FQF
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C19 | C18 | sing | 1.51Å | 1.50Å | |
| C11 | C9 | sing | 1.53Å | 1.52Å | |
| C11 | C12 | sing | 1.51Å | 1.51Å | |
| C18 | C20 | sing | 1.51Å | 1.50Å | |
| C18 | C17 | doub | 1.31Å | 1.35Å | |
| C9 | C8 | sing | 1.51Å | 1.50Å | |
| C17 | C16 | sing | 1.51Å | 1.51Å | |
| C14 | C13 | sing | 1.51Å | 1.50Å | |
| C12 | C13 | doub | 1.31Å | 1.34Å | |
| C13 | C15 | sing | 1.51Å | 1.52Å | |
| C7 | C8 | doub | 1.31Å | 1.33Å | |
| C7 | C6 | sing | 1.51Å | 1.50Å | |
| C8 | C10 | sing | 1.51Å | 1.49Å | |
| C16 | C15 | sing | 1.53Å | 1.53Å | |
| C3 | O5 | sing | 1.43Å | 1.42Å | |
| C3 | C2 | sing | 1.53Å | 1.53Å | |
| O5 | C6 | sing | 1.43Å | 1.41Å | |
| C2 | O6 | sing | 1.43Å | 1.44Å | |
| C2 | C1 | sing | 1.53Å | 1.52Å | |
| C1 | O1 | sing | 1.43Å | 1.43Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C2 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H4 | sing | 1.09Å | 1.10Å | |
| C3 | H5 | sing | 1.09Å | 1.10Å | |
| C7 | H6 | sing | 1.08Å | 1.08Å | |
| C9 | H7 | sing | 1.09Å | 1.10Å | |
| C9 | H8 | sing | 1.09Å | 1.10Å | |
| C10 | H9 | sing | 1.09Å | 1.10Å | |
| C10 | H10 | sing | 1.09Å | 1.10Å | |
| C10 | H11 | sing | 1.09Å | 1.10Å | |
| C11 | H12 | sing | 1.09Å | 1.10Å | |
| C11 | H13 | sing | 1.09Å | 1.10Å | |
| C12 | H14 | sing | 1.08Å | 1.08Å | |
| C14 | H15 | sing | 1.09Å | 1.10Å | |
| C14 | H16 | sing | 1.09Å | 1.10Å | |
| C14 | H17 | sing | 1.09Å | 1.10Å | |
| C6 | H18 | sing | 1.09Å | 1.10Å | |
| C6 | H19 | sing | 1.09Å | 1.10Å | |
| O6 | H20 | sing | 0.97Å | 0.95Å | |
| O1 | H21 | sing | 0.97Å | 0.95Å | |
| C15 | H22 | sing | 1.09Å | 1.10Å | |
| C15 | H23 | sing | 1.09Å | 1.10Å | |
| C16 | H24 | sing | 1.09Å | 1.10Å | |
| C16 | H25 | sing | 1.09Å | 1.10Å | |
| C17 | H26 | sing | 1.08Å | 1.08Å | |
| C19 | H27 | sing | 1.09Å | 1.10Å | |
| C19 | H28 | sing | 1.09Å | 1.10Å | |
| C19 | H29 | sing | 1.09Å | 1.10Å | |
| C20 | H30 | sing | 1.09Å | 1.10Å | |
| C20 | H31 | sing | 1.09Å | 1.10Å | |
| C20 | H32 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C19 | C18 | C20 | 120.1° | 120.0° |
| C19 | C18 | C17 | 119.0° | 120.0° |
| C18 | C19 | H27 | 109.5° | 109.4° |
| C18 | C19 | H28 | 109.5° | 109.5° |
| C18 | C19 | H29 | 109.5° | 109.5° |
| C9 | C11 | C12 | 106.8° | 109.4° |
| C11 | C9 | C8 | 104.4° | 109.4° |
| C11 | C9 | H7 | 110.7° | 109.4° |
| C11 | C9 | H8 | 110.7° | 109.5° |
| C9 | C11 | H12 | 110.1° | 109.5° |
| C9 | C11 | H13 | 110.2° | 109.5° |
| C11 | C12 | C13 | 123.0° | 120.0° |
