5UX
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F04 | C03 | sing | 1.35Å | 1.29Å | |
| C05 | C03 | doub | 1.38Å | 1.35Å | Aromatic |
| C05 | C06 | sing | 1.38Å | 1.37Å | Aromatic |
| C03 | C02 | sing | 1.39Å | 1.34Å | Aromatic |
| C06 | C07 | doub | 1.39Å | 1.36Å | Aromatic |
| C14 | C15 | sing | 1.53Å | 1.51Å | |
| C14 | C13 | sing | 1.53Å | 1.50Å | |
| C15 | C10 | sing | 1.51Å | 1.51Å | |
| C02 | CL01 | sing | 1.74Å | 1.69Å | |
| C02 | C24 | doub | 1.38Å | 1.35Å | Aromatic |
| C07 | C24 | sing | 1.39Å | 1.36Å | Aromatic |
| C07 | N08 | sing | 1.40Å | 1.37Å | |
| C13 | C12 | sing | 1.53Å | 1.51Å | |
| N08 | C09 | sing | 1.39Å | 1.38Å | |
| C10 | C09 | doub | 1.39Å | 1.35Å | Aromatic |
| C10 | C11 | sing | 1.38Å | 1.37Å | Aromatic |
| C12 | C11 | sing | 1.51Å | 1.49Å | |
| C09 | C23 | sing | 1.41Å | 1.35Å | Aromatic |
| C11 | N16 | doub | 1.32Å | 1.34Å | Aromatic |
| C23 | C22 | doub | 1.40Å | 1.36Å | Aromatic |
| C23 | C17 | sing | 1.42Å | 1.37Å | Aromatic |
| N16 | C17 | sing | 1.33Å | 1.36Å | Aromatic |
| C22 | C21 | sing | 1.36Å | 1.36Å | Aromatic |
| C17 | C18 | doub | 1.41Å | 1.38Å | Aromatic |
| C21 | C19 | doub | 1.39Å | 1.37Å | Aromatic |
| C18 | C19 | sing | 1.36Å | 1.38Å | Aromatic |
| C19 | CL20 | sing | 1.74Å | 1.71Å | |
| C13 | H1 | sing | 1.09Å | 1.10Å | |
| C13 | H2 | sing | 1.09Å | 1.10Å | |
| C15 | H3 | sing | 1.09Å | 1.10Å | |
| C15 | H4 | sing | 1.09Å | 1.10Å | |
| C21 | H5 | sing | 1.08Å | 1.08Å | |
| C22 | H6 | sing | 1.08Å | 1.08Å | |
| C24 | H7 | sing | 1.08Å | 1.08Å | |
| C05 | H8 | sing | 1.08Å | 1.08Å | |
| C06 | H9 | sing | 1.08Å | 1.08Å | |
| N08 | H10 | sing | 0.97Å | 1.00Å | |
| C12 | H11 | sing | 1.09Å | 1.10Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| C14 | H13 | sing | 1.09Å | 1.10Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| C18 | H15 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F04 | C03 | C05 | 121.4° | 120.0° |
| F04 | C03 | C02 | 118.2° | 120.0° |
| C03 | C05 | C06 | 120.1° | 120.1° |
| C05 | C03 | C02 | 120.3° | 120.1° |
| C03 | C05 | H8 | 119.9° | 120.0° |
| C05 | C06 | C07 | 119.3° | 120.0° |
| C06 | C05 | H8 | 119.9° | 120.0° |
| C05 | C06 | H9 | 120.4° | 120.0° |
| C03 | C02 | CL01 | 117.7° | 120.0° |
| C03 | C02 | C24 | 120.4° | 120.0° |
| C06 | C07 | C24 | 119.8° | 119.9° |
| C06 | C07 | N08 | 119.6° | 120.1° |
| C07 | C06 | H9 | 120.4° | 120.0° |
| C15 | C14 | C13 | 113.8° | 108.4° |
| C14 | C15 | C10 | 115.5° | 110.6° |
| C14 | C15 | H3 | 107.9° | 109.3° |
| C14 | C15 | H4 | 107.9° | 109.3° |
| C15 | C14 | H13 | 108.3° | 109.7° |
| C15 | C14 | H14 | 108.4° | 109.7° |
| C14 | C13 | C12 | 108.9° | 108.4° |
| C14 | C13 | H1 | 109.6° | 109.7° |
