FQ0
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C2 | C3 | sing | 1.53Å | 1.52Å | |
| C2 | O6 | sing | 1.43Å | 1.43Å | |
| C31 | C3 | sing | 1.53Å | 1.53Å | |
| C31 | O7 | sing | 1.43Å | 1.43Å | |
| C3 | O5 | sing | 1.43Å | 1.44Å | |
| O5 | C6 | sing | 1.43Å | 1.43Å | |
| C6 | C7 | sing | 1.51Å | 1.52Å | |
| C14 | C13 | sing | 1.51Å | 1.50Å | |
| C7 | C8 | doub | 1.31Å | 1.35Å | |
| C13 | C15 | sing | 1.51Å | 1.51Å | |
| C13 | C12 | doub | 1.31Å | 1.35Å | |
| C16 | C15 | sing | 1.53Å | 1.53Å | |
| C16 | C17 | sing | 1.51Å | 1.52Å | |
| C8 | C9 | sing | 1.51Å | 1.51Å | |
| C8 | C10 | sing | 1.51Å | 1.51Å | |
| C20 | C18 | sing | 1.51Å | 1.50Å | |
| C11 | C12 | sing | 1.51Å | 1.52Å | |
| C11 | C9 | sing | 1.53Å | 1.53Å | |
| C17 | C18 | doub | 1.31Å | 1.35Å | |
| C18 | C19 | sing | 1.51Å | 1.51Å | |
| C10 | H1 | sing | 1.09Å | 1.10Å | |
| C10 | H2 | sing | 1.09Å | 1.10Å | |
| C10 | H3 | sing | 1.09Å | 1.10Å | |
| C12 | H4 | sing | 1.08Å | 1.08Å | |
| C14 | H5 | sing | 1.09Å | 1.10Å | |
| C14 | H6 | sing | 1.09Å | 1.10Å | |
| C14 | H7 | sing | 1.09Å | 1.10Å | |
| C15 | H8 | sing | 1.09Å | 1.10Å | |
| C15 | H9 | sing | 1.09Å | 1.10Å | |
| C16 | H10 | sing | 1.09Å | 1.10Å | |
| C16 | H11 | sing | 1.09Å | 1.10Å | |
| C17 | H12 | sing | 1.08Å | 1.08Å | |
| C20 | H13 | sing | 1.09Å | 1.10Å | |
| C20 | H14 | sing | 1.09Å | 1.10Å | |
| C20 | H15 | sing | 1.09Å | 1.10Å | |
| C31 | H16 | sing | 1.09Å | 1.10Å | |
| C31 | H17 | sing | 1.09Å | 1.10Å | |
| O6 | H18 | sing | 0.97Å | 0.95Å | |
| C2 | H19 | sing | 1.09Å | 1.10Å | |
| C2 | H20 | sing | 1.09Å | 1.10Å | |
| C3 | H21 | sing | 1.09Å | 1.10Å | |
| O7 | H22 | sing | 0.97Å | 0.95Å | |
| C6 | H23 | sing | 1.09Å | 1.10Å | |
| C6 | H24 | sing | 1.09Å | 1.10Å | |
| C7 | H25 | sing | 1.08Å | 1.08Å | |
| C9 | H26 | sing | 1.09Å | 1.10Å | |
| C9 | H27 | sing | 1.09Å | 1.10Å | |
| C11 | H28 | sing | 1.09Å | 1.10Å | |
| C11 | H29 | sing | 1.09Å | 1.10Å | |
| C19 | H30 | sing | 1.09Å | 1.10Å | |
| C19 | H31 | sing | 1.09Å | 1.10Å | |
| C19 | H32 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C3 | C2 | O6 | 109.8° | 109.4° |
| C2 | C3 | C31 | 109.8° | 109.5° |
| C2 | C3 | O5 | 109.6° | 109.5° |
| C3 | C2 | H19 | 109.4° | 109.5° |
| C3 | C2 | H20 | 109.4° | 109.5° |
| C2 | C3 | H21 | 107.8° | 109.4° |
| C2 | O6 | H18 | 109.5° | 114.0° |
| O6 | C2 | H19 | 109.4° | 109.5° |
| O6 | C2 | H20 | 109.4° | 109.5° |
| C3 | C31 | O7 | 111.0° | 109.5° |
| C31 | C3 | O5 | 112.8° | 109.5° |
| C3 | C31 | H16 | 109.1° | 109.5° |
