6UG
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F | C11 | sing | 1.35Å | 1.36Å | |
| O | C5 | doub | 1.22Å | 1.23Å | |
| C11 | C10 | doub | 1.38Å | 1.37Å | Aromatic |
| C11 | C6 | sing | 1.40Å | 1.39Å | Aromatic |
| C2 | C1 | doub | 1.38Å | 1.40Å | Aromatic |
| C2 | C3 | sing | 1.39Å | 1.39Å | Aromatic |
| C5 | C6 | sing | 1.48Å | 1.50Å | |
| C5 | N | sing | 1.35Å | 1.35Å | |
| C | C1 | sing | 1.51Å | 1.50Å | |
| C10 | C9 | sing | 1.38Å | 1.39Å | Aromatic |
| C1 | N1 | sing | 1.32Å | 1.34Å | Aromatic |
| C3 | C4 | doub | 1.39Å | 1.40Å | Aromatic |
| C6 | C7 | doub | 1.40Å | 1.40Å | Aromatic |
| N1 | C13 | doub | 1.33Å | 1.34Å | Aromatic |
| C4 | C13 | sing | 1.40Å | 1.47Å | Aromatic |
| C4 | N | sing | 1.40Å | 1.42Å | |
| C15 | C16 | doub | 1.38Å | 1.38Å | Aromatic |
| C15 | C14 | sing | 1.39Å | 1.40Å | Aromatic |
| C13 | C14 | sing | 1.48Å | 1.49Å | |
| C16 | C17 | sing | 1.39Å | 1.37Å | Aromatic |
| F2 | C12 | sing | 1.40Å | 1.33Å | |
| F3 | C12 | sing | 1.40Å | 1.31Å | |
| C9 | C12 | sing | 1.51Å | 1.50Å | |
| C9 | C8 | doub | 1.38Å | 1.39Å | Aromatic |
| C14 | C19 | doub | 1.39Å | 1.40Å | Aromatic |
| C7 | C8 | sing | 1.38Å | 1.38Å | Aromatic |
| C12 | F1 | sing | 1.40Å | 1.34Å | |
| C17 | F4 | sing | 1.35Å | 1.36Å | |
| C17 | C18 | doub | 1.39Å | 1.37Å | Aromatic |
| C19 | C18 | sing | 1.38Å | 1.39Å | Aromatic |
| C2 | H1 | sing | 1.08Å | 1.08Å | |
| C3 | H2 | sing | 1.08Å | 1.08Å | |
| C7 | H3 | sing | 1.08Å | 1.08Å | |
| C10 | H4 | sing | 1.08Å | 1.08Å | |
| C15 | H5 | sing | 1.08Å | 1.08Å | |
| C18 | H6 | sing | 1.08Å | 1.08Å | |
| C16 | H7 | sing | 1.08Å | 1.08Å | |
| C19 | H8 | sing | 1.08Å | 1.08Å | |
| C | H9 | sing | 1.09Å | 1.10Å | |
| C | H10 | sing | 1.09Å | 1.10Å | |
| C | H11 | sing | 1.09Å | 1.10Å | |
| N | H12 | sing | 0.97Å | 1.00Å | |
| C8 | H13 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F | C11 | C10 | 118.1° | 120.1° |
| F | C11 | C6 | 118.5° | 120.1° |
| O | C5 | C6 | 120.5° | 120.0° |
| O | C5 | N | 123.2° | 120.0° |
| C10 | C11 | C6 | 123.5° | 119.8° |
| C11 | C10 | C9 | 119.1° | 120.1° |
| C11 | C10 | H4 | 120.5° | 120.0° |
| C11 | C6 | C5 | 122.9° | 120.2° |
| C11 | C6 | C7 | 116.7° | 119.7° |
| C1 | C2 | C3 | 119.9° | 119.4° |
| C2 | C1 | C | 122.0° | 119.4° |
| C2 | C1 | N1 | 121.6° | 121.1° |
| C1 | C2 | H1 | 120.1° | 120.3° |
