U7X
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F1 | C21 | sing | 1.40Å | 1.34Å | |
| C21 | F | sing | 1.40Å | 1.36Å | |
| C21 | O1 | sing | 1.43Å | 1.36Å | |
| O1 | C20 | sing | 1.36Å | 1.38Å | |
| C14 | C13 | sing | 1.53Å | 1.48Å | |
| C14 | C12 | sing | 1.53Å | 1.50Å | |
| C20 | C19 | doub | 1.39Å | 1.38Å | Aromatic |
| C20 | C22 | sing | 1.39Å | 1.39Å | Aromatic |
| C19 | C18 | sing | 1.38Å | 1.38Å | Aromatic |
| C13 | C12 | sing | 1.53Å | 1.51Å | |
| C22 | C23 | doub | 1.38Å | 1.38Å | Aromatic |
| C12 | C11 | sing | 1.51Å | 1.50Å | |
| C18 | C17 | doub | 1.39Å | 1.39Å | Aromatic |
| C23 | C17 | sing | 1.39Å | 1.39Å | Aromatic |
| C17 | N4 | sing | 1.40Å | 1.44Å | |
| C11 | N3 | sing | 1.35Å | 1.33Å | Aromatic |
| C11 | C15 | doub | 1.36Å | 1.43Å | Aromatic |
| N3 | N2 | sing | 1.29Å | 1.36Å | Aromatic |
| C15 | N4 | sing | 1.39Å | 1.38Å | |
| C15 | C10 | sing | 1.42Å | 1.39Å | Aromatic |
| N4 | C16 | sing | 1.35Å | 1.42Å | |
| N2 | C10 | doub | 1.32Å | 1.35Å | Aromatic |
| O | C16 | doub | 1.22Å | 1.23Å | |
| C16 | C8 | sing | 1.47Å | 1.46Å | |
| C10 | C9 | sing | 1.46Å | 1.42Å | |
| C9 | C8 | doub | 1.37Å | 1.35Å | |
| C8 | C4 | sing | 1.48Å | 1.49Å | |
| C5 | C4 | sing | 1.41Å | 1.40Å | Aromatic |
| C5 | C6 | doub | 1.35Å | 1.39Å | Aromatic |
| C4 | C3 | doub | 1.38Å | 1.39Å | Aromatic |
| C6 | C7 | sing | 1.41Å | 1.40Å | Aromatic |
| C3 | C2 | sing | 1.41Å | 1.40Å | Aromatic |
| C7 | C2 | sing | 1.47Å | 1.42Å | Aromatic |
| C7 | N1 | doub | 1.32Å | 1.38Å | Aromatic |
| C2 | C1 | doub | 1.38Å | 1.44Å | Aromatic |
| N1 | N | sing | 1.40Å | 1.37Å | Aromatic |
| C1 | N | sing | 1.34Å | 1.34Å | Aromatic |
| N | C | sing | 1.47Å | 1.46Å | |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C3 | H2 | sing | 1.08Å | 1.08Å | |
| C9 | H3 | sing | 1.08Å | 1.08Å | |
| C12 | H4 | sing | 1.09Å | 1.10Å | |
| C13 | H5 | sing | 1.09Å | 1.10Å | |
| C13 | H6 | sing | 1.09Å | 1.10Å | |
| C14 | H7 | sing | 1.09Å | 1.10Å | |
| C14 | H8 | sing | 1.09Å | 1.10Å | |
| C19 | H9 | sing | 1.08Å | 1.08Å | |
| C21 | H10 | sing | 1.09Å | 1.10Å | |
| C22 | H11 | sing | 1.08Å | 1.08Å | |
| C18 | H12 | sing | 1.08Å | 1.08Å | |
| C23 | H13 | sing | 1.08Å | 1.08Å | |