| C12 | C11 | H12 | 110.1° | 109.5° |
| C12 | C11 | H13 | 110.1° | 109.5° |
| C11 | C12 | H14 | 118.5° | 120.0° |
| C20 | C18 | C17 | 120.8° | 120.0° |
| C18 | C20 | H30 | 109.5° | 109.5° |
| C18 | C20 | H31 | 109.4° | 109.5° |
| C18 | C20 | H32 | 109.4° | 109.5° |
| C18 | C17 | C16 | 122.4° | 120.0° |
| C18 | C17 | H26 | 118.8° | 120.1° |
| C9 | C8 | C7 | 119.4° | 120.0° |
| C9 | C8 | C10 | 122.0° | 120.0° |
| C8 | C9 | H7 | 110.8° | 109.5° |
| C8 | C9 | H8 | 110.8° | 109.5° |
| C17 | C16 | C15 | 111.0° | 109.4° |
| C17 | C16 | H24 | 109.1° | 109.5° |
| C17 | C16 | H25 | 109.1° | 109.5° |
| C16 | C17 | H26 | 118.8° | 120.0° |
| C14 | C13 | C12 | 121.3° | 120.0° |
| C14 | C13 | C15 | 120.3° | 120.0° |
| C13 | C14 | H15 | 109.5° | 109.5° |
| C13 | C14 | H16 | 109.4° | 109.5° |
| C13 | C14 | H17 | 109.5° | 109.4° |
| C12 | C13 | C15 | 118.4° | 120.0° |
| C13 | C12 | H14 | 118.5° | 120.0° |
| C13 | C15 | C16 | 111.4° | 109.5° |
| C13 | C15 | H22 | 109.0° | 109.4° |
| C13 | C15 | H23 | 109.0° | 109.4° |
| C8 | C7 | C6 | 117.7° | 120.0° |
| C7 | C8 | C10 | 118.6° | 120.0° |
| C8 | C7 | H6 | 121.2° | 120.0° |
| C7 | C6 | O5 | 109.1° | 109.5° |
| C6 | C7 | H6 | 121.2° | 120.0° |
| C7 | C6 | H18 | 109.6° | 109.5° |
| C7 | C6 | H19 | 109.6° | 109.5° |
| C8 | C10 | H9 | 109.5° | 109.5° |
| C8 | C10 | H10 | 109.5° | 109.5° |
| C8 | C10 | H11 | 109.4° | 109.5° |
| C16 | C15 | H22 | 109.0° | 109.5° |
| C16 | C15 | H23 | 109.0° | 109.5° |
| C15 | C16 | H24 | 109.1° | 109.4° |
| C15 | C16 | H25 | 109.1° | 109.5° |
| O5 | C3 | C2 | 111.7° | 109.5° |
| C3 | O5 | C6 | 108.3° | 114.0° |
| O5 | C3 | H4 | 108.9° | 109.5° |
| O5 | C3 | H5 | 108.9° | 109.5° |
| C3 | C2 | O6 | 110.5° | 109.5° |
| C3 | C2 | C1 | 109.9° | 109.5° |
| C3 | C2 | H3 | 108.8° | 109.5° |
| C2 | C3 | H4 | 108.9° | 109.4° |
| C2 | C3 | H5 | 108.9° | 109.5° |
| O5 | C6 | H18 | 109.6° | 109.5° |
| O5 | C6 | H19 | 109.6° | 109.4° |
| O6 | C2 | C1 | 108.7° | 109.5° |
| O6 | C2 | H3 | 110.0° | 109.5° |
| C2 | O6 | H20 | 109.5° | 114.0° |
| C2 | C1 | O1 | 108.6° | 109.5° |
| C2 | C1 | H1 | 109.7° | 109.5° |
| C2 | C1 | H2 | 109.7° | 109.4° |
| C1 | C2 | H3 | 108.9° | 109.4° |
| O1 | C1 | H1 | 109.7° | 109.5° |
| O1 | C1 | H2 | 109.7° | 109.4° |
| C1 | O1 | H21 | 109.5° | 114.0° |
| H1 | C1 | H2 | 109.5° | 109.5° |
| H4 | C3 | H5 | 109.4° | 109.5° |
| H7 | C9 | H8 | 109.4° | 109.5° |
| H9 | C10 | H10 | 109.5° | 109.5° |
| H9 | C10 | H11 | 109.5° | 109.4° |
| H10 | C10 | H11 | 109.5° | 109.4° |
