6UH
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O1 | C10 | doub | 1.22Å | 1.23Å | |
| F | C18 | sing | 1.40Å | 1.31Å | |
| C | C1 | sing | 1.51Å | 1.48Å | |
| O | C1 | sing | 1.34Å | 1.35Å | Aromatic |
| O | N | sing | 1.21Å | 1.43Å | Aromatic |
| C1 | C9 | doub | 1.36Å | 1.38Å | Aromatic |
| N | C2 | doub | 1.31Å | 1.31Å | Aromatic |
| C10 | N1 | sing | 1.35Å | 1.38Å | |
| C10 | N2 | sing | 1.35Å | 1.34Å | |
| C4 | C5 | doub | 1.38Å | 1.39Å | Aromatic |
| C4 | C3 | sing | 1.39Å | 1.39Å | Aromatic |
| C9 | C2 | sing | 1.47Å | 1.44Å | Aromatic |
| C9 | N1 | sing | 1.41Å | 1.39Å | |
| C2 | C3 | sing | 1.48Å | 1.48Å | |
| C11 | N2 | sing | 1.46Å | 1.45Å | |
| C11 | C12 | sing | 1.51Å | 1.51Å | |
| C18 | F2 | sing | 1.40Å | 1.31Å | |
| C18 | F1 | sing | 1.40Å | 1.33Å | |
| C18 | C17 | sing | 1.51Å | 1.51Å | |
| C5 | C6 | sing | 1.38Å | 1.39Å | Aromatic |
| C3 | C8 | doub | 1.39Å | 1.40Å | Aromatic |
| C17 | C12 | doub | 1.38Å | 1.41Å | Aromatic |
| C17 | C16 | sing | 1.38Å | 1.39Å | Aromatic |
| C12 | C13 | sing | 1.38Å | 1.39Å | Aromatic |
| C6 | C7 | doub | 1.38Å | 1.38Å | Aromatic |
| C8 | C7 | sing | 1.38Å | 1.39Å | Aromatic |
| C16 | C15 | doub | 1.38Å | 1.39Å | Aromatic |
| C13 | C14 | doub | 1.38Å | 1.39Å | Aromatic |
| C15 | C14 | sing | 1.38Å | 1.38Å | Aromatic |
| C5 | H1 | sing | 1.08Å | 1.08Å | |
| C7 | H2 | sing | 1.08Å | 1.08Å | |
| C11 | H3 | sing | 1.09Å | 1.10Å | |
| C11 | H4 | sing | 1.09Å | 1.10Å | |
| C13 | H5 | sing | 1.08Å | 1.08Å | |
| C15 | H6 | sing | 1.08Å | 1.08Å | |
| C16 | H7 | sing | 1.08Å | 1.08Å | |
| C14 | H8 | sing | 1.08Å | 1.08Å | |
| N2 | H9 | sing | 0.97Å | 1.00Å | |
| N1 | H10 | sing | 0.97Å | 1.00Å | |
| C | H11 | sing | 1.09Å | 1.10Å | |
| C | H12 | sing | 1.09Å | 1.10Å | |
| C | H13 | sing | 1.09Å | 1.10Å | |
| C8 | H14 | sing | 1.08Å | 1.08Å | |
| C6 | H15 | sing | 1.08Å | 1.08Å | |
| C4 | H16 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C10 | N1 | 121.7° | 120.0° |
| O1 | C10 | N2 | 123.2° | 120.0° |
| F | C18 | F2 | 103.1° | 109.5° |
| F | C18 | F1 | 108.1° | 109.4° |
| F | C18 | C17 | 112.8° | 109.5° |
| C | C1 | O | 116.3° | 126.6° |
| C | C1 | C9 | 133.9° | 126.6° |
| C1 | C | H11 | 109.5° | 109.4° |
| C1 | C | H12 | 109.5° | 109.4° |
| C1 | C | H13 | 109.4° | 109.5° |
| C1 | O | N | 108.6° | 113.0° |
| O | C1 | C9 | 109.8° | 106.8° |
| O | N | C2 | 105.8° | 111.7° |
| C1 | C9 | C2 | 104.1° | 103.2° |
| C1 | C9 | N1 | 134.9° | 128.4° |
| N | C2 | C9 | 111.6° | 105.3° |