| C3 | C31 | H17 | 109.1° | 109.4° |
| C31 | C3 | H21 | 107.7° | 109.5° |
| O7 | C31 | H16 | 109.1° | 109.4° |
| O7 | C31 | H17 | 109.1° | 109.4° |
| C31 | O7 | H22 | 109.5° | 114.0° |
| C3 | O5 | C6 | 111.2° | 114.0° |
| O5 | C3 | H21 | 109.0° | 109.5° |
| O5 | C6 | C7 | 111.6° | 109.5° |
| O5 | C6 | H23 | 108.9° | 109.5° |
| O5 | C6 | H24 | 108.9° | 109.5° |
| C6 | C7 | C8 | 124.0° | 120.0° |
| C7 | C6 | H23 | 108.9° | 109.5° |
| C7 | C6 | H24 | 108.9° | 109.4° |
| C6 | C7 | H25 | 118.0° | 120.0° |
| C14 | C13 | C15 | 117.5° | 120.0° |
| C14 | C13 | C12 | 123.3° | 120.0° |
| C13 | C14 | H5 | 109.5° | 109.5° |
| C13 | C14 | H6 | 109.5° | 109.4° |
| C13 | C14 | H7 | 109.5° | 109.5° |
| C7 | C8 | C9 | 118.2° | 120.0° |
| C7 | C8 | C10 | 124.8° | 120.0° |
| C8 | C7 | H25 | 118.0° | 120.0° |
| C15 | C13 | C12 | 119.2° | 120.0° |
| C13 | C15 | C16 | 111.8° | 109.5° |
| C13 | C15 | H8 | 108.9° | 109.5° |
| C13 | C15 | H9 | 108.9° | 109.5° |
| C13 | C12 | C11 | 124.0° | 120.0° |
| C13 | C12 | H4 | 118.0° | 120.0° |
| C15 | C16 | C17 | 110.2° | 109.5° |
| C16 | C15 | H8 | 108.9° | 109.4° |
| C16 | C15 | H9 | 108.9° | 109.5° |
| C15 | C16 | H10 | 109.3° | 109.4° |
| C15 | C16 | H11 | 109.3° | 109.5° |
| C16 | C17 | C18 | 123.0° | 120.0° |
| C17 | C16 | H10 | 109.3° | 109.5° |
| C17 | C16 | H11 | 109.3° | 109.5° |
| C16 | C17 | H12 | 118.5° | 120.0° |
| C9 | C8 | C10 | 117.0° | 120.0° |
| C8 | C9 | C11 | 114.5° | 109.4° |
| C8 | C9 | H26 | 108.2° | 109.5° |
| C8 | C9 | H27 | 108.2° | 109.5° |
| C8 | C10 | H1 | 109.5° | 109.5° |
| C8 | C10 | H2 | 109.5° | 109.5° |
| C8 | C10 | H3 | 109.5° | 109.4° |
| C20 | C18 | C17 | 122.4° | 120.0° |
| C20 | C18 | C19 | 118.3° | 120.0° |
| C18 | C20 | H13 | 109.5° | 109.5° |
| C18 | C20 | H14 | 109.5° | 109.4° |
| C18 | C20 | H15 | 109.5° | 109.5° |
| C12 | C11 | C9 | 114.1° | 109.4° |
| C11 | C12 | H4 | 118.0° | 120.0° |
| C12 | C11 | H28 | 108.3° | 109.5° |
| C12 | C11 | H29 | 108.3° | 109.5° |
| C11 | C9 | H26 | 108.2° | 109.5° |
| C11 | C9 | H27 | 108.2° | 109.5° |
| C9 | C11 | H28 | 108.3° | 109.5° |
| C9 | C11 | H29 | 108.3° | 109.5° |
| C17 | C18 | C19 | 119.3° | 120.0° |
| C18 | C17 | H12 | 118.5° | 120.0° |
| C18 | C19 | H30 | 109.5° | 109.5° |
| C18 | C19 | H31 | 109.5° | 109.4° |
| C18 | C19 | H32 | 109.4° | 109.4° |
| H1 | C10 | H2 | 109.4° | 109.5° |
| H1 | C10 | H3 | 109.5° | 109.5° |
| H2 | C10 | H3 | 109.5° | 109.5° |
| H5 | C14 | H6 | 109.5° | 109.4° |
| H5 | C14 | H7 | 109.4° | 109.5° |
| H6 | C14 | H7 | 109.5° | 109.4° |
