QF2
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C24 | C22 | sing | 1.53Å | 1.52Å | |
| C24 | C23 | sing | 1.53Å | 1.54Å | |
| O07 | C08 | sing | 1.37Å | 1.41Å | |
| O07 | C06 | sing | 1.44Å | 1.41Å | |
| C09 | C08 | doub | 1.39Å | 1.40Å | Aromatic |
| C09 | C10 | sing | 1.38Å | 1.39Å | Aromatic |
| C08 | C04 | sing | 1.39Å | 1.38Å | Aromatic |
| C11 | C10 | sing | 1.51Å | 1.54Å | |
| C11 | N12 | sing | 1.47Å | 1.48Å | |
| C10 | C25 | doub | 1.38Å | 1.39Å | Aromatic |
| C06 | O05 | sing | 1.44Å | 1.41Å | |
| C22 | C23 | sing | 1.53Å | 1.53Å | |
| C22 | N12 | sing | 1.47Å | 1.45Å | |
| C04 | O05 | sing | 1.37Å | 1.42Å | |
| C04 | C03 | doub | 1.39Å | 1.41Å | Aromatic |
| N12 | C13 | sing | 1.47Å | 1.49Å | |
| C25 | C03 | sing | 1.39Å | 1.39Å | Aromatic |
| C03 | O02 | sing | 1.36Å | 1.41Å | |
| O18 | C16 | doub | 1.22Å | 1.18Å | |
| N15 | C16 | sing | 1.35Å | 1.32Å | |
| N15 | C14 | sing | 1.37Å | 1.32Å | |
| C16 | N17 | sing | 1.35Å | 1.32Å | |
| O02 | C01 | sing | 1.43Å | 1.41Å | |
| C13 | C14 | sing | 1.51Å | 1.55Å | |
| C14 | C19 | doub | 1.35Å | 1.39Å | |
| N17 | C20 | sing | 1.35Å | 1.32Å | |
| C19 | C20 | sing | 1.42Å | 1.39Å | |
| C20 | O21 | doub | 1.22Å | 1.19Å | |
| C13 | H2 | sing | 1.09Å | 1.10Å | |
| C13 | H3 | sing | 1.09Å | 1.10Å | |
| C22 | H4 | sing | 1.09Å | 1.10Å | |
| C24 | H5 | sing | 1.09Å | 1.10Å | |
| C24 | H6 | sing | 1.09Å | 1.10Å | |
| C01 | H7 | sing | 1.09Å | 1.10Å | |
| C01 | H8 | sing | 1.09Å | 1.10Å | |
| C01 | H9 | sing | 1.09Å | 1.10Å | |
| C06 | H10 | sing | 1.09Å | 1.10Å | |
| C06 | H11 | sing | 1.09Å | 1.10Å | |
| C09 | H12 | sing | 1.08Å | 1.08Å | |
| C11 | H13 | sing | 1.09Å | 1.10Å | |
| C11 | H14 | sing | 1.09Å | 1.10Å | |
| C19 | H15 | sing | 1.08Å | 1.08Å | |
| C23 | H17 | sing | 1.09Å | 1.10Å | |
| C23 | H18 | sing | 1.09Å | 1.10Å | |
| C25 | H19 | sing | 1.08Å | 1.08Å | |
| N17 | H20 | sing | 0.97Å | 1.00Å | |
| N15 | H1 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C22 | C24 | C23 | 59.9° | 60.0° |
| C24 | C22 | C23 | 60.5° | 60.0° |
| C24 | C22 | N12 | 110.4° | 117.5° |
| C24 | C22 | H4 | 117.8° | 117.5° |
| C22 | C24 | H5 | 120.0° | 117.5° |
| C22 | C24 | H6 | 120.0° | 117.5° |
| C24 | C23 | C22 | 59.6° | 60.0° |
| C23 | C24 | H5 | 120.0° | 117.5° |
| C23 | C24 | H6 | 120.0° | 117.5° |