| H12 | C11 | H13 | 109.5° | 109.5° |
| H15 | C14 | H16 | 109.5° | 109.5° |
| H15 | C14 | H17 | 109.5° | 109.4° |
| H16 | C14 | H17 | 109.5° | 109.5° |
| H18 | C6 | H19 | 109.5° | 109.5° |
| H22 | C15 | H23 | 109.5° | 109.5° |
| H24 | C16 | H25 | 109.5° | 109.5° |
| H27 | C19 | H28 | 109.5° | 109.5° |
| H27 | C19 | H29 | 109.4° | 109.5° |
| H28 | C19 | H29 | 109.5° | 109.5° |
| H30 | C20 | H31 | 109.5° | 109.4° |
| H30 | C20 | H32 | 109.4° | 109.5° |
| H31 | C20 | H32 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C19 | C18 | C20 | C17 | 179.6° | 179.9° |
| C19 | C18 | C17 | C16 | 179.2° | 179.3° |
| C19 | C18 | C17 | H26 | 0.8° | 0.7° |
| C18 | C19 | H27 | H28 | 120.0° | 120.0° |
| C18 | C19 | H27 | H29 | 120.0° | 120.0° |
| C18 | C19 | H28 | H29 | 120.0° | 120.0° |
| C19 | C18 | C20 | H30 | 180.0° | 95.8° |
| C19 | C18 | C20 | H31 | 60.0° | 24.2° |
| C19 | C18 | C20 | H32 | 60.0° | 144.1° |
| C9 | C11 | C12 | H12 | 119.6° | 119.9° |
| C9 | C11 | C12 | H13 | 119.6° | 120.0° |
| C11 | C9 | C8 | H7 | 119.2° | 120.0° |
| C11 | C9 | C8 | H8 | 119.2° | 120.0° |
| C9 | C11 | C12 | C13 | 142.7° | 119.1° |
| C11 | C9 | C8 | C7 | 63.5° | 95.0° |
| C11 | C9 | C8 | C10 | 114.7° | 85.0° |
| C11 | C9 | H7 | H8 | 122.3° | 120.0° |
| C9 | C11 | H12 | H13 | 121.3° | 120.0° |
| C9 | C11 | C12 | H14 | 37.3° | 61.0° |
| C12 | C11 | C9 | C8 | 76.2° | 179.9° |
| C11 | C12 | C13 | C14 | 0.8° | 2.8° |
| C11 | C12 | C13 | H14 | 180.0° | 179.9° |
| C11 | C12 | C13 | C15 | 179.7° | 177.3° |
| C12 | C11 | C9 | H7 | 43.0° | 60.0° |
| C12 | C11 | C9 | H8 | 164.6° | 59.9° |
| C12 | C11 | H12 | H13 | 121.2° | 120.0° |
| C20 | C18 | C17 | C16 | 0.4° | 0.7° |
| C20 | C18 | C17 | H26 | 179.6° | 179.3° |
| C20 | C18 | C19 | H27 | 180.0° | 0.0° |
| C20 | C18 | C19 | H28 | 60.0° | 119.9° |
| C20 | C18 | C19 | H29 | 60.0° | 120.0° |
| C18 | C20 | H30 | H31 | 120.0° | 120.1° |
| C18 | C20 | H30 | H32 | 120.0° | 120.0° |
| C18 | C20 | H31 | H32 | 120.0° | 120.0° |
| C18 | C17 | C16 | H26 | 180.0° | 180.0° |
| C18 | C17 | C16 | C15 | 166.9° | 121.0° |
| C18 | C17 | C16 | H24 | 72.8° | 1.1° |
| C18 | C17 | C16 | H25 | 46.7° | 119.0° |
| C17 | C18 | C19 | H27 | 0.4° | 180.0° |
| C17 | C18 | C19 | H28 | 119.6° | 60.0° |
| C17 | C18 | C19 | H29 | 120.4° | 60.1° |
| C17 | C18 | C20 | H30 | 0.4° | 84.1° |
| C17 | C18 | C20 | H31 | 120.4° | 155.9° |
| C17 | C18 | C20 | H32 | 119.6° | 35.9° |
| C9 | C8 | C7 | C10 | 178.3° | 180.0° |
| C9 | C8 | C7 | C6 | 178.9° | 174.4° |
| C9 | C8 | C7 | H6 | 1.1° | 5.6° |
