CFQ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| AS | C1 | sing | 2.24Å | 2.24Å | |
| AS | C2 | sing | 2.23Å | 2.23Å | |
| AS | C3 | sing | 2.24Å | 2.24Å | |
| AS | C4 | sing | 2.24Å | 2.24Å | |
| C4 | C5 | sing | 1.55Å | 1.55Å | |
| C5 | O1 | sing | 1.45Å | 1.45Å | |
| O1 | C6 | sing | 1.44Å | 1.44Å | |
| C6 | C14 | sing | 1.55Å | 1.55Å | |
| C6 | C7 | sing | 1.59Å | 1.59Å | |
| C14 | F1 | sing | 1.33Å | 1.33Å | |
| C14 | F2 | sing | 1.32Å | 1.32Å | |
| C14 | F3 | sing | 1.33Å | 1.33Å | |
| C7 | C8 | sing | 1.45Å | 1.45Å | Aromatic |
| C7 | C12 | doub | 1.42Å | 1.42Å | Aromatic |
| C8 | C9 | doub | 1.42Å | 1.42Å | Aromatic |
| C8 | N2 | sing | 1.52Å | 1.52Å | |
| C9 | C10 | sing | 1.39Å | 1.39Å | Aromatic |
| C10 | C11 | doub | 1.39Å | 1.39Å | Aromatic |
| C11 | C12 | sing | 1.40Å | 1.40Å | Aromatic |
| N2 | O2 | sing | 1.22Å | 1.22Å | |
| N2 | O3 | doub | 1.22Å | 1.22Å | |
| C1 | H1C1 | sing | 1.10Å | 1.10Å | |
| C1 | H1C2 | sing | 1.10Å | 1.10Å | |
| C1 | H1C3 | sing | 1.10Å | 1.10Å | |
| C2 | H2C1 | sing | 1.10Å | 1.10Å | |
| C2 | H2C2 | sing | 1.10Å | 1.10Å | |
| C2 | H2C3 | sing | 1.10Å | 1.10Å | |
| C3 | H3C1 | sing | 1.10Å | 1.10Å | |
| C3 | H3C2 | sing | 1.10Å | 1.10Å | |
| C3 | H3C3 | sing | 1.10Å | 1.10Å | |
| C4 | H4C1 | sing | 1.10Å | 1.10Å | |
| C4 | H4C2 | sing | 1.10Å | 1.10Å | |
| C5 | H5C1 | sing | 1.10Å | 1.10Å | |
| C5 | H5C2 | sing | 1.10Å | 1.10Å | |
| C6 | H6 | sing | 1.10Å | 1.10Å | |
| C12 | H12 | sing | 1.08Å | 1.08Å | |
| C9 | H9 | sing | 1.08Å | 1.08Å | |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| C11 | H11 | sing | 1.08Å | 1.08Å | |
| O2 | H2 | sing | 0.95Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | AS | C2 | 110.0° | 110.0° |
| C1 | AS | C3 | 109.4° | 109.4° |
| C1 | AS | C4 | 108.9° | 108.9° |
| AS | C1 | H1C1 | 109.5° | 109.5° |
| AS | C1 | H1C2 | 109.5° | 109.4° |
| AS | C1 | H1C3 | 109.4° | 109.4° |
| C2 | AS | C3 | 107.5° | 107.5° |
| C2 | AS | C4 | 109.4° | 109.4° |
| AS | C2 | H2C1 | 109.5° | 109.5° |
| AS | C2 | H2C2 | 109.4° | 109.4° |
| AS | C2 | H2C3 | 109.5° | 109.5° |
| C3 | AS | C4 | 111.7° | 111.7° |
| AS | C3 | H3C1 | 109.5° | 109.5° |
| AS | C3 | H3C2 | 109.5° | 109.5° |
| AS | C3 | H3C3 | 109.4° | 109.4° |
| AS | C4 | C5 | 114.0° | 114.0° |
| AS | C4 | H4C1 | 108.0° | 108.0° |
| AS | C4 | H4C2 | 107.0° | 107.0° |
| C4 | C5 | O1 | 111.7° | 111.7° |
| C5 | C4 | H4C1 | 108.0° | 108.0° |
| C5 | C4 | H4C2 | 107.0° | 107.0° |