| C24 | C23 | H17 | 120.1° | 117.5° |
| C24 | C23 | H18 | 120.1° | 117.5° |
| C08 | O07 | C06 | 104.1° | 105.5° |
| O07 | C08 | C09 | 132.5° | 131.5° |
| O07 | C08 | C04 | 107.6° | 108.7° |
| O07 | C06 | O05 | 104.2° | 103.7° |
| O07 | C06 | H10 | 110.8° | 110.6° |
| O07 | C06 | H11 | 110.8° | 110.7° |
| C08 | C09 | C10 | 119.4° | 120.1° |
| C09 | C08 | C04 | 119.9° | 119.9° |
| C08 | C09 | H12 | 120.3° | 119.9° |
| C09 | C10 | C11 | 119.4° | 119.9° |
| C09 | C10 | C25 | 121.3° | 120.2° |
| C10 | C09 | H12 | 120.3° | 120.0° |
| C08 | C04 | O05 | 107.1° | 108.7° |
| C08 | C04 | C03 | 120.2° | 119.8° |
| C10 | C11 | N12 | 103.8° | 109.4° |
| C11 | C10 | C25 | 119.3° | 119.9° |
| C10 | C11 | H13 | 110.9° | 109.4° |
| C10 | C11 | H14 | 110.9° | 109.5° |
| C11 | N12 | C22 | 109.6° | 111.0° |
| C11 | N12 | C13 | 116.0° | 111.0° |
| N12 | C11 | H13 | 110.9° | 109.5° |
| N12 | C11 | H14 | 110.9° | 109.5° |
| C10 | C25 | C03 | 119.0° | 120.1° |
| C10 | C25 | H19 | 120.5° | 120.0° |
| C06 | O05 | C04 | 104.3° | 105.4° |
| O05 | C06 | H10 | 110.8° | 110.6° |
| O05 | C06 | H11 | 110.8° | 110.5° |
| C23 | C22 | N12 | 117.0° | 117.5° |
| C23 | C22 | H4 | 117.7° | 117.5° |
| C22 | C23 | H17 | 120.1° | 117.5° |
| C22 | C23 | H18 | 120.1° | 117.5° |
| C22 | N12 | C13 | 111.0° | 111.0° |
| N12 | C22 | H4 | 119.3° | 115.6° |
| O05 | C04 | C03 | 132.7° | 131.5° |
| C04 | C03 | C25 | 120.4° | 119.9° |
| C04 | C03 | O02 | 120.5° | 120.1° |
| N12 | C13 | C14 | 106.4° | 109.5° |
| N12 | C13 | H2 | 110.3° | 109.5° |
| N12 | C13 | H3 | 110.2° | 109.4° |
| C25 | C03 | O02 | 119.1° | 120.0° |
| C03 | C25 | H19 | 120.5° | 119.9° |
| C03 | O02 | C01 | 114.4° | 117.0° |
| O18 | C16 | N15 | 119.2° | 119.5° |
| O18 | C16 | N17 | 118.4° | 119.5° |
| C16 | N15 | C14 | 119.5° | 120.6° |
| N15 | C16 | N17 | 122.4° | 120.9° |
| C16 | N15 | H1 | 120.2° | 119.7° |
| N15 | C14 | C13 | 119.2° | 120.2° |
| N15 | C14 | C19 | 120.1° | 119.7° |
| C14 | N15 | H1 | 120.2° | 119.7° |
| C16 | N17 | C20 | 121.6° | 120.3° |
| C16 | N17 | H20 | 119.2° | 119.9° |
| O02 | C01 | H7 | 109.5° | 109.4° |
| O02 | C01 | H8 | 109.5° | 109.5° |
| O02 | C01 | H9 | 109.5° | 109.5° |
| C13 | C14 | C19 | 120.7° | 120.1° |
| C14 | C13 | H2 | 110.3° | 109.5° |
| C14 | C13 | H3 | 110.3° | 109.5° |
