UFX
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O04 | N03 | sing | 1.42Å | 1.41Å | |
| O01 | C02 | doub | 1.21Å | 1.19Å | |
| N03 | C02 | sing | 1.35Å | 1.46Å | |
| C02 | C05 | sing | 1.51Å | 1.53Å | |
| F26 | C25 | sing | 1.40Å | 1.37Å | |
| C25 | F27 | sing | 1.40Å | 1.37Å | |
| C25 | C22 | sing | 1.53Å | 1.53Å | |
| C24 | C22 | sing | 1.53Å | 1.53Å | |
| C05 | C22 | sing | 1.53Å | 1.54Å | |
| C05 | N06 | sing | 1.47Å | 1.45Å | |
| C22 | O23 | sing | 1.43Å | 1.40Å | |
| N06 | C07 | sing | 1.35Å | 1.46Å | |
| O08 | C07 | doub | 1.22Å | 1.19Å | |
| C07 | C09 | sing | 1.48Å | 1.54Å | |
| C21 | C09 | doub | 1.40Å | 1.39Å | Aromatic |
| C21 | C20 | sing | 1.37Å | 1.39Å | Aromatic |
| C09 | C10 | sing | 1.40Å | 1.39Å | Aromatic |
| C20 | C12 | doub | 1.40Å | 1.39Å | Aromatic |
| C10 | C11 | doub | 1.37Å | 1.39Å | Aromatic |
| C12 | C11 | sing | 1.40Å | 1.39Å | Aromatic |
| C12 | C13 | sing | 1.43Å | 1.53Å | |
| C13 | C14 | trip | 1.17Å | 1.19Å | |
| C14 | C15 | sing | 1.38Å | 1.53Å | |
| C15 | C16 | trip | 1.17Å | 1.19Å | |
| C16 | C17 | sing | 1.47Å | 1.53Å | |
| C17 | C18 | sing | 1.53Å | 1.53Å | |
| C17 | C19 | sing | 1.53Å | 1.53Å | |
| C18 | C19 | sing | 1.53Å | 1.53Å | |
| C10 | H1 | sing | 1.08Å | 1.08Å | |
| C17 | H2 | sing | 1.09Å | 1.10Å | |
| C20 | H3 | sing | 1.08Å | 1.08Å | |
| C21 | H4 | sing | 1.08Å | 1.08Å | |
| C24 | H5 | sing | 1.09Å | 1.10Å | |
| C24 | H6 | sing | 1.09Å | 1.10Å | |
| C24 | H7 | sing | 1.09Å | 1.10Å | |
| C05 | H8 | sing | 1.09Å | 1.10Å | |
| C11 | H9 | sing | 1.08Å | 1.08Å | |
| C18 | H10 | sing | 1.09Å | 1.10Å | |
| C18 | H11 | sing | 1.09Å | 1.10Å | |
| C19 | H12 | sing | 1.09Å | 1.10Å | |
| C19 | H13 | sing | 1.09Å | 1.10Å | |
| C25 | H14 | sing | 1.09Å | 1.10Å | |
| N03 | H15 | sing | 0.97Å | 1.00Å | |
| N06 | H16 | sing | 0.97Å | 1.00Å | |
| O04 | H17 | sing | 0.97Å | 0.95Å | |
| O23 | H18 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O04 | N03 | C02 | 119.5° | 120.0° |
| O04 | N03 | H15 | 120.2° | 120.0° |
| N03 | O04 | H17 | 109.5° | 114.0° |
| O01 | C02 | N03 | 119.1° | 120.0° |
| O01 | C02 | C05 | 121.6° | 120.0° |
| N03 | C02 | C05 | 119.3° | 120.0° |
| C02 | N03 | H15 | 120.2° | 120.0° |
| C02 | C05 | C22 | 113.5° | 109.5° |
| C02 | C05 | N06 | 109.9° | 109.4° |
| C02 | C05 | H8 | 108.3° | 109.5° |
| F26 | C25 | F27 | 109.0° | 109.5° |
| F26 | C25 | C22 | 109.1° | 109.4° |
| F26 | C25 | H14 | 111.0° | 109.5° |
| F27 | C25 | C22 | 107.8° | 109.5° |
| F27 | C25 | H14 | 111.0° | 109.5° |
| C25 | C22 | C24 | 109.8° | 109.5° |
| C25 | C22 | C05 | 110.6° | 109.5° |
| C25 | C22 | O23 | 108.7° | 109.5° |
| C22 | C25 | H14 | 108.7° | 109.5° |
| C24 | C22 | C05 | 110.5° | 109.5° |