| N | C2 | C3 | 120.1° | 127.4° |
| N1 | C10 | N2 | 115.1° | 120.0° |
| C10 | N1 | C9 | 125.2° | 120.0° |
| C10 | N1 | H10 | 117.4° | 120.0° |
| C10 | N2 | C11 | 122.4° | 120.0° |
| C10 | N2 | H9 | 118.8° | 119.9° |
| C5 | C4 | C3 | 120.4° | 119.9° |
| C4 | C5 | C6 | 120.2° | 120.1° |
| C4 | C5 | H1 | 119.9° | 119.9° |
| C5 | C4 | H16 | 119.8° | 120.1° |
| C4 | C3 | C2 | 121.0° | 120.1° |
| C4 | C3 | C8 | 118.9° | 119.7° |
| C3 | C4 | H16 | 119.8° | 120.0° |
| C2 | C9 | N1 | 121.0° | 128.4° |
| C9 | C2 | C3 | 128.2° | 127.4° |
| C9 | N1 | H10 | 117.4° | 120.0° |
| C2 | C3 | C8 | 120.1° | 120.1° |
| N2 | C11 | C12 | 113.2° | 109.5° |
| N2 | C11 | H3 | 108.5° | 109.5° |
| N2 | C11 | H4 | 108.5° | 109.5° |
| C11 | N2 | H9 | 118.8° | 120.0° |
| C11 | C12 | C17 | 120.6° | 120.0° |
| C11 | C12 | C13 | 120.3° | 120.0° |
| C12 | C11 | H3 | 108.6° | 109.4° |
| C12 | C11 | H4 | 108.5° | 109.4° |
| F2 | C18 | F1 | 105.7° | 109.5° |
| F2 | C18 | C17 | 113.5° | 109.5° |
| F1 | C18 | C17 | 112.9° | 109.5° |
| C18 | C17 | C12 | 122.8° | 120.0° |
| C18 | C17 | C16 | 117.9° | 120.0° |
| C5 | C6 | C7 | 119.8° | 120.3° |
| C6 | C5 | H1 | 119.9° | 120.0° |
| C5 | C6 | H15 | 120.1° | 119.9° |
| C3 | C8 | C7 | 120.6° | 119.9° |
| C3 | C8 | H14 | 119.7° | 120.0° |
| C12 | C17 | C16 | 119.3° | 120.0° |
| C17 | C12 | C13 | 119.0° | 120.0° |
| C17 | C16 | C15 | 120.7° | 120.0° |
| C17 | C16 | H7 | 119.7° | 120.0° |
| C12 | C13 | C14 | 120.9° | 120.0° |
| C12 | C13 | H5 | 119.5° | 120.0° |
| C6 | C7 | C8 | 120.1° | 120.1° |
| C6 | C7 | H2 | 120.0° | 120.0° |
| C7 | C6 | H15 | 120.1° | 119.8° |
| C8 | C7 | H2 | 119.9° | 120.0° |
| C7 | C8 | H14 | 119.7° | 120.1° |
| C16 | C15 | C14 | 120.0° | 119.9° |
| C16 | C15 | H6 | 120.0° | 120.0° |
| C15 | C16 | H7 | 119.6° | 120.0° |
| C13 | C14 | C15 | 120.0° | 120.0° |
| C14 | C13 | H5 | 119.5° | 120.0° |
| C13 | C14 | H8 | 120.0° | 120.0° |
| C14 | C15 | H6 | 120.0° | 120.0° |
| C15 | C14 | H8 | 120.0° | 119.9° |
| H3 | C11 | H4 | 109.5° | 109.5° |
| H11 | C | H12 | 109.4° | 109.5° |
| H11 | C | H13 | 109.5° | 109.5° |
| H12 | C | H13 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C10 | N1 | N2 | 179.7° | 180.0° |
| O1 | C10 | N1 | C9 | 0.5° | 5.4° |
| O1 | C10 | N2 | C11 | 9.7° | 0.0° |
| O1 | C10 | N2 | H9 | 170.3° | 180.0° |
| O1 | C10 | N1 | H10 | 179.5° | 174.6° |
| F | C18 | F2 | F1 | 113.3° | 120.0° |
| F | C18 | F2 | C17 | 122.3° | 120.0° |
| F | C18 | F1 | C17 | 125.5° | 120.0° |