| N3 | H14 | sing | 0.97Å | 1.00Å | |
| C5 | H15 | sing | 1.08Å | 1.08Å | |
| C6 | H16 | sing | 1.08Å | 1.08Å | |
| C | H17 | sing | 1.09Å | 1.10Å | |
| C | H18 | sing | 1.09Å | 1.10Å | |
| C | H19 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F1 | C21 | F | 106.7° | 109.5° |
| F1 | C21 | O1 | 108.4° | 109.5° |
| F1 | C21 | H10 | 110.5° | 109.5° |
| F | C21 | O1 | 111.0° | 109.5° |
| F | C21 | H10 | 110.1° | 109.4° |
| C21 | O1 | C20 | 119.8° | 117.0° |
| O1 | C21 | H10 | 110.1° | 109.5° |
| O1 | C20 | C19 | 115.3° | 120.0° |
| O1 | C20 | C22 | 124.2° | 120.0° |
| C13 | C14 | C12 | 60.6° | 60.0° |
| C14 | C13 | C12 | 60.4° | 60.0° |
| C14 | C13 | H5 | 119.9° | 117.6° |
| C14 | C13 | H6 | 119.9° | 117.5° |
| C13 | C14 | H7 | 119.9° | 117.5° |
| C13 | C14 | H8 | 119.9° | 117.5° |
| C14 | C12 | C13 | 59.0° | 60.0° |
| C14 | C12 | C11 | 119.2° | 117.5° |
| C14 | C12 | H4 | 116.2° | 117.5° |
| C12 | C14 | H7 | 119.9° | 117.5° |
| C12 | C14 | H8 | 119.9° | 117.5° |
| C19 | C20 | C22 | 120.4° | 120.0° |
| C20 | C19 | C18 | 119.7° | 120.0° |
| C20 | C19 | H9 | 120.1° | 119.9° |
| C20 | C22 | C23 | 119.7° | 120.0° |
| C20 | C22 | H11 | 120.1° | 119.9° |
| C19 | C18 | C17 | 120.1° | 120.0° |
| C18 | C19 | H9 | 120.1° | 120.0° |
| C19 | C18 | H12 | 119.9° | 120.0° |
| C13 | C12 | C11 | 117.6° | 117.5° |
| C13 | C12 | H4 | 116.2° | 117.5° |
| C12 | C13 | H5 | 119.9° | 117.6° |
| C12 | C13 | H6 | 119.9° | 117.5° |
| C22 | C23 | C17 | 120.1° | 119.9° |
| C23 | C22 | H11 | 120.2° | 120.0° |
| C22 | C23 | H13 | 120.0° | 120.0° |
| C12 | C11 | N3 | 122.4° | 126.5° |
| C12 | C11 | C15 | 128.6° | 126.4° |
| C11 | C12 | H4 | 116.4° | 115.5° |
| C18 | C17 | C23 | 120.0° | 120.0° |
| C18 | C17 | N4 | 119.4° | 120.0° |
| C17 | C18 | H12 | 120.0° | 120.0° |
| C23 | C17 | N4 | 120.7° | 120.0° |
| C17 | C23 | H13 | 120.0° | 120.0° |
| C17 | N4 | C15 | 121.4° | 119.5° |
| C17 | N4 | C16 | 114.7° | 119.5° |
| N3 | C11 | C15 | 109.0° | 107.1° |
| C11 | N3 | N2 | 107.0° | 110.5° |
| C11 | N3 | H14 | 126.5° | 124.7° |
| C11 | C15 | N4 | 136.1° | 134.2° |
| C11 | C15 | C10 | 105.9° | 105.4° |
| N3 | N2 | C10 | 112.1° | 110.1° |
| N2 | N3 | H14 | 126.5° | 124.8° |