| C14 | C13 | H2 | 109.6° | 109.8° |
| C13 | C14 | H13 | 108.4° | 109.7° |
| C13 | C14 | H14 | 108.4° | 109.7° |
| C15 | C10 | C09 | 116.8° | 117.5° |
| C15 | C10 | C11 | 121.5° | 122.8° |
| C10 | C15 | H3 | 107.9° | 109.2° |
| C10 | C15 | H4 | 107.9° | 109.2° |
| CL01 | C02 | C24 | 121.9° | 120.0° |
| C02 | C24 | C07 | 120.0° | 119.9° |
| C02 | C24 | H7 | 120.0° | 120.0° |
| C24 | C07 | N08 | 120.6° | 120.0° |
| C07 | C24 | H7 | 120.0° | 120.1° |
| C07 | N08 | C09 | 124.1° | 120.0° |
| C07 | N08 | H10 | 117.9° | 120.0° |
| C13 | C12 | C11 | 111.1° | 110.6° |
| C12 | C13 | H1 | 109.6° | 109.6° |
| C12 | C13 | H2 | 109.6° | 109.6° |
| C13 | C12 | H11 | 109.0° | 109.2° |
| C13 | C12 | H12 | 109.1° | 109.3° |
| N08 | C09 | C10 | 120.2° | 120.8° |
| N08 | C09 | C23 | 120.6° | 120.8° |
| C09 | N08 | H10 | 117.9° | 120.0° |
| C09 | C10 | C11 | 121.7° | 119.7° |
| C10 | C09 | C23 | 119.2° | 118.4° |
| C10 | C11 | C12 | 120.7° | 122.1° |
| C10 | C11 | N16 | 118.9° | 121.0° |
| C12 | C11 | N16 | 120.5° | 117.0° |
| C11 | C12 | H11 | 109.1° | 109.3° |
| C11 | C12 | H12 | 109.0° | 109.3° |
| C09 | C23 | C22 | 119.9° | 121.6° |
| C09 | C23 | C17 | 119.4° | 118.6° |
| C11 | N16 | C17 | 120.2° | 122.6° |
| C22 | C23 | C17 | 120.6° | 119.8° |
| C23 | C22 | C21 | 121.0° | 119.6° |
| C23 | C22 | H6 | 119.5° | 120.2° |
| C23 | C17 | N16 | 120.5° | 119.7° |
| C23 | C17 | C18 | 119.0° | 119.0° |
| N16 | C17 | C18 | 120.5° | 121.2° |
| C22 | C21 | C19 | 119.0° | 120.8° |
| C22 | C21 | H5 | 120.5° | 119.6° |
| C21 | C22 | H6 | 119.5° | 120.2° |
| C17 | C18 | C19 | 119.7° | 119.8° |
| C17 | C18 | H15 | 120.2° | 120.1° |
| C21 | C19 | C18 | 120.7° | 121.0° |
| C21 | C19 | CL20 | 119.2° | 119.5° |
| C19 | C21 | H5 | 120.5° | 119.6° |
| C18 | C19 | CL20 | 120.1° | 119.5° |
| C19 | C18 | H15 | 120.2° | 120.1° |
| H1 | C13 | H2 | 109.5° | 109.6° |
| H3 | C15 | H4 | 109.5° | 109.2° |
| H11 | C12 | H12 | 109.5° | 109.2° |
| H13 | C14 | H14 | 109.5° | 109.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F04 | C03 | C05 | C02 | 179.3° | 180.0° |
| F04 | C03 | C05 | C06 | 179.2° | 179.9° |
| F04 | C03 | C02 | CL01 | 0.1° | 0.0° |
| F04 | C03 | C02 | C24 | 179.4° | 180.0° |
| F04 | C03 | C05 | H8 | 0.8° | 0.0° |
| C03 | C05 | C06 | H8 | 180.0° | 179.9° |
| C03 | C05 | C06 | C07 | 1.7° | 0.2° |
| C05 | C03 | C02 | CL01 | 179.4° | 180.0° |
| C05 | C03 | C02 | C24 | 0.1° | 0.1° |
| C03 | C05 | C06 | H9 | 178.2° | 180.0° |
| C06 | C05 | C03 | C02 | 1.5° | 0.1° |
| C05 | C06 | C07 | H9 | 180.0° | 179.8° |
| C05 | C06 | C07 | C24 | 0.6° | 0.4° |
| C05 | C06 | C07 | N08 | 179.7° | 180.0° |
| C03 | C02 | CL01 | C24 | 179.5° | 179.9° |
| C03 | C02 | C24 | C07 | 1.1° | 0.2° |