| F | C18 | C17 | C12 | 57.8° | 60.0° |
| F | C18 | C17 | C16 | 123.1° | 120.0° |
| C | C1 | O | C9 | 179.4° | 180.0° |
| C | C1 | O | N | 179.0° | 179.7° |
| C | C1 | C9 | C2 | 179.1° | 180.0° |
| C | C1 | C9 | N1 | 1.5° | 0.0° |
| C1 | C | H11 | H12 | 120.0° | 119.9° |
| C1 | C | H11 | H13 | 120.0° | 120.1° |
| C1 | C | H12 | H13 | 120.0° | 120.1° |
| C1 | O | N | C2 | 0.6° | 0.5° |
| O | C1 | C9 | C2 | 0.1° | 0.0° |
| O | C1 | C9 | N1 | 179.3° | 180.0° |
| O | C1 | C | H11 | 0.0° | 86.9° |
| O | C1 | C | H12 | 120.0° | 33.0° |
| O | C1 | C | H13 | 120.0° | 153.1° |
| N | O | C1 | C9 | 0.4° | 0.3° |
| O | N | C2 | C9 | 0.5° | 0.4° |
| O | N | C2 | C3 | 176.3° | 179.8° |
| C1 | C9 | C2 | N | 0.3° | 0.2° |
| C1 | C9 | N1 | C10 | 109.9° | 75.8° |
| C1 | C9 | C2 | N1 | 179.5° | 180.0° |
| C1 | C9 | C2 | C3 | 176.3° | 180.0° |
| C1 | C9 | N1 | H10 | 70.1° | 104.2° |
| C9 | C1 | C | H11 | 179.2° | 93.1° |
| C9 | C1 | C | H12 | 60.8° | 147.0° |
| C9 | C1 | C | H13 | 59.2° | 26.9° |
| N | C2 | C3 | C4 | 45.8° | 144.4° |
| N | C2 | C9 | C3 | 176.6° | 179.8° |
| N | C2 | C9 | N1 | 179.8° | 179.8° |
| N | C2 | C3 | C8 | 133.0° | 35.3° |
| C10 | N1 | C9 | C2 | 70.8° | 104.2° |
| C10 | N1 | C9 | H10 | 180.0° | 180.0° |
| N1 | C10 | N2 | C11 | 170.0° | 180.0° |
| N1 | C10 | N2 | H9 | 10.0° | 0.1° |
| N2 | C10 | N1 | C9 | 179.8° | 174.6° |
| C10 | N2 | C11 | H9 | 180.0° | 179.9° |
| C10 | N2 | C11 | C12 | 112.1° | 180.0° |
| C10 | N2 | C11 | H3 | 8.5° | 60.1° |
| C10 | N2 | C11 | H4 | 127.4° | 60.0° |
| N2 | C10 | N1 | H10 | 0.2° | 5.4° |
| C5 | C4 | C3 | H16 | 180.0° | 179.9° |
| C5 | C4 | C3 | C2 | 178.7° | 180.0° |
| C4 | C5 | C6 | H1 | 180.0° | 179.7° |
| C5 | C4 | C3 | C8 | 0.1° | 0.3° |
| C4 | C5 | C6 | C7 | 0.4° | 0.3° |
| C4 | C5 | C6 | H15 | 179.6° | 179.7° |
| C4 | C3 | C2 | C9 | 137.8° | 35.3° |
| C4 | C3 | C2 | C8 | 178.8° | 179.7° |
| C3 | C4 | C5 | C6 | 0.4° | 0.0° |
| C4 | C3 | C8 | C7 | 0.6° | 0.3° |
| C3 | C4 | C5 | H1 | 179.6° | 179.8° |
| C4 | C3 | C8 | H14 | 179.4° | 179.7° |
| C9 | C2 | C3 | C8 | 43.3° | 145.0° |
| C2 | C9 | N1 | H10 | 109.2° | 75.8° |
| N1 | C9 | C2 | C3 | 3.2° | 0.0° |
| C2 | C3 | C8 | C7 | 178.3° | 180.0° |
| C2 | C3 | C8 | H14 | 1.8° | 0.0° |
| C2 | C3 | C4 | H16 | 1.3° | 0.1° |
| N2 | C11 | C12 | H3 | 120.5° | 120.0° |
| N2 | C11 | C12 | H4 | 120.5° | 120.0° |
| N2 | C11 | C12 | C17 | 162.4° | 79.7° |
| N2 | C11 | C12 | C13 | 21.3° | 100.0° |
| N2 | C11 | H3 | H4 | 118.3° | 120.1° |