| N4 | C15 | C10 | 118.0° | 120.3° |
| C15 | N4 | C16 | 123.9° | 121.0° |
| C15 | C10 | N2 | 106.0° | 106.9° |
| C15 | C10 | C9 | 121.2° | 119.2° |
| N4 | C16 | O | 119.8° | 119.5° |
| N4 | C16 | C8 | 115.5° | 120.9° |
| N2 | C10 | C9 | 132.8° | 133.9° |
| O | C16 | C8 | 124.7° | 119.5° |
| C16 | C8 | C9 | 121.4° | 119.8° |
| C16 | C8 | C4 | 118.5° | 120.1° |
| C10 | C9 | C8 | 120.1° | 118.7° |
| C10 | C9 | H3 | 120.0° | 120.7° |
| C9 | C8 | C4 | 120.0° | 120.1° |
| C8 | C9 | H3 | 120.0° | 120.6° |
| C8 | C4 | C5 | 119.0° | 119.4° |
| C8 | C4 | C3 | 121.3° | 119.3° |
| C4 | C5 | C6 | 121.6° | 121.7° |
| C5 | C4 | C3 | 119.7° | 121.3° |
| C4 | C5 | H15 | 119.2° | 119.1° |
| C5 | C6 | C7 | 118.6° | 119.9° |
| C6 | C5 | H15 | 119.2° | 119.1° |
| C5 | C6 | H16 | 120.7° | 120.1° |
| C4 | C3 | C2 | 120.0° | 119.3° |
| C4 | C3 | H2 | 120.0° | 120.3° |
| C6 | C7 | C2 | 120.6° | 118.8° |
| C6 | C7 | N1 | 127.7° | 134.4° |
| C7 | C6 | H16 | 120.7° | 120.0° |
| C3 | C2 | C7 | 119.5° | 118.9° |
| C3 | C2 | C1 | 136.0° | 134.6° |
| C2 | C3 | H2 | 120.0° | 120.3° |
| C2 | C7 | N1 | 111.7° | 106.7° |
| C7 | C2 | C1 | 104.5° | 106.4° |
| C7 | N1 | N | 102.8° | 109.0° |
| C2 | C1 | N | 105.1° | 107.9° |
| C2 | C1 | H1 | 127.4° | 126.1° |
| N1 | N | C1 | 115.9° | 109.9° |
| N1 | N | C | 120.1° | 125.0° |
| C1 | N | C | 124.1° | 125.1° |
| N | C1 | H1 | 127.4° | 126.0° |
| N | C | H17 | 109.5° | 109.4° |
| N | C | H18 | 109.5° | 109.5° |
| N | C | H19 | 109.5° | 109.5° |
| H5 | C13 | H6 | 109.5° | 115.5° |
| H7 | C14 | H8 | 109.4° | 115.5° |
| H17 | C | H18 | 109.5° | 109.5° |
| H17 | C | H19 | 109.5° | 109.4° |
| H18 | C | H19 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F1 | C21 | F | O1 | 117.9° | 120.0° |
| F1 | C21 | F | H10 | 119.9° | 120.0° |
| F1 | C21 | O1 | H10 | 120.9° | 120.0° |
| F1 | C21 | O1 | C20 | 48.9° | 60.0° |
| F | C21 | O1 | H10 | 122.2° | 120.0° |
| F | C21 | O1 | C20 | 67.9° | 60.0° |
| C21 | O1 | C20 | C19 | 122.9° | 180.0° |
| C21 | O1 | C20 | C22 | 57.8° | 0.0° |
| O1 | C20 | C19 | C22 | 179.3° | 180.0° |
| O1 | C20 | C19 | C18 | 179.3° | 180.0° |
| O1 | C20 | C22 | C23 | 179.1° | 180.0° |
| O1 | C20 | C19 | H9 | 0.7° | 0.2° |