| C4 | C5 | H5C1 | 108.7° | 108.7° |
| C4 | C5 | H5C2 | 108.2° | 108.2° |
| C5 | O1 | C6 | 116.8° | 116.8° |
| O1 | C5 | H5C1 | 108.8° | 108.8° |
| O1 | C5 | H5C2 | 108.2° | 108.2° |
| O1 | C6 | C14 | 110.0° | 110.0° |
| O1 | C6 | C7 | 105.7° | 105.7° |
| O1 | C6 | H6 | 115.3° | 115.3° |
| C14 | C6 | C7 | 118.6° | 118.6° |
| C6 | C14 | F1 | 112.7° | 112.7° |
| C6 | C14 | F2 | 112.6° | 112.6° |
| C6 | C14 | F3 | 111.9° | 111.9° |
| C14 | C6 | H6 | 101.4° | 101.4° |
| C6 | C7 | C8 | 122.4° | 122.4° |
| C6 | C7 | C12 | 119.3° | 119.3° |
| C7 | C6 | H6 | 106.1° | 106.1° |
| F1 | C14 | F2 | 106.7° | 106.7° |
| F1 | C14 | F3 | 105.3° | 105.3° |
| F2 | C14 | F3 | 107.2° | 107.2° |
| C8 | C7 | C12 | 118.3° | 118.3° |
| C7 | C8 | C9 | 118.5° | 118.5° |
| C7 | C8 | N2 | 126.4° | 126.4° |
| C7 | C12 | C11 | 121.1° | 121.1° |
| C7 | C12 | H12 | 119.4° | 119.4° |
| C9 | C8 | N2 | 115.2° | 115.2° |
| C8 | C9 | C10 | 121.2° | 121.2° |
| C8 | C9 | H9 | 119.4° | 119.4° |
| C8 | N2 | O2 | 122.5° | 122.5° |
| C8 | N2 | O3 | 121.9° | 121.9° |
| C9 | C10 | C11 | 120.5° | 120.5° |
| C10 | C9 | H9 | 119.4° | 119.4° |
| C9 | C10 | H10 | 119.7° | 119.7° |
| C10 | C11 | C12 | 120.4° | 120.4° |
| C11 | C10 | H10 | 119.8° | 119.8° |
| C10 | C11 | H11 | 119.8° | 119.8° |
| C11 | C12 | H12 | 119.4° | 119.4° |
| C12 | C11 | H11 | 119.8° | 119.8° |
| O2 | N2 | O3 | 115.7° | 115.7° |
| N2 | O2 | H2 | 109.5° | 109.5° |
| H1C1 | C1 | H1C2 | 109.4° | 109.4° |
| H1C1 | C1 | H1C3 | 109.5° | 109.5° |
| H1C2 | C1 | H1C3 | 109.5° | 109.5° |
| H2C1 | C2 | H2C2 | 109.5° | 109.5° |
| H2C1 | C2 | H2C3 | 109.5° | 109.4° |
| H2C2 | C2 | H2C3 | 109.5° | 109.5° |
| H3C1 | C3 | H3C2 | 109.5° | 109.5° |
| H3C1 | C3 | H3C3 | 109.5° | 109.5° |
| H3C2 | C3 | H3C3 | 109.5° | 109.5° |
| H4C1 | C4 | H4C2 | 113.1° | 113.1° |
| H5C1 | C5 | H5C2 | 111.2° | 111.2° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | AS | C2 | C3 | 119.0° | 119.0° |
| C1 | AS | C2 | C4 | 119.6° | 119.6° |
| C1 | AS | C3 | C4 | 120.6° | 120.6° |
| C1 | AS | C4 | C5 | 178.4° | 178.4° |
| AS | C1 | H1C1 | H1C2 | 120.0° | 120.0° |
| AS | C1 | H1C1 | H1C3 | 120.0° | 120.0° |
| AS | C1 | H1C2 | H1C3 | 120.0° | 120.0° |
| C1 | AS | C2 | H2C1 | 100.1° | 100.1° |
| C1 | AS | C2 | H2C2 | 20.0° | 20.0° |
| C1 | AS | C2 | H2C3 | 139.9° | 139.9° |
| C1 | AS | C3 | H3C1 | 127.6° | 127.6° |
| C1 | AS | C3 | H3C2 | 7.6° | 7.6° |
| C1 | AS | C3 | H3C3 | 112.4° | 112.4° |
| C1 | AS | C4 | H4C1 | 61.6° | 61.6° |