| C2 | C3 | C4 | 120.0° | 118.5° |
| C3 | C2 | H1 | 120.0° | 120.3° |
| C2 | C3 | H2 | 120.0° | 120.8° |
| C6 | C5 | N | 116.3° | 120.0° |
| C5 | C6 | C7 | 120.3° | 120.2° |
| C5 | N | C4 | 124.7° | 120.0° |
| C5 | N | H12 | 117.6° | 120.0° |
| C | C1 | N1 | 116.4° | 119.5° |
| C1 | C | H9 | 109.5° | 109.5° |
| C1 | C | H10 | 109.5° | 109.5° |
| C1 | C | H11 | 109.5° | 109.5° |
| C10 | C9 | C12 | 120.3° | 119.8° |
| C10 | C9 | C8 | 119.0° | 120.3° |
| C9 | C10 | H4 | 120.5° | 120.0° |
| C1 | N1 | C13 | 120.4° | 121.6° |
| C3 | C4 | C13 | 116.7° | 118.9° |
| C3 | C4 | N | 121.3° | 120.5° |
| C4 | C3 | H2 | 120.0° | 120.8° |
| C6 | C7 | C8 | 121.0° | 119.9° |
| C6 | C7 | H3 | 119.5° | 120.1° |
| N1 | C13 | C4 | 121.3° | 120.5° |
| N1 | C13 | C14 | 114.1° | 119.8° |
| C13 | C4 | N | 122.0° | 120.6° |
| C4 | C13 | C14 | 124.6° | 119.7° |
| C4 | N | H12 | 117.6° | 120.0° |
| C16 | C15 | C14 | 121.4° | 119.9° |
| C15 | C16 | C17 | 118.2° | 120.1° |
| C16 | C15 | H5 | 119.3° | 120.0° |
| C15 | C16 | H7 | 120.9° | 119.9° |
| C15 | C14 | C13 | 120.0° | 120.1° |
| C15 | C14 | C19 | 118.1° | 119.8° |
| C14 | C15 | H5 | 119.3° | 120.1° |
| C13 | C14 | C19 | 121.8° | 120.1° |
| C16 | C17 | F4 | 118.1° | 119.9° |
| C16 | C17 | C18 | 123.0° | 120.2° |
| C17 | C16 | H7 | 120.9° | 119.9° |
| F2 | C12 | F3 | 102.3° | 109.5° |
| F2 | C12 | C9 | 114.5° | 109.5° |
| F2 | C12 | F1 | 104.8° | 109.5° |
| F3 | C12 | C9 | 112.0° | 109.5° |
| F3 | C12 | F1 | 108.3° | 109.5° |
| C12 | C9 | C8 | 120.8° | 119.8° |
| C9 | C12 | F1 | 114.0° | 109.5° |
| C9 | C8 | C7 | 120.8° | 120.2° |
| C9 | C8 | H13 | 119.6° | 119.9° |
| C14 | C19 | C18 | 121.2° | 119.8° |
| C14 | C19 | H8 | 119.4° | 120.0° |
| C8 | C7 | H3 | 119.5° | 120.1° |
| C7 | C8 | H13 | 119.6° | 119.9° |
| F4 | C17 | C18 | 118.9° | 119.9° |
| C17 | C18 | C19 | 118.1° | 120.1° |
| C17 | C18 | H6 | 120.9° | 120.0° |
| C19 | C18 | H6 | 121.0° | 119.9° |
| C18 | C19 | H8 | 119.4° | 120.1° |
| H9 | C | H10 | 109.5° | 109.5° |
| H9 | C | H11 | 109.5° | 109.5° |
| H10 | C | H11 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F | C11 | C10 | C6 | 178.9° | 179.3° |
| F | C11 | C6 | C5 | 5.9° | 0.2° |
| F | C11 | C10 | C9 | 178.3° | 180.0° |
| F | C11 | C6 | C7 | 177.7° | 179.8° |
| F | C11 | C10 | H4 | 1.7° | 0.5° |
| O | C5 | C6 | C11 | 47.2° | 0.0° |