| C20 | O1 | C21 | H10 | 169.8° | 180.0° |
| O1 | C20 | C22 | H11 | 0.9° | 0.1° |
| C13 | C14 | C12 | H7 | 109.7° | 107.5° |
| C13 | C14 | C12 | H8 | 109.6° | 107.4° |
| C14 | C13 | C12 | H5 | 109.6° | 107.5° |
| C14 | C13 | C12 | H6 | 109.6° | 107.5° |
| C13 | C14 | C12 | C11 | 106.5° | 107.5° |
| C13 | C14 | C12 | H4 | 106.1° | 107.5° |
| C14 | C13 | H5 | H6 | 144.5° | 145.7° |
| C13 | C14 | H7 | H8 | 144.4° | 145.6° |
| C14 | C12 | C11 | H4 | 147.3° | 145.7° |
| C14 | C12 | C11 | N3 | 45.8° | 3.2° |
| C14 | C12 | C11 | C15 | 134.4° | 176.8° |
| C12 | C14 | H7 | H8 | 144.4° | 145.8° |
| C20 | C19 | C18 | H9 | 180.0° | 179.7° |
| C19 | C20 | C22 | C23 | 0.2° | 0.0° |
| C20 | C19 | C18 | C17 | 0.1° | 0.3° |
| C19 | C20 | C22 | H11 | 179.8° | 179.9° |
| C20 | C19 | C18 | H12 | 179.9° | 179.8° |
| C22 | C20 | C19 | C18 | 0.0° | 0.0° |
| C20 | C22 | C23 | H11 | 180.0° | 179.9° |
| C20 | C22 | C23 | C17 | 0.4° | 0.3° |
| C22 | C20 | C19 | H9 | 180.0° | 179.7° |
| C20 | C22 | C23 | H13 | 179.6° | 180.0° |
| C19 | C18 | C17 | H12 | 180.0° | 179.9° |
| C19 | C18 | C17 | C23 | 0.4° | 0.6° |
| C19 | C18 | C17 | N4 | 179.5° | 180.0° |
| C13 | C12 | C11 | H4 | 144.7° | 145.6° |
| C13 | C12 | C11 | N3 | 22.2° | 65.5° |
| C13 | C12 | C11 | C15 | 157.5° | 114.5° |
| C12 | C13 | H5 | H6 | 144.5° | 145.7° |
| C22 | C23 | C17 | C18 | 0.5° | 0.5° |
| C22 | C23 | C17 | H13 | 180.0° | 179.8° |
| C22 | C23 | C17 | N4 | 179.6° | 180.0° |
| C12 | C11 | N3 | C15 | 179.8° | 180.0° |
| C12 | C11 | N3 | N2 | 179.8° | 180.0° |
| C12 | C11 | C15 | N4 | 0.2° | 0.1° |
| C12 | C11 | C15 | C10 | 180.0° | 180.0° |
| C11 | C12 | C13 | H5 | 141.3° | 0.0° |
| C11 | C12 | C13 | H6 | 0.5° | 145.0° |
| C11 | C12 | C14 | H7 | 3.1° | 145.0° |
| C11 | C12 | C14 | H8 | 143.8° | 0.0° |
| C12 | C11 | N3 | H14 | 0.2° | 0.1° |
| C18 | C17 | C23 | N4 | 179.1° | 179.5° |
| C18 | C17 | N4 | C15 | 87.0° | 87.5° |
| C18 | C17 | N4 | C16 | 91.5° | 92.3° |
| C17 | C18 | C19 | H9 | 179.8° | 180.0° |
| C18 | C17 | C23 | H13 | 179.5° | 179.7° |
| C23 | C17 | N4 | C15 | 93.9° | 93.1° |
| C23 | C17 | N4 | C16 | 87.7° | 87.1° |
| C17 | C23 | C22 | H11 | 179.6° | 179.7° |
| C23 | C17 | C18 | H12 | 179.6° | 179.5° |