| C1 | AS | C4 | H4C2 | 60.4° | 60.4° |
| C2 | AS | C3 | C4 | 120.0° | 120.0° |
| C2 | AS | C4 | C5 | 61.4° | 61.4° |
| C2 | AS | C1 | H1C1 | 81.0° | 81.0° |
| C2 | AS | C1 | H1C2 | 39.0° | 39.0° |
| C2 | AS | C1 | H1C3 | 159.0° | 159.0° |
| AS | C2 | H2C1 | H2C2 | 120.0° | 120.0° |
| AS | C2 | H2C1 | H2C3 | 120.0° | 120.0° |
| AS | C2 | H2C2 | H2C3 | 120.0° | 120.0° |
| C2 | AS | C3 | H3C1 | 113.0° | 113.0° |
| C2 | AS | C3 | H3C2 | 127.0° | 127.0° |
| C2 | AS | C3 | H3C3 | 7.0° | 7.0° |
| C2 | AS | C4 | H4C1 | 58.6° | 58.6° |
| C2 | AS | C4 | H4C2 | 179.4° | 179.4° |
| C3 | AS | C4 | C5 | 57.5° | 57.5° |
| C3 | AS | C1 | H1C1 | 161.2° | 161.2° |
| C3 | AS | C1 | H1C2 | 78.8° | 78.8° |
| C3 | AS | C1 | H1C3 | 41.2° | 41.2° |
| C3 | AS | C2 | H2C1 | 18.9° | 18.9° |
| C3 | AS | C2 | H2C2 | 138.9° | 138.9° |
| C3 | AS | C2 | H2C3 | 101.1° | 101.1° |
| AS | C3 | H3C1 | H3C2 | 120.0° | 120.0° |
| AS | C3 | H3C1 | H3C3 | 120.0° | 120.0° |
| AS | C3 | H3C2 | H3C3 | 120.0° | 120.0° |
| C3 | AS | C4 | H4C1 | 177.5° | 177.5° |
| C3 | AS | C4 | H4C2 | 60.5° | 60.5° |
| AS | C4 | C5 | H4C1 | 120.0° | 120.0° |
| AS | C4 | C5 | H4C2 | 118.0° | 118.0° |
| AS | C4 | C5 | O1 | 28.8° | 28.8° |
| C4 | AS | C1 | H1C1 | 38.9° | 38.9° |
| C4 | AS | C1 | H1C2 | 158.9° | 158.9° |
| C4 | AS | C1 | H1C3 | 81.1° | 81.1° |
| C4 | AS | C2 | H2C1 | 140.4° | 140.3° |
| C4 | AS | C2 | H2C2 | 99.6° | 99.6° |
| C4 | AS | C2 | H2C3 | 20.4° | 20.4° |
| C4 | AS | C3 | H3C1 | 7.0° | 7.0° |
| C4 | AS | C3 | H3C2 | 113.0° | 113.0° |
| C4 | AS | C3 | H3C3 | 127.0° | 127.0° |
| AS | C4 | H4C1 | H4C2 | 118.1° | 118.1° |
| AS | C4 | C5 | H5C1 | 148.8° | 148.8° |
| AS | C4 | C5 | H5C2 | 90.3° | 90.3° |
| C4 | C5 | O1 | H5C1 | 120.0° | 120.0° |
| C4 | C5 | O1 | H5C2 | 119.1° | 119.1° |
| C4 | C5 | O1 | C6 | 169.3° | 169.3° |
| C5 | C4 | H4C1 | H4C2 | 118.1° | 118.1° |
| C4 | C5 | H5C1 | H5C2 | 119.1° | 119.1° |
| C5 | O1 | C6 | C14 | 143.3° | 143.3° |
| C5 | O1 | C6 | C7 | 87.5° | 87.5° |
| O1 | C5 | C4 | H4C1 | 91.3° | 91.3° |
| O1 | C5 | C4 | H4C2 | 146.8° | 146.8° |
| O1 | C5 | H5C1 | H5C2 | 119.1° | 119.1° |
| C5 | O1 | C6 | H6 | 29.4° | 29.4° |
| O1 | C6 | C14 | C7 | 121.8° | 121.8° |
| O1 | C6 | C14 | H6 | 122.6° | 122.6° |
| O1 | C6 | C7 | H6 | 123.0° | 123.0° |
| O1 | C6 | C14 | F1 | 176.0° | 176.0° |
| O1 | C6 | C14 | F2 | 55.2° | 55.2° |
| O1 | C6 | C14 | F3 | 65.6° | 65.6° |
| O1 | C6 | C7 | C8 | 128.1° | 128.1° |
| O1 | C6 | C7 | C12 | 51.8° | 51.8° |