| C24 | C22 | O23 | 108.4° | 109.5° |
| C22 | C24 | H5 | 109.5° | 109.5° |
| C22 | C24 | H6 | 109.5° | 109.5° |
| C22 | C24 | H7 | 109.5° | 109.5° |
| C22 | C05 | N06 | 107.7° | 109.5° |
| C05 | C22 | O23 | 108.8° | 109.5° |
| C22 | C05 | H8 | 108.2° | 109.5° |
| C05 | N06 | C07 | 120.4° | 120.0° |
| N06 | C05 | H8 | 109.3° | 109.5° |
| C05 | N06 | H16 | 119.8° | 120.1° |
| C22 | O23 | H18 | 109.5° | 114.0° |
| N06 | C07 | O08 | 120.9° | 120.0° |
| N06 | C07 | C09 | 118.0° | 120.0° |
| C07 | N06 | H16 | 119.8° | 120.0° |
| O08 | C07 | C09 | 121.1° | 120.0° |
| C07 | C09 | C21 | 119.1° | 119.9° |
| C07 | C09 | C10 | 120.4° | 120.0° |
| C09 | C21 | C20 | 120.0° | 120.0° |
| C21 | C09 | C10 | 120.5° | 120.0° |
| C09 | C21 | H4 | 120.0° | 120.0° |
| C21 | C20 | C12 | 119.5° | 120.0° |
| C21 | C20 | H3 | 120.2° | 120.0° |
| C20 | C21 | H4 | 120.0° | 120.0° |
| C09 | C10 | C11 | 119.4° | 120.0° |
| C09 | C10 | H1 | 120.3° | 120.0° |
| C20 | C12 | C11 | 120.6° | 120.0° |
| C20 | C12 | C13 | 119.9° | 120.0° |
| C12 | C20 | H3 | 120.3° | 120.0° |
| C10 | C11 | C12 | 120.0° | 120.0° |
| C11 | C10 | H1 | 120.3° | 120.0° |
| C10 | C11 | H9 | 120.0° | 120.0° |
| C11 | C12 | C13 | 119.6° | 120.1° |
| C12 | C11 | H9 | 120.0° | 120.0° |
| C12 | C13 | C14 | 179.2° | 180.0° |
| C13 | C14 | C15 | 176.7° | 180.0° |
| C14 | C15 | C16 | 177.1° | 180.0° |
| C15 | C16 | C17 | 177.1° | 180.0° |
| C16 | C17 | C18 | 114.7° | 117.5° |
| C16 | C17 | C19 | 115.4° | 117.5° |
| C16 | C17 | H2 | 117.9° | 115.6° |
| C18 | C17 | C19 | 60.0° | 60.0° |
| C17 | C18 | C19 | 60.0° | 60.0° |
| C18 | C17 | H2 | 118.0° | 117.5° |
| C17 | C18 | H10 | 120.0° | 117.5° |
| C17 | C18 | H11 | 120.0° | 117.5° |
| C17 | C19 | C18 | 60.0° | 60.0° |
| C19 | C17 | H2 | 118.0° | 117.5° |
| C17 | C19 | H12 | 120.0° | 117.5° |
| C17 | C19 | H13 | 120.0° | 117.5° |
| C19 | C18 | H10 | 120.0° | 117.5° |
| C19 | C18 | H11 | 120.0° | 117.5° |
| C18 | C19 | H12 | 120.0° | 117.5° |
| C18 | C19 | H13 | 120.0° | 117.5° |
| H5 | C24 | H6 | 109.5° | 109.4° |
| H5 | C24 | H7 | 109.5° | 109.5° |
| H6 | C24 | H7 | 109.4° | 109.4° |
| H10 | C18 | H11 | 109.5° | 115.5° |
| H12 | C19 | H13 | 109.4° | 115.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O04 | N03 | C02 | O01 | 0.5° | 4.9° |
| O04 | N03 | C02 | H15 | 180.0° | 179.9° |
| O04 | N03 | C02 | C05 | 179.7° | 175.0° |
| O01 | C02 | N03 | C05 | 179.2° | 179.9° |
| O01 | C02 | C05 | C22 | 55.5° | 101.5° |
| O01 | C02 | C05 | N06 | 65.1° | 18.5° |
| O01 | C02 | C05 | H8 | 175.6° | 138.5° |
| O01 | C02 | N03 | H15 | 179.5° | 175.0° |
| N03 | C02 | C05 | C22 | 125.3° | 78.6° |
| N03 | C02 | C05 | N06 | 114.1° | 161.4° |
| N03 | C02 | C05 | H8 | 5.2° | 41.4° |