| C17 | N4 | C15 | C11 | 1.6° | 0.1° |
| C17 | N4 | C15 | C16 | 178.3° | 179.8° |
| C17 | N4 | C15 | C10 | 178.7° | 180.0° |
| C17 | N4 | C16 | O | 1.6° | 0.1° |
| C17 | N4 | C16 | C8 | 179.2° | 179.7° |
| N4 | C17 | C18 | H12 | 0.5° | 0.1° |
| N4 | C17 | C23 | H13 | 0.4° | 0.2° |
| C11 | N3 | N2 | H14 | 180.0° | 179.9° |
| N3 | C11 | C15 | N4 | 179.6° | 179.9° |
| N3 | C11 | C15 | C10 | 0.2° | 0.0° |
| C11 | N3 | N2 | C10 | 0.2° | 0.0° |
| N3 | C11 | C12 | H4 | 166.9° | 148.9° |
| C15 | C11 | N3 | N2 | 0.0° | 0.0° |
| C11 | C15 | N4 | C10 | 179.8° | 179.9° |
| C11 | C15 | N4 | C16 | 179.8° | 179.7° |
| C11 | C15 | C10 | N2 | 0.3° | 0.0° |
| C11 | C15 | C10 | C9 | 179.7° | 180.0° |
| C15 | C11 | C12 | H4 | 12.9° | 31.1° |
| C15 | C11 | N3 | H14 | 180.0° | 179.9° |
| N3 | N2 | C10 | C15 | 0.3° | 0.0° |
| N3 | N2 | C10 | C9 | 179.6° | 180.0° |
| N4 | C15 | C10 | N2 | 179.5° | 179.9° |
| C15 | N4 | C16 | O | 180.0° | 179.7° |
| C15 | N4 | C16 | C8 | 0.8° | 0.5° |
| N4 | C15 | C10 | C9 | 0.1° | 0.1° |
| C10 | C15 | N4 | C16 | 0.4° | 0.2° |
| C15 | C10 | N2 | C9 | 179.4° | 180.0° |
| C15 | C10 | C9 | C8 | 0.1° | 0.0° |
| C15 | C10 | C9 | H3 | 179.9° | 180.0° |
| N4 | C16 | O | C8 | 179.1° | 179.8° |
| N4 | C16 | C8 | C9 | 0.8° | 0.5° |
| N4 | C16 | C8 | C4 | 179.0° | 179.8° |
| N2 | C10 | C9 | C8 | 179.4° | 180.0° |
| N2 | C10 | C9 | H3 | 0.6° | 0.0° |
| C10 | N2 | N3 | H14 | 179.8° | 179.9° |
| O | C16 | C8 | C9 | 179.9° | 179.7° |
| O | C16 | C8 | C4 | 1.8° | 0.0° |
| C16 | C8 | C9 | C10 | 0.3° | 0.3° |
| C16 | C8 | C9 | C4 | 178.2° | 179.7° |
| C16 | C8 | C4 | C5 | 50.7° | 64.7° |
| C16 | C8 | C4 | C3 | 129.9° | 115.3° |
| C16 | C8 | C9 | H3 | 179.7° | 179.7° |
| C10 | C9 | C8 | H3 | 180.0° | 180.0° |
| C10 | C9 | C8 | C4 | 178.6° | 179.9° |
| C9 | C8 | C4 | C5 | 127.6° | 115.0° |
| C9 | C8 | C4 | C3 | 51.8° | 65.0° |
| C8 | C4 | C5 | C3 | 179.4° | 180.0° |
| C8 | C4 | C5 | C6 | 179.5° | 179.9° |
| C8 | C4 | C3 | C2 | 179.5° | 180.0° |
| C8 | C4 | C3 | H2 | 0.4° | 0.0° |
| C4 | C8 | C9 | H3 | 1.4° | 0.0° |
| C8 | C4 | C5 | H15 | 0.5° | 0.0° |
| C4 | C5 | C6 | H15 | 180.0° | 180.0° |
| C4 | C5 | C6 | C7 | 0.1° | 0.1° |