| O | C5 | C6 | N | 179.7° | 180.0° |
| O | C5 | C6 | C7 | 129.1° | 180.0° |
| O | C5 | N | C4 | 3.1° | 5.6° |
| O | C5 | N | H12 | 176.9° | 174.4° |
| C10 | C11 | C6 | C5 | 175.2° | 179.5° |
| C11 | C10 | C9 | H4 | 180.0° | 179.5° |
| C10 | C11 | C6 | C7 | 1.2° | 0.5° |
| C11 | C10 | C9 | C12 | 178.8° | 179.5° |
| C11 | C10 | C9 | C8 | 0.1° | 0.5° |
| C11 | C6 | C5 | C7 | 176.3° | 180.0° |
| C11 | C6 | C5 | N | 133.1° | 180.0° |
| C6 | C11 | C10 | C9 | 0.7° | 0.7° |
| C11 | C6 | C7 | C8 | 0.9° | 0.0° |
| C11 | C6 | C7 | H3 | 179.1° | 179.8° |
| C6 | C11 | C10 | H4 | 179.4° | 179.8° |
| C1 | C2 | C3 | H1 | 180.0° | 179.7° |
| C2 | C1 | C | N1 | 177.7° | 180.0° |
| C1 | C2 | C3 | C4 | 0.3° | 0.0° |
| C2 | C1 | N1 | C13 | 1.4° | 0.0° |
| C1 | C2 | C3 | H2 | 179.7° | 180.0° |
| C2 | C1 | C | H9 | 177.7° | 90.0° |
| C2 | C1 | C | H10 | 57.7° | 150.0° |
| C2 | C1 | C | H11 | 62.2° | 30.0° |
| C3 | C2 | C1 | C | 177.1° | 180.0° |
| C3 | C2 | C1 | N1 | 0.5° | 0.0° |
| C2 | C3 | C4 | H2 | 180.0° | 180.0° |
| C2 | C3 | C4 | C13 | 0.2° | 0.0° |
| C2 | C3 | C4 | N | 178.1° | 180.0° |
| C6 | C5 | N | C4 | 176.6° | 174.4° |
| C5 | C6 | C7 | C8 | 175.6° | 180.0° |
| C5 | C6 | C7 | H3 | 4.4° | 0.3° |
| C6 | C5 | N | H12 | 3.4° | 5.6° |
| C5 | N | C4 | C3 | 88.1° | 18.7° |
| N | C5 | C6 | C7 | 50.6° | 0.0° |
| C5 | N | C4 | C13 | 89.7° | 161.2° |
| C5 | N | C4 | H12 | 180.0° | 180.0° |
| C | C1 | N1 | C13 | 176.4° | 180.0° |
| C | C1 | C2 | H1 | 2.9° | 0.2° |
| C1 | C | H9 | H10 | 120.0° | 120.0° |
| C1 | C | H9 | H11 | 120.0° | 120.1° |
| C1 | C | H10 | H11 | 120.0° | 120.0° |
| C10 | C9 | C12 | F2 | 19.8° | 150.0° |
| C10 | C9 | C12 | F3 | 96.2° | 30.0° |
| C10 | C9 | C12 | C8 | 178.9° | 179.9° |
| C10 | C9 | C8 | C7 | 0.4° | 0.0° |
| C10 | C9 | C12 | F1 | 140.4° | 90.0° |
| C10 | C9 | C8 | H13 | 179.7° | 180.0° |
| C1 | N1 | C13 | C4 | 1.4° | 0.0° |
| C1 | N1 | C13 | C14 | 179.6° | 180.0° |
| N1 | C1 | C2 | H1 | 179.5° | 179.7° |
| N1 | C1 | C | H9 | 0.0° | 90.0° |
| N1 | C1 | C | H10 | 120.0° | 30.0° |
| N1 | C1 | C | H11 | 120.0° | 149.9° |
| C3 | C4 | C13 | N1 | 0.6° | 0.0° |
| C3 | C4 | C13 | N | 177.9° | 179.9° |
| C3 | C4 | C13 | C14 | 179.4° | 180.0° |
| C4 | C3 | C2 | H1 | 179.7° | 179.7° |
| C3 | C4 | N | H12 | 92.0° | 161.3° |
| C6 | C7 | C8 | C9 | 0.2° | 0.3° |
| C6 | C7 | C8 | H3 | 180.0° | 179.8° |