| C03 | C02 | C24 | H7 | 178.9° | 179.9° |
| C02 | C03 | C05 | H8 | 178.5° | 180.0° |
| C06 | C07 | C24 | C02 | 0.8° | 0.4° |
| C06 | C07 | C24 | N08 | 179.7° | 179.5° |
| C06 | C07 | N08 | C09 | 160.6° | 174.3° |
| C06 | C07 | C24 | H7 | 179.2° | 179.8° |
| C07 | C06 | C05 | H8 | 178.3° | 179.7° |
| C06 | C07 | N08 | H10 | 19.4° | 5.8° |
| C15 | C14 | C13 | H13 | 120.6° | 119.8° |
| C15 | C14 | C13 | H14 | 120.6° | 119.8° |
| C14 | C15 | C10 | H3 | 120.9° | 120.3° |
| C14 | C15 | C10 | H4 | 120.9° | 120.3° |
| C15 | C14 | C13 | C12 | 56.0° | 70.1° |
| C14 | C15 | C10 | C09 | 176.9° | 162.6° |
| C14 | C15 | C10 | C11 | 2.2° | 17.8° |
| C15 | C14 | C13 | H1 | 63.9° | 170.3° |
| C15 | C14 | C13 | H2 | 175.9° | 49.7° |
| C14 | C15 | H3 | H4 | 117.3° | 119.5° |
| C15 | C14 | H13 | H14 | 118.0° | 120.5° |
| C13 | C14 | C15 | C10 | 26.0° | 50.9° |
| C14 | C13 | C12 | H1 | 119.9° | 119.7° |
| C14 | C13 | C12 | H2 | 119.9° | 119.9° |
| C14 | C13 | C12 | C11 | 58.2° | 51.7° |
| C14 | C13 | H1 | H2 | 120.2° | 120.7° |
| C13 | C14 | C15 | H3 | 146.9° | 69.3° |
| C13 | C14 | C15 | H4 | 94.9° | 171.2° |
| C14 | C13 | C12 | H11 | 178.4° | 172.0° |
| C14 | C13 | C12 | H12 | 62.0° | 68.6° |
| C13 | C14 | H13 | H14 | 118.0° | 120.5° |
| C15 | C10 | C09 | N08 | 0.7° | 0.7° |
| C15 | C10 | C09 | C11 | 179.1° | 179.6° |
| C15 | C10 | C11 | C12 | 1.2° | 1.2° |
| C15 | C10 | C09 | C23 | 179.8° | 179.3° |
| C15 | C10 | C11 | N16 | 179.6° | 179.1° |
| C10 | C15 | H3 | H4 | 117.3° | 119.4° |
| C10 | C15 | C14 | H13 | 146.6° | 68.8° |
| C10 | C15 | C14 | H14 | 94.7° | 170.7° |
| CL01 | C02 | C24 | C07 | 179.5° | 179.7° |
| CL01 | C02 | C24 | H7 | 0.5° | 0.0° |
| C02 | C24 | C07 | H7 | 180.0° | 179.7° |
| C02 | C24 | C07 | N08 | 178.9° | 180.0° |
| C24 | C07 | N08 | C09 | 19.1° | 6.2° |
| C24 | C07 | C06 | H9 | 179.4° | 179.7° |
| C24 | C07 | N08 | H10 | 160.9° | 173.8° |
| C07 | N08 | C09 | H10 | 180.0° | 180.0° |
| C07 | N08 | C09 | C10 | 104.4° | 92.8° |
| C07 | N08 | C09 | C23 | 76.5° | 87.2° |
| N08 | C07 | C24 | H7 | 1.1° | 0.3° |
| N08 | C07 | C06 | H9 | 0.3° | 0.2° |
| C13 | C12 | C11 | C10 | 32.0° | 18.5° |
| C13 | C12 | C11 | H11 | 120.3° | 120.3° |
| C13 | C12 | C11 | H12 | 120.2° | 120.3° |
| C13 | C12 | C11 | N16 | 149.6° | 161.9° |
| C12 | C13 | H1 | H2 | 120.2° | 120.4° |
| C13 | C12 | H11 | H12 | 119.2° | 119.5° |
| C12 | C13 | C14 | H13 | 176.6° | 49.7° |
| C12 | C13 | C14 | H14 | 64.6° | 170.1° |
| N08 | C09 | C10 | C23 | 179.1° | 180.0° |
| N08 | C09 | C10 | C11 | 178.4° | 179.7° |
| N08 | C09 | C23 | C22 | 0.2° | 0.0° |
| N08 | C09 | C23 | C17 | 179.0° | 180.0° |
| C09 | C10 | C11 | C12 | 179.7° | 179.2° |
| C09 | C10 | C11 | N16 | 1.3° | 0.4° |