| C14 | C19 | C20 | 118.3° | 119.1° |
| C14 | C19 | H15 | 120.9° | 120.5° |
| N17 | C20 | C19 | 118.1° | 119.4° |
| N17 | C20 | O21 | 120.9° | 120.3° |
| C20 | N17 | H20 | 119.2° | 119.8° |
| C19 | C20 | O21 | 121.0° | 120.3° |
| C20 | C19 | H15 | 120.9° | 120.4° |
| H2 | C13 | H3 | 109.4° | 109.4° |
| H5 | C24 | H6 | 109.5° | 115.6° |
| H7 | C01 | H8 | 109.5° | 109.4° |
| H7 | C01 | H9 | 109.5° | 109.4° |
| H8 | C01 | H9 | 109.5° | 109.5° |
| H10 | C06 | H11 | 109.5° | 110.5° |
| H13 | C11 | H14 | 109.5° | 109.5° |
| H17 | C23 | H18 | 109.5° | 115.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C22 | C24 | C23 | H5 | 109.5° | 107.5° |
| C22 | C24 | C23 | H6 | 109.4° | 107.5° |
| C24 | C22 | N12 | C11 | 90.2° | 102.6° |
| C24 | C22 | C23 | N12 | 99.2° | 107.5° |
| C24 | C22 | C23 | H4 | 108.0° | 107.5° |
| C24 | C22 | N12 | H4 | 141.2° | 145.7° |
| C24 | C22 | N12 | C13 | 140.4° | 133.5° |
| C22 | C24 | H5 | H6 | 144.8° | 145.7° |
| C22 | C24 | C23 | H17 | 109.4° | 107.5° |
| C22 | C24 | C23 | H18 | 109.3° | 107.5° |
| C23 | C24 | H5 | H6 | 144.8° | 145.6° |
| C24 | C23 | H17 | H18 | 145.0° | 145.7° |
| O07 | C08 | C09 | C04 | 178.7° | 179.9° |
| O07 | C08 | C09 | C10 | 179.3° | 180.0° |
| C08 | O07 | C06 | O05 | 34.4° | 27.2° |
| O07 | C08 | C04 | O05 | 0.4° | 0.0° |
| O07 | C08 | C04 | C03 | 179.8° | 180.0° |
| C08 | O07 | C06 | H10 | 84.8° | 91.4° |
| C08 | O07 | C06 | H11 | 153.6° | 145.7° |
| O07 | C08 | C09 | H12 | 0.7° | 0.0° |
| C06 | O07 | C08 | C09 | 159.6° | 162.7° |
| C06 | O07 | C08 | C04 | 21.6° | 17.3° |
| O07 | C06 | O05 | H10 | 119.1° | 118.6° |
| O07 | C06 | O05 | H11 | 119.2° | 118.7° |
| O07 | C06 | O05 | C04 | 34.2° | 27.1° |
| O07 | C06 | H10 | H11 | 122.5° | 123.0° |
| C08 | C09 | C10 | H12 | 180.0° | 180.0° |
| C08 | C09 | C10 | C11 | 177.8° | 179.7° |
| C08 | C09 | C10 | C25 | 0.6° | 0.0° |
| C09 | C08 | C04 | O05 | 179.4° | 180.0° |
| C09 | C08 | C04 | C03 | 1.2° | 0.0° |
| C10 | C09 | C08 | C04 | 0.6° | 0.1° |
| C09 | C10 | C11 | C25 | 177.2° | 179.7° |
| C09 | C10 | C11 | N12 | 60.5° | 90.3° |
| C09 | C10 | C25 | C03 | 1.3° | 0.0° |
| C09 | C10 | C11 | H13 | 179.6° | 29.7° |
| C09 | C10 | C11 | H14 | 58.6° | 149.7° |
| C09 | C10 | C25 | H19 | 178.7° | 179.9° |
| C08 | C04 | O05 | C06 | 21.0° | 17.3° |