| C8 | C9 | H7 | H8 | 122.4° | 120.0° |
| C9 | C8 | C10 | H9 | 180.0° | 115.4° |
| C9 | C8 | C10 | H10 | 60.0° | 4.6° |
| C9 | C8 | C10 | H11 | 60.0° | 124.6° |
| C8 | C9 | C11 | H12 | 43.4° | 60.0° |
| C8 | C9 | C11 | H13 | 164.3° | 60.0° |
| C17 | C16 | C15 | C13 | 64.0° | 180.0° |
| C17 | C16 | C15 | H24 | 120.2° | 120.0° |
| C17 | C16 | C15 | H25 | 120.2° | 120.0° |
| C17 | C16 | C15 | H22 | 56.3° | 60.0° |
| C17 | C16 | C15 | H23 | 175.7° | 60.0° |
| C17 | C16 | H24 | H25 | 119.3° | 120.0° |
| C14 | C13 | C12 | C15 | 179.5° | 179.9° |
| C14 | C13 | C15 | C16 | 77.3° | 85.0° |
| C14 | C13 | C12 | H14 | 179.2° | 177.3° |
| C13 | C14 | H15 | H16 | 120.0° | 120.1° |
| C13 | C14 | H15 | H17 | 120.0° | 119.9° |
| C13 | C14 | H16 | H17 | 120.0° | 120.0° |
| C14 | C13 | C15 | H22 | 162.4° | 35.0° |
| C14 | C13 | C15 | H23 | 43.0° | 155.0° |
| C12 | C13 | C15 | C16 | 103.2° | 95.0° |
| C13 | C12 | C11 | H12 | 23.1° | 0.9° |
| C13 | C12 | C11 | H13 | 97.7° | 120.9° |
| C12 | C13 | C14 | H15 | 180.0° | 84.7° |
| C12 | C13 | C14 | H16 | 60.0° | 155.2° |
| C12 | C13 | C14 | H17 | 60.0° | 35.2° |
| C12 | C13 | C15 | H22 | 17.1° | 145.0° |
| C12 | C13 | C15 | H23 | 136.6° | 25.1° |
| C13 | C15 | C16 | H22 | 120.3° | 120.0° |
| C13 | C15 | C16 | H23 | 120.3° | 120.0° |
| C15 | C13 | C12 | H14 | 0.3° | 2.6° |
| C15 | C13 | C14 | H15 | 0.5° | 95.3° |
| C15 | C13 | C14 | H16 | 119.5° | 24.7° |
| C15 | C13 | C14 | H17 | 120.5° | 144.7° |
| C13 | C15 | H22 | H23 | 119.2° | 120.0° |
| C13 | C15 | C16 | H24 | 56.2° | 60.0° |
| C13 | C15 | C16 | H25 | 175.8° | 60.0° |
| C8 | C7 | C6 | H6 | 180.0° | 180.0° |
| C8 | C7 | C6 | O5 | 154.9° | 130.4° |
| C7 | C8 | C9 | H7 | 177.4° | 145.0° |
| C7 | C8 | C9 | H8 | 55.7° | 25.0° |
| C7 | C8 | C10 | H9 | 1.8° | 64.5° |
| C7 | C8 | C10 | H10 | 118.2° | 175.4° |
| C7 | C8 | C10 | H11 | 121.8° | 55.4° |
| C8 | C7 | C6 | H18 | 35.0° | 109.6° |
| C8 | C7 | C6 | H19 | 85.2° | 10.5° |
| C6 | C7 | C8 | C10 | 0.6° | 5.5° |
| C7 | C6 | O5 | C3 | 100.2° | 180.0° |
| C7 | C6 | O5 | H18 | 119.9° | 120.0° |
| C7 | C6 | O5 | H19 | 119.9° | 120.0° |
| C7 | C6 | H18 | H19 | 120.2° | 120.1° |
| C10 | C8 | C7 | H6 | 179.4° | 174.5° |
| C10 | C8 | C9 | H7 | 4.4° | 35.0° |
| C10 | C8 | C9 | H8 | 126.1° | 155.0° |
| C8 | C10 | H9 | H10 | 120.0° | 120.1° |
| C8 | C10 | H9 | H11 | 120.0° | 120.0° |
| C8 | C10 | H10 | H11 | 120.0° | 120.0° |
| C16 | C15 | H22 | H23 | 119.1° | 120.0° |
| C15 | C16 | H24 | H25 | 119.3° | 120.0° |