| C10 | C09 | C23 | C22 | 178.8° | 180.0° |
| C10 | C09 | C23 | C17 | 0.1° | 0.0° |
| C09 | C10 | C15 | H3 | 62.2° | 77.1° |
| C09 | C10 | C15 | H4 | 56.1° | 42.3° |
| C10 | C09 | N08 | H10 | 75.6° | 87.1° |
| C10 | C11 | C12 | N16 | 178.4° | 179.6° |
| C11 | C10 | C09 | C23 | 0.7° | 0.3° |
| C10 | C11 | N16 | C17 | 1.4° | 0.3° |
| C11 | C10 | C15 | H3 | 118.7° | 102.5° |
| C11 | C10 | C15 | H4 | 123.1° | 138.1° |
| C10 | C11 | C12 | H11 | 152.3° | 138.7° |
| C10 | C11 | C12 | H12 | 88.2° | 101.8° |
| C12 | C11 | N16 | C17 | 179.8° | 179.4° |
| C11 | C12 | C13 | H1 | 61.7° | 171.4° |
| C11 | C12 | C13 | H2 | 178.1° | 68.2° |
| C11 | C12 | H11 | H12 | 119.2° | 119.5° |
| C09 | C23 | C22 | C17 | 178.8° | 180.0° |
| C09 | C23 | C17 | N16 | 0.1° | 0.1° |
| C09 | C23 | C22 | C21 | 179.6° | 179.8° |
| C09 | C23 | C17 | C18 | 180.0° | 179.8° |
| C09 | C23 | C22 | H6 | 0.4° | 0.1° |
| C23 | C09 | N08 | H10 | 103.4° | 92.9° |
| C11 | N16 | C17 | C23 | 0.8° | 0.0° |
| C11 | N16 | C17 | C18 | 179.4° | 180.0° |
| N16 | C11 | C12 | H11 | 29.4° | 41.6° |
| N16 | C11 | C12 | H12 | 90.1° | 77.8° |
| C22 | C23 | C17 | N16 | 178.9° | 179.9° |
| C23 | C22 | C21 | H6 | 180.0° | 180.0° |
| C22 | C23 | C17 | C18 | 1.3° | 0.2° |
| C23 | C22 | C21 | C19 | 1.0° | 0.0° |
| C23 | C22 | C21 | H5 | 178.9° | 180.0° |
| C23 | C17 | N16 | C18 | 179.8° | 179.9° |
| C17 | C23 | C22 | C21 | 1.7° | 0.1° |
| C23 | C17 | C18 | C19 | 0.3° | 0.1° |
| C17 | C23 | C22 | H6 | 178.4° | 179.9° |
| C23 | C17 | C18 | H15 | 179.7° | 179.9° |
| N16 | C17 | C18 | C19 | 179.9° | 180.0° |
| N16 | C17 | C18 | H15 | 0.1° | 0.0° |
| C22 | C21 | C19 | H5 | 180.0° | 180.0° |
| C22 | C21 | C19 | C18 | 0.1° | 0.0° |
| C22 | C21 | C19 | CL20 | 179.6° | 180.0° |
| C17 | C18 | C19 | C21 | 0.3° | 0.0° |
| C17 | C18 | C19 | H15 | 180.0° | 180.0° |
| C17 | C18 | C19 | CL20 | 180.0° | 180.0° |
| C21 | C19 | C18 | CL20 | 179.7° | 179.9° |
| C19 | C21 | C22 | H6 | 179.0° | 180.0° |
| C21 | C19 | C18 | H15 | 179.7° | 180.0° |
| C18 | C19 | C21 | H5 | 179.9° | 179.9° |
| CL20 | C19 | C21 | H5 | 0.4° | 0.0° |
| CL20 | C19 | C18 | H15 | 0.0° | 0.0° |
| H1 | C13 | C12 | H11 | 58.5° | 68.3° |
| H1 | C13 | C12 | H12 | 178.0° | 51.1° |
| H1 | C13 | C14 | H13 | 56.7° | 70.0° |
| H1 | C13 | C14 | H14 | 175.5° | 50.5° |
| H2 | C13 | C12 | H11 | 61.6° | 52.1° |
| H2 | C13 | C12 | H12 | 57.9° | 171.5° |
| H2 | C13 | C14 | H13 | 63.4° | 169.5° |
| H2 | C13 | C14 | H14 | 55.3° | 70.1° |
| H3 | C15 | C14 | H13 | 92.5° | 170.9° |
| H3 | C15 | C14 | H14 | 26.2° | 50.5° |
| H4 | C15 | C14 | H13 | 25.7° | 51.5° |
| H4 | C15 | C14 | H14 | 144.5° | 69.0° |
| H5 | C21 | C22 | H6 | 1.0° | 0.0° |
| H8 | C05 | C06 | H9 | 1.8° | 0.1° |
