16 | 60.0° | 180.0° |
| C11 | C12 | C16 | H17 | 60.0° | 60.0° |
| C7 | C5 | C6 | C1 | 179.2° | 180.0° |
| C5 | C7 | C14 | H4 | 119.4° | 120.0° |
| C7 | C5 | C6 | O8 | 1.0° | 0.0° |
| C5 | C7 | C14 | C13 | 177.8° | 180.0° |
| C5 | C7 | C14 | C17 | 66.5° | 60.0° |
| C5 | C7 | C10 | H5 | 72.5° | 60.0° |
| C5 | C7 | C14 | H11 | 54.4° | 60.0° |
| C5 | C6 | C1 | O8 | 179.8° | 180.0° |
| C6 | C5 | C7 | C14 | 119.7° | 120.5° |
| C5 | C6 | C1 | H1 | 180.0° | 180.0° |
| C6 | C5 | C7 | H4 | 0.3° | 0.5° |
| C5 | C6 | O8 | H21 | 180.0° | 180.0° |
| C6 | C1 | C2 | H2 | 179.9° | 179.9° |
| C1 | C6 | O8 | H21 | 0.2° | 0.0° |
| C16 | C12 | C13 | H8 | 118.9° | 120.0° |
| C16 | C12 | C13 | C14 | 164.0° | 180.0° |
| C16 | C12 | C11 | H6 | 66.3° | 60.0° |
| C16 | C12 | C11 | H7 | 53.8° | 60.0° |
| C16 | C12 | C13 | H9 | 75.2° | 60.0° |
| C16 | C12 | C13 | H10 | 43.2° | 60.0° |
| C12 | C16 | H15 | H16 | 120.0° | 120.0° |
| C12 | C16 | H15 | H17 | 120.0° | 119.9° |
| C12 | C16 | H16 | H17 | 120.0° | 120.0° |
| C12 | C13 | C14 | C7 | 44.2° | 60.0° |
| C12 | C13 | C14 | H9 | 120.8° | 120.0° |
| C12 | C13 | C14 | H10 | 120.8° | 120.0° |
| C12 | C13 | C14 | C17 | 161.4° | 180.0° |
| C13 | C12 | C11 | H6 | 174.7° | 180.0° |
| C13 | C12 | C11 | H7 | 65.1° | 60.0° |
| C12 | C13 | H9 | H10 | 117.5° | 120.0° |
| C12 | C13 | C14 | H11 | 79.1° | 60.0° |
| C13 | C12 | C16 | H15 | 58.1° | 60.0° |
| C13 | C12 | C16 | H16 | 178.1° | 60.0° |
| C13 | C12 | C16 | H17 | 61.9° | 180.0° |
| C7 | C14 | C13 | C17 | 117.2° | 120.0° |
| C7 | C14 | C13 | H11 | 123.3° | 120.0° |
| C7 | C14 | C17 | H11 | 120.8° | 120.0° |
| C7 | C14 | C17 | C18 | 92.2° | 120.0° |
| C14 | C7 | C10 | H5 | 53.4° | 60.0° |
| C7 | C14 | C13 | H9 | 165.0° | 180.0° |
| C7 | C14 | C13 | H10 | 76.7° | 60.0° |
| C7 | C14 | C17 | H18 | 87.8° | 60.0° |
| O8 | C6 | C1 | H1 | 0.2° | 0.1° |
| C13 | C14 | C17 | H11 | 119.4° | 120.0° |
| C13 | C14 | C17 | C18 | 148.0° | 120.0° |
| C13 | C14 | C7 | H4 | 62.9° | 60.0° |
| C14 | C13 | C12 | H8 | 77.2° | 60.0° |
| C14 | C13 | H9 | H10 | 117.5° | 120.0° |
| C13 | C14 | C17 | H18 | 32.0° | 60.0° |
| C14 | C17 | C18 | H18 | 180.0° | 180.0° |
| C17 | C14 | C7 | H4 | 52.9° | 60.0° |
| C17 | C14 | C13 | H9 | 77.9° | 60.0° |
| C17 | C14 | C13 | H10 | 40.5° | 60.0° |
| C14 | C17 | C18 | H19 | 180.0° | 180.0° |
| C14 | C17 | C18 | H20 | 0.0° | 0.1° |
| C18 | C17 | C14 | H11 | 28.6° | 0.1° |
| C17 | C18 | H19 | H20 | 180.0° | 179.9° |
| H1 | C1 | C2 | H2 | 0.1° | 0.2° |
| H2 | C2 | N3 | H3 | 0.1° | 0.3° |
| H4 | C7 | C10 | H5 | 170.5° | NaN° |
| H4 | C7 | C14 | H11 | 173.8° | 180.0° |
| H5 | C10 | C11 | H6 | 66.4° | 60.0° |
| H5 | C10 | C11 | H7 | 173.4° | 180.0° |
| H5 | C10 | C15 | H12 | 59.6° | 60.0° |
| H5 | C10 | C15 | H13 | 179.6° | 60.0° |
| H5 | C10 | C15 | H14 | 60.4° | NaN° |
| H6 | C11 | C12 | H8 | 52.9° | 60.0° |
| H7 | C11 | C12 | H8 | 173.1° | NaN° |
| H8 | C12 | C13 | H9 | 43.6° | 60.0° |
| H8 | C12 | C13 | H10 | 162.0° | 180.0° |
| H8 | C12 | C16 | H15 | 60.7° | 180.0° |
| H8 | C12 | C16 | H16 | 59.3° | 60.0° |
| H8 | C12 | C16 | H17 | 179.3° | 60.1° |
| H9 | C13 | C14 | H11 | 41.7° | 60.0° |
| H10 | C13 | C14 | H11 | 160.1° | 180.0° |
| H11 | C14 | C17 | H18 | 151.5° | 180.0° |
| H12 | C15 | H13 | H14 | 120.0° | 120.0° |
| H15 | C16 | H16 | H17 | 120.0° | 120.0° |
| H18 | C17 | C18 | H19 | 0.0° | 0.0° |
| H18 | C17 | C18 | H20 | 180.0° | 180.0° |