| C15 | C16 | C17 | H26 | 13.1° | 59.0° |
| O5 | C3 | C2 | H4 | 120.3° | 120.0° |
| O5 | C3 | C2 | H5 | 120.4° | 120.0° |
| O5 | C3 | C2 | O6 | 145.3° | 65.0° |
| O5 | C3 | C2 | C1 | 25.4° | 175.0° |
| O5 | C3 | C2 | H3 | 93.8° | 55.1° |
| O5 | C3 | H4 | H5 | 119.0° | 120.0° |
| C3 | O5 | C6 | H18 | 139.9° | 60.0° |
| C3 | O5 | C6 | H19 | 19.7° | 60.0° |
| C2 | C3 | O5 | C6 | 127.4° | 180.0° |
| C3 | C2 | O6 | C1 | 120.7° | 120.0° |
| C3 | C2 | O6 | H3 | 120.2° | 120.0° |
| C3 | C2 | C1 | H3 | 119.1° | 120.0° |
| C3 | C2 | C1 | O1 | 102.6° | 175.0° |
| C3 | C2 | C1 | H1 | 137.5° | 54.9° |
| C3 | C2 | C1 | H2 | 17.2° | 65.1° |
| C2 | C3 | H4 | H5 | 119.0° | 120.0° |
| C3 | C2 | O6 | H20 | 180.0° | 60.1° |
| C6 | O5 | C3 | H4 | 7.1° | 60.1° |
| C6 | O5 | C3 | H5 | 112.2° | 59.9° |
| O5 | C6 | C7 | H6 | 25.1° | 49.6° |
| O5 | C6 | H18 | H19 | 120.2° | 119.9° |
| O6 | C2 | C1 | H3 | 119.9° | 120.0° |
| O6 | C2 | C1 | O1 | 18.4° | 65.0° |
| O6 | C2 | C1 | H1 | 101.5° | 175.0° |
| O6 | C2 | C1 | H2 | 138.2° | 55.0° |
| O6 | C2 | C3 | H4 | 25.0° | 55.0° |
| O6 | C2 | C3 | H5 | 94.3° | 175.0° |
| C2 | C1 | O1 | H1 | 119.9° | 120.1° |
| C2 | C1 | O1 | H2 | 119.9° | 119.9° |
| C2 | C1 | H1 | H2 | 120.4° | 120.0° |
| C1 | C2 | C3 | H4 | 94.9° | 65.0° |
| C1 | C2 | C3 | H5 | 145.8° | 54.9° |
| C1 | C2 | O6 | H20 | 59.3° | 59.9° |
| C2 | C1 | O1 | H21 | 180.0° | 179.9° |
| O1 | C1 | H1 | H2 | 120.4° | 120.0° |
| O1 | C1 | C2 | H3 | 138.2° | 55.0° |
| H1 | C1 | C2 | H3 | 18.4° | 65.0° |
| H1 | C1 | O1 | H21 | 60.1° | 60.0° |
| H2 | C1 | C2 | H3 | 101.9° | 174.9° |
| H2 | C1 | O1 | H21 | 60.1° | 60.0° |
| H3 | C2 | C3 | H4 | 145.9° | 175.0° |
| H3 | C2 | C3 | H5 | 26.6° | 65.0° |
| H3 | C2 | O6 | H20 | 59.9° | 179.9° |
| H6 | C7 | C6 | H18 | 145.1° | 70.4° |
| H6 | C7 | C6 | H19 | 94.8° | 169.5° |
| H7 | C9 | C11 | H12 | 162.6° | 180.0° |
| H7 | C9 | C11 | H13 | 76.5° | 60.0° |
| H8 | C9 | C11 | H12 | 75.8° | 60.0° |
| H8 | C9 | C11 | H13 | 45.0° | 180.0° |
| H9 | C10 | H10 | H11 | 120.0° | 119.9° |
| H12 | C11 | C12 | H14 | 156.9° | 179.0° |
| H13 | C11 | C12 | H14 | 82.3° | 59.0° |
| H15 | C14 | H16 | H17 | 120.0° | 120.0° |
| H22 | C15 | C16 | H24 | 176.5° | 180.0° |
| H22 | C15 | C16 | H25 | 63.9° | 60.0° |
| H23 | C15 | C16 | H24 | 64.1° | 60.0° |
| H23 | C15 | C16 | H25 | 55.5° | 180.0° |
| H24 | C16 | C17 | H26 | 107.2° | 178.9° |
| H25 | C16 | C17 | H26 | 133.3° | 61.0° |
| H27 | C19 | H28 | H29 | 119.9° | 120.0° |
| H30 | C20 | H31 | H32 | 120.0° | 120.0° |