| C02 | N03 | O04 | H17 | 0.2° | 180.0° |
| C02 | C05 | C22 | C25 | 48.8° | 63.4° |
| C02 | C05 | C22 | C24 | 72.9° | 176.6° |
| C02 | C05 | C22 | N06 | 121.8° | 120.0° |
| C02 | C05 | C22 | H8 | 120.2° | 120.0° |
| C02 | C05 | N06 | H8 | 118.7° | 120.0° |
| C02 | C05 | C22 | O23 | 168.2° | 56.6° |
| C02 | C05 | N06 | C07 | 88.7° | 155.0° |
| C05 | C02 | N03 | H15 | 0.3° | 5.1° |
| C02 | C05 | N06 | H16 | 91.3° | 25.0° |
| F26 | C25 | F27 | C22 | 118.3° | 120.0° |
| F26 | C25 | F27 | H14 | 122.6° | 120.0° |
| F26 | C25 | C22 | H14 | 121.2° | 120.0° |
| F26 | C25 | C22 | C24 | 163.0° | 180.0° |
| F26 | C25 | C22 | C05 | 40.8° | 60.0° |
| F26 | C25 | C22 | O23 | 78.6° | 60.0° |
| F27 | C25 | C22 | H14 | 120.5° | 120.0° |
| F27 | C25 | C22 | C24 | 78.8° | 60.0° |
| F27 | C25 | C22 | C05 | 159.1° | 180.0° |
| F27 | C25 | C22 | O23 | 39.7° | 60.0° |
| C25 | C22 | C24 | C05 | 122.2° | 120.0° |
| C25 | C22 | C24 | O23 | 118.7° | 120.0° |
| C25 | C22 | C05 | O23 | 119.3° | 120.0° |
| C25 | C22 | C05 | N06 | 170.6° | 56.5° |
| C25 | C22 | C24 | H5 | 180.0° | 173.4° |
| C25 | C22 | C24 | H6 | 60.0° | 53.5° |
| C25 | C22 | C24 | H7 | 60.0° | 66.5° |
| C25 | C22 | C05 | H8 | 71.3° | 176.5° |
| C25 | C22 | O23 | H18 | 180.0° | 53.9° |
| C24 | C22 | C05 | O23 | 118.9° | 120.0° |
| C24 | C22 | C05 | N06 | 48.9° | 63.4° |
| C22 | C24 | H5 | H6 | 120.0° | 120.0° |
| C22 | C24 | H5 | H7 | 120.0° | 120.0° |
| C22 | C24 | H6 | H7 | 120.0° | 120.0° |
| C24 | C22 | C05 | H8 | 167.0° | 56.6° |
| C24 | C22 | C25 | H14 | 41.7° | 60.0° |
| C24 | C22 | O23 | H18 | 60.7° | 173.9° |
| C22 | C05 | N06 | H8 | 117.3° | 120.0° |
| C22 | C05 | N06 | C07 | 147.3° | 85.0° |
| C05 | C22 | C24 | H5 | 57.8° | 53.4° |
| C05 | C22 | C24 | H6 | 62.2° | 66.5° |
| C05 | C22 | C24 | H7 | 177.8° | 173.5° |
| C05 | C22 | C25 | H14 | 80.5° | 60.0° |
| C22 | C05 | N06 | H16 | 32.7° | 95.0° |
| C05 | C22 | O23 | H18 | 59.5° | 66.1° |
| N06 | C05 | C22 | O23 | 70.0° | 176.6° |
| C05 | N06 | C07 | H16 | 180.0° | 180.0° |
| C05 | N06 | C07 | O08 | 0.1° | 0.0° |
| C05 | N06 | C07 | C09 | 179.2° | 180.0° |
| O23 | C22 | C24 | H5 | 61.4° | 66.5° |
| O23 | C22 | C24 | H6 | 178.6° | 173.5° |
| O23 | C22 | C24 | H7 | 58.7° | 53.5° |
| O23 | C22 | C05 | H8 | 48.0° | 63.4° |
| O23 | C22 | C25 | H14 | 160.2° | 180.0° |
| N06 | C07 | O08 | C09 | 179.3° | 180.0° |
| N06 | C07 | C09 | C21 | 34.5° | 180.0° |
| N06 | C07 | C09 | C10 | 144.3° | 0.0° |
| C07 | N06 | C05 | H8 | 30.0° | 35.0° |
| O08 | C07 | C09 | C21 | 146.2° | 0.0° |
| O08 | C07 | C09 | C10 | 35.0° | 179.9° |
| O08 | C07 | N06 | H16 | 179.9° | 180.0° |
| C07 | C09 | C21 | C10 | 178.8° | 180.0° |
| C07 | C09 | C21 | C20 | 179.4° | 179.4° |