| C08 | C04 | O05 | C03 | 179.3° | 180.0° |
| C08 | C04 | C03 | C25 | 0.4° | 0.0° |
| C08 | C04 | C03 | O02 | 179.5° | 180.0° |
| C04 | C08 | C09 | H12 | 179.4° | 180.0° |
| C10 | C11 | N12 | H13 | 119.1° | 119.9° |
| C10 | C11 | N12 | H14 | 119.1° | 120.0° |
| C10 | C11 | N12 | C22 | 169.6° | 66.1° |
| C10 | C11 | N12 | C13 | 63.8° | 170.0° |
| C11 | C10 | C25 | C03 | 178.5° | 179.7° |
| C11 | C10 | C09 | H12 | 2.2° | 0.3° |
| C10 | C11 | H13 | H14 | 122.6° | 120.0° |
| C11 | C10 | C25 | H19 | 1.5° | 0.3° |
| N12 | C11 | C10 | C25 | 116.7° | 90.0° |
| C11 | N12 | C22 | C23 | 156.6° | 171.2° |
| C11 | N12 | C22 | C13 | 129.4° | 123.9° |
| C11 | N12 | C13 | C14 | 98.2° | 71.7° |
| C11 | N12 | C13 | H2 | 21.4° | 48.4° |
| C11 | N12 | C13 | H3 | 142.3° | 168.3° |
| C11 | N12 | C22 | H4 | 51.0° | 43.1° |
| N12 | C11 | H13 | H14 | 122.6° | 120.1° |
| C10 | C25 | C03 | C04 | 0.8° | 0.0° |
| C10 | C25 | C03 | H19 | 180.0° | 179.9° |
| C10 | C25 | C03 | O02 | 179.3° | 180.0° |
| C25 | C10 | C09 | H12 | 179.4° | 180.0° |
| C25 | C10 | C11 | H13 | 2.4° | 150.0° |
| C25 | C10 | C11 | H14 | 124.2° | 30.0° |
| C06 | O05 | C04 | C03 | 158.4° | 162.7° |
| O05 | C06 | H10 | H11 | 122.5° | 122.7° |
| C23 | C22 | N12 | H4 | 152.4° | 145.7° |
| C23 | C22 | N12 | C13 | 74.0° | 64.8° |
| C22 | C23 | H17 | H18 | 145.0° | 145.6° |
| C22 | N12 | C13 | C14 | 135.9° | 164.4° |
| C22 | N12 | C13 | H2 | 104.5° | 75.6° |
| C22 | N12 | C13 | H3 | 16.4° | 44.4° |
| N12 | C22 | C24 | H5 | 140.2° | 145.1° |
| N12 | C22 | C24 | H6 | 0.8° | 0.0° |
| C22 | N12 | C11 | H13 | 71.3° | 174.0° |
| C22 | N12 | C11 | H14 | 50.5° | 53.9° |
| N12 | C22 | C23 | H17 | 151.4° | 0.0° |
| N12 | C22 | C23 | H18 | 10.1° | 145.0° |
| O05 | C04 | C03 | C25 | 179.7° | 180.0° |
| O05 | C04 | C03 | O02 | 0.2° | 0.0° |
| C04 | O05 | C06 | H10 | 85.0° | 91.4° |
| C04 | O05 | C06 | H11 | 153.4° | 145.8° |
| C04 | C03 | C25 | O02 | 179.9° | 180.0° |
| C04 | C03 | O02 | C01 | 51.1° | 180.0° |
| C04 | C03 | C25 | H19 | 179.2° | 180.0° |
| N12 | C13 | C14 | N15 | 49.9° | 64.9° |
| N12 | C13 | C14 | H2 | 119.5° | 120.1° |
| N12 | C13 | C14 | H3 | 119.5° | 120.0° |
| N12 | C13 | C14 | C19 | 126.7° | 115.2° |
| N12 | C13 | H2 | H3 | 121.4° | 119.9° |
| C13 | N12 | C22 | H4 | 78.4° | 80.9° |