| C11 | C12 | C17 | C18 | 6.3° | 0.0° |
| C11 | C12 | C17 | C13 | 176.4° | 179.7° |
| C11 | C12 | C17 | C16 | 174.6° | 180.0° |
| C11 | C12 | C13 | C14 | 175.2° | 180.0° |
| C12 | C11 | H3 | H4 | 118.3° | 119.9° |
| C11 | C12 | C13 | H5 | 4.9° | 0.0° |
| C12 | C11 | N2 | H9 | 67.9° | 0.0° |
| F2 | C18 | F1 | C17 | 124.7° | 120.0° |
| F2 | C18 | C17 | C12 | 174.6° | 180.0° |
| F2 | C18 | C17 | C16 | 6.4° | 0.0° |
| F1 | C18 | C17 | C12 | 65.1° | 60.0° |
| F1 | C18 | C17 | C16 | 114.0° | 120.0° |
| C18 | C17 | C12 | C16 | 179.1° | 180.0° |
| C18 | C17 | C12 | C13 | 177.3° | 179.7° |
| C18 | C17 | C16 | C15 | 178.1° | 180.0° |
| C18 | C17 | C16 | H7 | 1.9° | 0.1° |
| C5 | C6 | C7 | H15 | 180.0° | 180.0° |
| C5 | C6 | C7 | C8 | 0.1° | 0.3° |
| C5 | C6 | C7 | H2 | 179.9° | 179.8° |
| C6 | C5 | C4 | H16 | 179.6° | 179.9° |
| C3 | C8 | C7 | C6 | 0.6° | 0.0° |
| C3 | C8 | C7 | H14 | 180.0° | 179.9° |
| C3 | C8 | C7 | H2 | 179.4° | 179.9° |
| C8 | C3 | C4 | H16 | 179.9° | 179.6° |
| C12 | C17 | C16 | C15 | 1.0° | NaN° |
| C17 | C12 | C13 | C14 | 1.3° | 0.3° |
| C17 | C12 | C11 | H3 | 77.1° | 160.3° |
| C17 | C12 | C11 | H4 | 41.9° | 40.3° |
| C17 | C12 | C13 | H5 | 178.7° | 179.7° |
| C12 | C17 | C16 | H7 | 179.0° | 180.0° |
| C16 | C17 | C12 | C13 | 1.8° | 0.3° |
| C17 | C16 | C15 | H7 | 180.0° | 180.0° |
| C17 | C16 | C15 | C14 | 0.4° | 0.3° |
| C17 | C16 | C15 | H6 | 179.6° | 180.0° |
| C12 | C13 | C14 | H5 | 180.0° | 180.0° |
| C12 | C13 | C14 | C15 | 0.1° | 0.0° |
| C13 | C12 | C11 | H3 | 99.3° | 20.0° |
| C13 | C12 | C11 | H4 | 141.8° | 140.0° |
| C12 | C13 | C14 | H8 | 179.9° | 180.0° |
| C6 | C7 | C8 | H2 | 180.0° | 180.0° |
| C7 | C6 | C5 | H1 | 179.6° | 180.0° |
| C6 | C7 | C8 | H14 | 179.4° | 180.0° |
| C8 | C7 | C6 | H15 | 179.9° | 179.7° |
| C16 | C15 | C14 | C13 | 0.9° | 0.3° |
| C16 | C15 | C14 | H6 | 180.0° | 179.7° |
| C16 | C15 | C14 | H8 | 179.0° | 179.8° |
| C13 | C14 | C15 | H8 | 180.0° | 179.9° |
| C13 | C14 | C15 | H6 | 179.1° | 180.0° |
| C15 | C14 | C13 | H5 | 179.9° | 180.0° |
| C14 | C15 | C16 | H7 | 179.6° | 179.7° |
| H1 | C5 | C6 | H15 | 0.4° | 0.0° |
| H1 | C5 | C4 | H16 | 0.4° | 0.3° |
| H2 | C7 | C8 | H14 | 0.6° | 0.0° |
| H2 | C7 | C6 | H15 | 0.1° | 0.2° |
| H3 | C11 | N2 | H9 | 171.5° | 120.0° |
| H4 | C11 | N2 | H9 | 52.6° | 119.9° |
| H5 | C13 | C14 | H8 | 0.1° | 0.1° |
| H6 | C15 | C16 | H7 | 0.4° | 0.1° |
| H6 | C15 | C14 | H8 | 1.0° | 0.1° |
| H11 | C | H12 | H13 | 120.0° | 120.0° |