| C07 | C09 | C10 | C11 | 179.4° | 180.0° |
| C07 | C09 | C10 | H1 | 0.6° | 0.3° |
| C07 | C09 | C21 | H4 | 0.6° | 0.0° |
| C09 | C07 | N06 | H16 | 0.8° | 0.0° |
| C09 | C21 | C20 | H4 | 180.0° | 179.5° |
| C09 | C21 | C20 | C12 | 0.2° | 0.9° |
| C21 | C09 | C10 | C11 | 0.7° | 0.1° |
| C21 | C09 | C10 | H1 | 179.3° | 179.7° |
| C09 | C21 | C20 | H3 | 179.8° | 179.7° |
| C20 | C21 | C09 | C10 | 0.6° | 0.5° |
| C21 | C20 | C12 | H3 | 180.0° | 179.4° |
| C21 | C20 | C12 | C11 | 0.1° | 0.6° |
| C21 | C20 | C12 | C13 | 179.8° | 180.0° |
| C09 | C10 | C11 | H1 | 180.0° | 179.7° |
| C09 | C10 | C11 | C12 | 0.4° | 0.3° |
| C10 | C09 | C21 | H4 | 179.4° | 180.0° |
| C09 | C10 | C11 | H9 | 179.6° | 179.7° |
| C20 | C12 | C11 | C10 | 0.0° | 0.0° |
| C20 | C12 | C11 | C13 | 179.9° | 179.4° |
| C20 | C12 | C13 | C14 | 122.6° | 152.2° |
| C12 | C20 | C21 | H4 | 179.8° | 179.7° |
| C20 | C12 | C11 | H9 | 180.0° | 180.0° |
| C10 | C11 | C12 | H9 | 180.0° | 180.0° |
| C10 | C11 | C12 | C13 | 179.9° | 179.4° |
| C11 | C12 | C13 | C14 | 57.4° | 28.4° |
| C12 | C11 | C10 | H1 | 179.6° | 180.0° |
| C11 | C12 | C20 | H3 | 179.9° | 180.0° |
| C12 | C13 | C14 | C15 | 22.2° | 33.8° |
| C13 | C12 | C20 | H3 | 0.2° | 0.6° |
| C13 | C12 | C11 | H9 | 0.1° | 0.6° |
| C13 | C14 | C15 | C16 | 24.5° | NaN° |
| C14 | C15 | C16 | C17 | 115.7° | 155.2° |
| C15 | C16 | C17 | C18 | 116.9° | 86.4° |
| C15 | C16 | C17 | C19 | 49.9° | 155.1° |
| C15 | C16 | C17 | H2 | 97.2° | 59.2° |
| C16 | C17 | C18 | C19 | 106.2° | 107.5° |
| C16 | C17 | C18 | H2 | 145.9° | 145.0° |
| C16 | C17 | C19 | H2 | 147.1° | 145.0° |
| C16 | C17 | C18 | H10 | 144.3° | 145.0° |
| C16 | C17 | C18 | H11 | 3.2° | 0.0° |
| C16 | C17 | C19 | H12 | 4.5° | 0.0° |
| C16 | C17 | C19 | H13 | 145.5° | 145.0° |
| C18 | C17 | C19 | H2 | 107.9° | 107.4° |
| C17 | C18 | C19 | H10 | 109.5° | 107.5° |
| C17 | C18 | C19 | H11 | 109.5° | 107.5° |
| C17 | C18 | H10 | H11 | 144.8° | 145.7° |
| C18 | C17 | C19 | H12 | 109.5° | 107.5° |
| C18 | C17 | C19 | H13 | 109.5° | 107.4° |
| C17 | C19 | H12 | H13 | 144.7° | 145.7° |
| C19 | C18 | H10 | H11 | 144.7° | 145.7° |
| C18 | C19 | H12 | H13 | 144.8° | 145.7° |
| H1 | C10 | C11 | H9 | 0.4° | 0.0° |
| H2 | C17 | C18 | H10 | 1.6° | 0.0° |
| H2 | C17 | C18 | H11 | 142.6° | 145.0° |
| H2 | C17 | C19 | H12 | 142.6° | 145.1° |
| H2 | C17 | C19 | H13 | 1.6° | 0.0° |
| H3 | C20 | C21 | H4 | 0.2° | 0.3° |
| H5 | C24 | H6 | H7 | 120.0° | 120.0° |
| H8 | C05 | N06 | H16 | 150.0° | 145.0° |
| H10 | C18 | C19 | H12 | 141.1° | 145.0° |
| H10 | C18 | C19 | H13 | 0.0° | 0.0° |
| H11 | C18 | C19 | H12 | 0.0° | 0.0° |
| H11 | C18 | C19 | H13 | 141.0° | 145.0° |
| H15 | N03 | O04 | H17 | 179.8° | 0.1° |