| C13 | N12 | C11 | H13 | 55.3° | 50.0° |
| C13 | N12 | C11 | H14 | 177.2° | 70.0° |
| C25 | C03 | O02 | C01 | 128.8° | 0.0° |
| C03 | O02 | C01 | H7 | 180.0° | 180.0° |
| C03 | O02 | C01 | H8 | 60.0° | 60.0° |
| C03 | O02 | C01 | H9 | 60.0° | 60.1° |
| O02 | C03 | C25 | H19 | 0.7° | 0.0° |
| O18 | C16 | N15 | N17 | 179.0° | 179.9° |
| O18 | C16 | N15 | C14 | 178.1° | 179.7° |
| O18 | C16 | N17 | C20 | 179.5° | 180.0° |
| O18 | C16 | N17 | H20 | 0.5° | 0.1° |
| O18 | C16 | N15 | H1 | 1.9° | 0.0° |
| C16 | N15 | C14 | H1 | 180.0° | 179.8° |
| C16 | N15 | C14 | C13 | 178.6° | 179.8° |
| C16 | N15 | C14 | C19 | 1.9° | 0.3° |
| N15 | C16 | N17 | C20 | 0.5° | 0.1° |
| N15 | C16 | N17 | H20 | 179.5° | 180.0° |
| C14 | N15 | C16 | N17 | 0.9° | 0.2° |
| N15 | C14 | C13 | C19 | 176.7° | 179.9° |
| N15 | C14 | C19 | C20 | 1.5° | 0.0° |
| N15 | C14 | C13 | H2 | 169.5° | 175.1° |
| N15 | C14 | C13 | H3 | 69.6° | 55.1° |
| N15 | C14 | C19 | H15 | 178.5° | 179.9° |
| C16 | N17 | C20 | H20 | 180.0° | 179.9° |
| C16 | N17 | C20 | C19 | 0.9° | 0.3° |
| C16 | N17 | C20 | O21 | 179.7° | 180.0° |
| N17 | C16 | N15 | H1 | 179.1° | 180.0° |
| O02 | C01 | H7 | H8 | 120.0° | 120.0° |
| O02 | C01 | H7 | H9 | 120.0° | 120.0° |
| O02 | C01 | H8 | H9 | 120.0° | 120.1° |
| C13 | C14 | C19 | C20 | 178.1° | 180.0° |
| C14 | C13 | H2 | H3 | 121.5° | 120.0° |
| C13 | C14 | C19 | H15 | 1.9° | 0.0° |
| C13 | C14 | N15 | H1 | 1.4° | 0.0° |
| C14 | C19 | C20 | N17 | 0.1° | 0.3° |
| C14 | C19 | C20 | H15 | 180.0° | 180.0° |
| C14 | C19 | C20 | O21 | 179.3° | 179.9° |
| C19 | C14 | C13 | H2 | 7.2° | 4.9° |
| C19 | C14 | C13 | H3 | 113.8° | 124.8° |
| C19 | C14 | N15 | H1 | 178.1° | 179.9° |
| N17 | C20 | C19 | O21 | 179.4° | 179.6° |
| N17 | C20 | C19 | H15 | 179.9° | 179.7° |
| C19 | C20 | N17 | H20 | 179.1° | 179.8° |
| O21 | C20 | C19 | H15 | 0.7° | 0.1° |
| O21 | C20 | N17 | H20 | 0.3° | 0.1° |
| H4 | C22 | C24 | H5 | 1.6° | 0.0° |
| H4 | C22 | C24 | H6 | 142.7° | 145.0° |
| H4 | C22 | C23 | H17 | 1.4° | 145.0° |
| H4 | C22 | C23 | H18 | 142.7° | 0.1° |
| H5 | C24 | C23 | H17 | 0.1° | 145.0° |
| H5 | C24 | C23 | H18 | 141.2° | 0.0° |
| H6 | C24 | C23 | H17 | 141.2° | 0.0° |
| H6 | C24 | C23 | H18 | 0.1° | 145.0° |
| H7 | C01 | H8 | H9 | 120.0° | 119.9° |