| H8 | C15 | H9 | 109.5° | 109.5° |
| H10 | C16 | H11 | 109.5° | 109.5° |
| H13 | C20 | H14 | 109.4° | 109.4° |
| H13 | C20 | H15 | 109.5° | 109.5° |
| H14 | C20 | H15 | 109.4° | 109.5° |
| H16 | C31 | H17 | 109.5° | 109.5° |
| H19 | C2 | H20 | 109.5° | 109.5° |
| H23 | C6 | H24 | 109.5° | 109.5° |
| H26 | C9 | H27 | 109.5° | 109.5° |
| H28 | C11 | H29 | 109.5° | 109.5° |
| H30 | C19 | H31 | 109.5° | 109.5° |
| H30 | C19 | H32 | 109.5° | 109.5° |
| H31 | C19 | H32 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C3 | C2 | O6 | H19 | 120.0° | 120.0° |
| C3 | C2 | O6 | H20 | 120.0° | 120.0° |
| C2 | C3 | C31 | O5 | 122.6° | 120.0° |
| C2 | C3 | C31 | H21 | 117.2° | 120.0° |
| C2 | C3 | C31 | O7 | 46.2° | 55.0° |
| C2 | C3 | O5 | H21 | 117.8° | 120.0° |
| C2 | C3 | O5 | C6 | 165.0° | 90.0° |
| C2 | C3 | C31 | H16 | 74.0° | 65.0° |
| C2 | C3 | C31 | H17 | 166.4° | 175.0° |
| C3 | C2 | O6 | H18 | 180.0° | 180.0° |
| C3 | C2 | H19 | H20 | 119.9° | 120.0° |
| O6 | C2 | C3 | C31 | 75.2° | 55.0° |
| O6 | C2 | C3 | O5 | 49.2° | 65.0° |
| O6 | C2 | H19 | H20 | 119.9° | 120.0° |
| O6 | C2 | C3 | H21 | 167.7° | 175.0° |
| C3 | C31 | O7 | H16 | 120.2° | 120.0° |
| C3 | C31 | O7 | H17 | 120.2° | 120.0° |
| C31 | C3 | O5 | H21 | 119.5° | 120.0° |
| C31 | C3 | O5 | C6 | 72.3° | 150.0° |
| C3 | C31 | H16 | H17 | 119.3° | 120.0° |
| C31 | C3 | C2 | H19 | 164.7° | 64.9° |
| C31 | C3 | C2 | H20 | 44.8° | 175.0° |
| C3 | C31 | O7 | H22 | 180.0° | 179.9° |
| O7 | C31 | C3 | O5 | 76.4° | 65.0° |
| O7 | C31 | H16 | H17 | 119.3° | 120.0° |
| O7 | C31 | C3 | H21 | 163.4° | 175.0° |
| C3 | O5 | C6 | C7 | 144.5° | 180.0° |
| O5 | C3 | C31 | H16 | 163.4° | 175.0° |
| O5 | C3 | C31 | H17 | 43.9° | 55.0° |
| O5 | C3 | C2 | H19 | 70.8° | 175.0° |
| O5 | C3 | C2 | H20 | 169.2° | 55.0° |
| C3 | O5 | C6 | H23 | 95.2° | 60.0° |
| C3 | O5 | C6 | H24 | 24.1° | 60.0° |
| O5 | C6 | C7 | H23 | 120.3° | 120.0° |
| O5 | C6 | C7 | H24 | 120.3° | 120.0° |
| O5 | C6 | C7 | C8 | 115.9° | 133.0° |
| C6 | O5 | C3 | H21 | 47.3° | 30.0° |
| O5 | C6 | H23 | H24 | 119.0° | 120.0° |
| O5 | C6 | C7 | H25 | 64.1° | 46.9° |
| C6 | C7 | C8 | H25 | 180.0° | 179.9° |
| C6 | C7 | C8 | C9 | 179.8° | 174.5° |
| C6 | C7 | C8 | C10 | 0.9° | 5.6° |
| C7 | C6 | H23 | H24 | 119.0° | 120.0° |
| C14 | C13 | C15 | C12 | 179.2° | 179.9° |
| C14 | C13 | C15 | C16 | 65.8° | 85.0° |
| C14 | C13 | C12 | C11 | 1.2° | 5.5° |
| C14 | C13 | C12 | H4 | 178.7° | 174.5° |
| C13 | C14 | H5 | H6 | 120.0° | 120.0° |