| C5 | C4 | C3 | C2 | 0.2° | 0.0° |
| C5 | C4 | C3 | H2 | 179.8° | 180.0° |
| C4 | C5 | C6 | H16 | 179.9° | 180.0° |
| C6 | C5 | C4 | C3 | 0.1° | 0.0° |
| C5 | C6 | C7 | H16 | 180.0° | 179.9° |
| C5 | C6 | C7 | C2 | 0.3° | 0.1° |
| C5 | C6 | C7 | N1 | 180.0° | 180.0° |
| C4 | C3 | C2 | H2 | 180.0° | 180.0° |
| C4 | C3 | C2 | C7 | 0.0° | 0.0° |
| C4 | C3 | C2 | C1 | 179.9° | 179.9° |
| C3 | C4 | C5 | H15 | 179.9° | 180.0° |
| C6 | C7 | C2 | C3 | 0.2° | 0.0° |
| C6 | C7 | C2 | N1 | 179.8° | 180.0° |
| C6 | C7 | C2 | C1 | 179.8° | 180.0° |
| C6 | C7 | N1 | N | 179.9° | 180.0° |
| C7 | C6 | C5 | H15 | 179.9° | 179.9° |
| C3 | C2 | C7 | C1 | 180.0° | 180.0° |
| C3 | C2 | C7 | N1 | 180.0° | 180.0° |
| C3 | C2 | C1 | N | 179.9° | 180.0° |
| C3 | C2 | C1 | H1 | 0.1° | 0.2° |
| C2 | C7 | N1 | N | 0.1° | 0.0° |
| C7 | C2 | C1 | N | 0.1° | 0.1° |
| C7 | C2 | C1 | H1 | 179.9° | 179.8° |
| C7 | C2 | C3 | H2 | 180.0° | 180.0° |
| C2 | C7 | C6 | H16 | 179.7° | 180.0° |
| N1 | C7 | C2 | C1 | 0.0° | 0.0° |
| C7 | N1 | N | C1 | 0.2° | 0.0° |
| C7 | N1 | N | C | 180.0° | 179.6° |
| N1 | C7 | C6 | H16 | 0.0° | 0.1° |
| C2 | C1 | N | N1 | 0.2° | 0.1° |
| C2 | C1 | N | H1 | 180.0° | 179.8° |
| C2 | C1 | N | C | 180.0° | 179.7° |
| C1 | C2 | C3 | H2 | 0.1° | 0.1° |
| N1 | N | C1 | C | 179.8° | 179.6° |
| N1 | N | C1 | H1 | 179.8° | 179.8° |
| N1 | N | C | H17 | 0.0° | 90.4° |
| N1 | N | C | H18 | 120.0° | 29.6° |
| N1 | N | C | H19 | 120.0° | 149.7° |
| C1 | N | C | H17 | 179.8° | 90.0° |
| C1 | N | C | H18 | 60.2° | 150.0° |
| C1 | N | C | H19 | 59.8° | 29.9° |
| C | N | C1 | H1 | 0.1° | 0.2° |
| N | C | H17 | H18 | 120.0° | 120.0° |
| N | C | H17 | H19 | 120.0° | 120.0° |
| N | C | H18 | H19 | 120.0° | 120.1° |
| H4 | C12 | C13 | H5 | 3.4° | 144.9° |
| H4 | C12 | C13 | H6 | 144.3° | 0.0° |
| H4 | C12 | C14 | H7 | 144.2° | 0.0° |
| H4 | C12 | C14 | H8 | 3.5° | 145.1° |
| H5 | C13 | C14 | H7 | 140.8° | 144.9° |
| H5 | C13 | C14 | H8 | 0.1° | 0.0° |
| H6 | C13 | C14 | H7 | 0.0° | 0.1° |
| H6 | C13 | C14 | H8 | 140.8° | 145.0° |
| H9 | C19 | C18 | H12 | 0.2° | 0.0° |
| H11 | C22 | C23 | H13 | 0.4° | 0.1° |
| H15 | C5 | C6 | H16 | 0.1° | 0.1° |
| H17 | C | H18 | H19 | 120.0° | 120.0° |