| C6 | O1 | C5 | H5C1 | 49.3° | 49.3° |
| C6 | O1 | C5 | H5C2 | 71.7° | 71.7° |
| C14 | C6 | C7 | H6 | 113.1° | 113.1° |
| C6 | C14 | F1 | F2 | 124.0° | 124.0° |
| C6 | C14 | F1 | F3 | 122.2° | 122.2° |
| C6 | C14 | F2 | F3 | 123.4° | 123.4° |
| C14 | C6 | C7 | C8 | 107.9° | 107.9° |
| C14 | C6 | C7 | C12 | 72.2° | 72.2° |
| C7 | C6 | C14 | F1 | 54.2° | 54.2° |
| C7 | C6 | C14 | F2 | 66.5° | 66.5° |
| C7 | C6 | C14 | F3 | 172.6° | 172.6° |
| C6 | C7 | C8 | C12 | 179.9° | 179.9° |
| C6 | C7 | C8 | C9 | 179.4° | 179.4° |
| C6 | C7 | C8 | N2 | 0.4° | 0.4° |
| C6 | C7 | C12 | C11 | 179.4° | 179.4° |
| C6 | C7 | C12 | H12 | 0.6° | 0.6° |
| F1 | C14 | F2 | F3 | 112.5° | 112.5° |
| F1 | C14 | C6 | H6 | 61.5° | 61.5° |
| F2 | C14 | C6 | H6 | 177.8° | 177.8° |
| F3 | C14 | C6 | H6 | 57.0° | 57.0° |
| C7 | C8 | C9 | N2 | 179.8° | 179.8° |
| C7 | C8 | C9 | C10 | 0.1° | 0.1° |
| C8 | C7 | C12 | C11 | 0.5° | 0.5° |
| C7 | C8 | N2 | O2 | 0.4° | 0.4° |
| C7 | C8 | N2 | O3 | 179.2° | 179.2° |
| C8 | C7 | C6 | H6 | 5.2° | 5.2° |
| C8 | C7 | C12 | H12 | 179.5° | 179.5° |
| C7 | C8 | C9 | H9 | 179.9° | 179.9° |
| C12 | C7 | C8 | C9 | 0.5° | 0.5° |
| C12 | C7 | C8 | N2 | 179.7° | 179.7° |
| C7 | C12 | C11 | C10 | 0.1° | 0.1° |
| C7 | C12 | C11 | H12 | 180.0° | 180.0° |
| C12 | C7 | C6 | H6 | 174.7° | 174.7° |
| C7 | C12 | C11 | H11 | 179.9° | 179.9° |
| C8 | C9 | C10 | H9 | 180.0° | 180.0° |
| C8 | C9 | C10 | C11 | 0.3° | 0.3° |
| C9 | C8 | N2 | O2 | 179.8° | 179.8° |
| C9 | C8 | N2 | O3 | 0.6° | 0.6° |
| C8 | C9 | C10 | H10 | 179.7° | 179.7° |
| N2 | C8 | C9 | C10 | 179.9° | 179.9° |
| C8 | N2 | O2 | O3 | 179.6° | 179.6° |
| N2 | C8 | C9 | H9 | 0.1° | 0.1° |
| C8 | N2 | O2 | H2 | 3.0° | 3.0° |
| C9 | C10 | C11 | H10 | 180.0° | 180.0° |
| C9 | C10 | C11 | C12 | 0.3° | 0.3° |
| C9 | C10 | C11 | H11 | 179.7° | 179.7° |
| C10 | C11 | C12 | H11 | 180.0° | 180.0° |
| C10 | C11 | C12 | H12 | 179.9° | 179.9° |
| C11 | C10 | C9 | H9 | 179.7° | 179.7° |
| C12 | C11 | C10 | H10 | 179.7° | 179.7° |
| O3 | N2 | O2 | H2 | 177.4° | 177.4° |
| H1C1 | C1 | H1C2 | H1C3 | 120.0° | 120.0° |
| H2C1 | C2 | H2C2 | H2C3 | 120.0° | 120.0° |
| H3C1 | C3 | H3C2 | H3C3 | 120.0° | 120.0° |
| H4C1 | C4 | C5 | H5C1 | 28.8° | 28.8° |
| H4C1 | C4 | C5 | H5C2 | 149.7° | 149.7° |
| H4C2 | C4 | C5 | H5C1 | 93.2° | 93.2° |
| H4C2 | C4 | C5 | H5C2 | 27.7° | 27.7° |
| H12 | C12 | C11 | H11 | 0.1° | 0.1° |
| H9 | C9 | C10 | H10 | 0.3° | 0.3° |
| H10 | C10 | C11 | H11 | 0.3° | 0.3° |