| C13 | C14 | H5 | H7 | 120.0° | 120.1° |
| C13 | C14 | H6 | H7 | 120.0° | 120.0° |
| C14 | C13 | C15 | H8 | 173.9° | 34.9° |
| C14 | C13 | C15 | H9 | 54.6° | 154.9° |
| C7 | C8 | C9 | C10 | 179.0° | 179.9° |
| C7 | C8 | C9 | C11 | 89.7° | 95.0° |
| C7 | C8 | C10 | H1 | 180.0° | 54.8° |
| C7 | C8 | C10 | H2 | 60.0° | 174.9° |
| C7 | C8 | C10 | H3 | 60.0° | 65.1° |
| C8 | C7 | C6 | H23 | 4.5° | 13.0° |
| C8 | C7 | C6 | H24 | 123.8° | 107.0° |
| C7 | C8 | C9 | H26 | 31.0° | 145.0° |
| C7 | C8 | C9 | H27 | 149.5° | 24.9° |
| C13 | C15 | C16 | H8 | 120.3° | 120.0° |
| C13 | C15 | C16 | H9 | 120.3° | 120.0° |
| C13 | C15 | C16 | C17 | 70.8° | 180.0° |
| C15 | C13 | C12 | C11 | 179.6° | 174.6° |
| C15 | C13 | C12 | H4 | 0.5° | 5.4° |
| C15 | C13 | C14 | H5 | 180.0° | 5.0° |
| C15 | C13 | C14 | H6 | 60.0° | 115.0° |
| C15 | C13 | C14 | H7 | 60.0° | 125.0° |
| C13 | C15 | H8 | H9 | 118.9° | 120.0° |
| C13 | C15 | C16 | H10 | 169.1° | 60.1° |
| C13 | C15 | C16 | H11 | 49.4° | 59.9° |
| C12 | C13 | C15 | C16 | 115.0° | 95.1° |
| C13 | C12 | C11 | H4 | 180.0° | 180.0° |
| C13 | C12 | C11 | C9 | 114.7° | 124.5° |
| C12 | C13 | C14 | H5 | 0.8° | 174.9° |
| C12 | C13 | C14 | H6 | 120.8° | 65.1° |
| C12 | C13 | C14 | H7 | 119.2° | 54.9° |
| C12 | C13 | C15 | H8 | 5.4° | 145.0° |
| C12 | C13 | C15 | H9 | 124.7° | 25.0° |
| C13 | C12 | C11 | H28 | 124.6° | 115.6° |
| C13 | C12 | C11 | H29 | 5.9° | 4.5° |
| C15 | C16 | C17 | H10 | 120.1° | 119.9° |
| C15 | C16 | C17 | H11 | 120.1° | 120.0° |
| C15 | C16 | C17 | C18 | 170.5° | 125.0° |
| C16 | C15 | H8 | H9 | 119.0° | 120.1° |
| C15 | C16 | H10 | H11 | 119.7° | 120.0° |
| C15 | C16 | C17 | H12 | 9.5° | 55.0° |
| C16 | C17 | C18 | C20 | 0.5° | 0.0° |
| C16 | C17 | C18 | H12 | 180.0° | 180.0° |
| C16 | C17 | C18 | C19 | 178.8° | 180.0° |
| C17 | C16 | C15 | H8 | 49.6° | 60.0° |
| C17 | C16 | C15 | H9 | 168.9° | 60.0° |
| C17 | C16 | H10 | H11 | 119.7° | 120.1° |
| C8 | C9 | C11 | C12 | 43.7° | 180.0° |
| C8 | C9 | C11 | H26 | 120.7° | 120.0° |
| C8 | C9 | C11 | H27 | 120.7° | 120.0° |
| C9 | C8 | C10 | H1 | 1.1° | 125.1° |
| C9 | C8 | C10 | H2 | 118.9° | 5.0° |
| C9 | C8 | C10 | H3 | 121.1° | 114.9° |
| C9 | C8 | C7 | H25 | 0.2° | 5.4° |
| C8 | C9 | H26 | H27 | 117.7° | 120.0° |
| C8 | C9 | C11 | H28 | 164.4° | 60.0° |
| C8 | C9 | C11 | H29 | 76.9° | 60.0° |
| C10 | C8 | C9 | C11 | 91.3° | 85.0° |
| C8 | C10 | H1 | H2 | 120.0° | 120.0° |
| C8 | C10 | H1 | H3 | 120.0° | 119.9° |
| C8 | C10 | H2 | H3 | 120.0° | 119.9° |
| C10 | C8 | C7 | H25 | 179.1° | 174.5° |