| C6 | C7 | C8 | H13 | 179.8° | 179.8° |
| N1 | C13 | C4 | C14 | 178.8° | 179.9° |
| N1 | C13 | C4 | N | 177.2° | 179.9° |
| N1 | C13 | C14 | C15 | 44.7° | 43.4° |
| N1 | C13 | C14 | C19 | 138.3° | 136.5° |
| C4 | C13 | C14 | C15 | 134.1° | 136.6° |
| C4 | C13 | C14 | C19 | 42.8° | 43.6° |
| C13 | C4 | C3 | H2 | 179.8° | 180.0° |
| C13 | C4 | N | H12 | 90.3° | 18.8° |
| N | C4 | C13 | C14 | 1.6° | 0.1° |
| N | C4 | C3 | H2 | 1.9° | 0.1° |
| C16 | C15 | C14 | H5 | 180.0° | 179.8° |
| C16 | C15 | C14 | C13 | 175.7° | 180.0° |
| C15 | C16 | C17 | H7 | 180.0° | 180.0° |
| C16 | C15 | C14 | C19 | 1.3° | 0.1° |
| C15 | C16 | C17 | F4 | 178.0° | 180.0° |
| C15 | C16 | C17 | C18 | 1.3° | 0.0° |
| C15 | C14 | C13 | C19 | 176.9° | 179.9° |
| C14 | C15 | C16 | C17 | 0.2° | 0.1° |
| C15 | C14 | C19 | C18 | 1.8° | 0.1° |
| C14 | C15 | C16 | H7 | 179.8° | 180.0° |
| C15 | C14 | C19 | H8 | 178.2° | 180.0° |
| C13 | C14 | C19 | C18 | 175.2° | 180.0° |
| C13 | C14 | C15 | H5 | 4.3° | 0.2° |
| C13 | C14 | C19 | H8 | 4.8° | 0.1° |
| C16 | C17 | F4 | C18 | 179.3° | 180.0° |
| C16 | C17 | C18 | C19 | 0.8° | 0.0° |
| C17 | C16 | C15 | H5 | 179.8° | 179.7° |
| C16 | C17 | C18 | H6 | 179.2° | 179.9° |
| F2 | C12 | F3 | C9 | 123.1° | 120.0° |
| F2 | C12 | F3 | F1 | 110.3° | 120.0° |
| F2 | C12 | C9 | F1 | 120.7° | 120.0° |
| F2 | C12 | C9 | C8 | 161.3° | 29.9° |
| F3 | C12 | C9 | F1 | 123.4° | 120.0° |
| F3 | C12 | C9 | C8 | 82.7° | 150.0° |
| C12 | C9 | C8 | C7 | 178.6° | 180.0° |
| C12 | C9 | C10 | H4 | 1.2° | 0.0° |
| C12 | C9 | C8 | H13 | 1.4° | 0.1° |
| C9 | C8 | C7 | H13 | 180.0° | 180.0° |
| C8 | C9 | C12 | F1 | 40.7° | 90.0° |
| C9 | C8 | C7 | H3 | 179.8° | 180.0° |
| C8 | C9 | C10 | H4 | 179.8° | 180.0° |
| C14 | C19 | C18 | C17 | 0.8° | 0.0° |
| C14 | C19 | C18 | H8 | 180.0° | 179.9° |
| C19 | C14 | C15 | H5 | 178.7° | 179.7° |
| C14 | C19 | C18 | H6 | 179.2° | 179.9° |
| F4 | C17 | C18 | C19 | 178.5° | 180.0° |
| F4 | C17 | C18 | H6 | 1.5° | 0.1° |
| F4 | C17 | C16 | H7 | 2.0° | 0.0° |
| C17 | C18 | C19 | H6 | 180.0° | 180.0° |
| C18 | C17 | C16 | H7 | 178.7° | 180.0° |
| C17 | C18 | C19 | H8 | 179.2° | 180.0° |
| H1 | C2 | C3 | H2 | 0.3° | 0.3° |
| H3 | C7 | C8 | H13 | 0.2° | 0.0° |
| H5 | C15 | C16 | H7 | 0.2° | 0.3° |
| H6 | C18 | C19 | H8 | 0.8° | 0.0° |
| H9 | C | H10 | H11 | 120.0° | 120.0° |