| C10 | C8 | C9 | H26 | 148.0° | 35.0° |
| C10 | C8 | C9 | H27 | 29.5° | 155.0° |
| C20 | C18 | C17 | C19 | 178.3° | 179.9° |
| C20 | C18 | C17 | H12 | 179.5° | 180.0° |
| C18 | C20 | H13 | H14 | 120.0° | 119.9° |
| C18 | C20 | H13 | H15 | 120.0° | 120.1° |
| C18 | C20 | H14 | H15 | 120.0° | 120.0° |
| C20 | C18 | C19 | H30 | 180.0° | 90.0° |
| C20 | C18 | C19 | H31 | 60.0° | 30.0° |
| C20 | C18 | C19 | H32 | 60.0° | 150.0° |
| C12 | C11 | C9 | H28 | 120.7° | 120.0° |
| C12 | C11 | C9 | H29 | 120.7° | 120.0° |
| C12 | C11 | C9 | H26 | 164.4° | 60.0° |
| C12 | C11 | C9 | H27 | 77.0° | 60.0° |
| C12 | C11 | H28 | H29 | 117.9° | 120.1° |
| C9 | C11 | C12 | H4 | 65.2° | 55.5° |
| C11 | C9 | H26 | H27 | 117.7° | 120.0° |
| C9 | C11 | H28 | H29 | 117.9° | 120.0° |
| C18 | C17 | C16 | H10 | 50.4° | 5.1° |
| C18 | C17 | C16 | H11 | 69.3° | 115.0° |
| C17 | C18 | C20 | H13 | 180.0° | 60.1° |
| C17 | C18 | C20 | H14 | 60.0° | 180.0° |
| C17 | C18 | C20 | H15 | 60.0° | 60.0° |
| C17 | C18 | C19 | H30 | 1.6° | 90.0° |
| C17 | C18 | C19 | H31 | 118.4° | 150.0° |
| C17 | C18 | C19 | H32 | 121.6° | 30.0° |
| C19 | C18 | C17 | H12 | 1.2° | 0.0° |
| C19 | C18 | C20 | H13 | 1.6° | 120.0° |
| C19 | C18 | C20 | H14 | 118.4° | 0.1° |
| C19 | C18 | C20 | H15 | 121.7° | 120.0° |
| C18 | C19 | H30 | H31 | 120.0° | 120.0° |
| C18 | C19 | H30 | H32 | 120.0° | 120.0° |
| C18 | C19 | H31 | H32 | 120.0° | 119.9° |
| H1 | C10 | H2 | H3 | 120.0° | 120.0° |
| H4 | C12 | C11 | H28 | 55.5° | 64.5° |
| H4 | C12 | C11 | H29 | 174.1° | 175.5° |
| H5 | C14 | H6 | H7 | 120.0° | 120.0° |
| H8 | C15 | C16 | H10 | 70.5° | 180.0° |
| H8 | C15 | C16 | H11 | 169.7° | 60.0° |
| H9 | C15 | C16 | H10 | 48.8° | 60.0° |
| H9 | C15 | C16 | H11 | 71.0° | 180.0° |
| H10 | C16 | C17 | H12 | 129.6° | 174.9° |
| H11 | C16 | C17 | H12 | 110.7° | 65.0° |
| H13 | C20 | H14 | H15 | 119.9° | 120.0° |
| H16 | C31 | C3 | H21 | 43.1° | 55.0° |
| H16 | C31 | O7 | H22 | 59.7° | 60.1° |
| H17 | C31 | C3 | H21 | 76.4° | 65.1° |
| H17 | C31 | O7 | H22 | 59.8° | 59.9° |
| H18 | O6 | C2 | H19 | 60.0° | 60.0° |
| H18 | O6 | C2 | H20 | 60.0° | 60.0° |
| H19 | C2 | C3 | H21 | 47.7° | 55.0° |
| H20 | C2 | C3 | H21 | 72.3° | 65.0° |
| H23 | C6 | C7 | H25 | 175.6° | 166.9° |
| H24 | C6 | C7 | H25 | 56.2° | 73.1° |
| H26 | C9 | C11 | H28 | 74.9° | 60.0° |
| H26 | C9 | C11 | H29 | 43.8° | 180.0° |
| H27 | C9 | C11 | H28 | 43.7° | 180.0° |
| H27 | C9 | C11 | H29 | 162.3° | 60.0° |
| H30 | C19 | H31 | H32 | 120.0° | 120.1° |
