6UY
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F1 | C5 | sing | 1.35Å | 1.35Å | |
| C6 | C5 | doub | 1.39Å | 1.40Å | Aromatic |
| C6 | C7 | sing | 1.38Å | 1.38Å | Aromatic |
| C5 | C4 | sing | 1.38Å | 1.38Å | Aromatic |
| C17 | C18 | doub | 1.38Å | 1.39Å | Aromatic |
| C17 | C16 | sing | 1.38Å | 1.39Å | Aromatic |
| C18 | C19 | sing | 1.38Å | 1.38Å | Aromatic |
| C7 | C2 | doub | 1.39Å | 1.39Å | Aromatic |
| C4 | C3 | doub | 1.38Å | 1.37Å | Aromatic |
| C16 | C15 | doub | 1.38Å | 1.37Å | Aromatic |
| C19 | C14 | doub | 1.38Å | 1.41Å | Aromatic |
| C2 | C3 | sing | 1.39Å | 1.39Å | Aromatic |
| C2 | N1 | sing | 1.40Å | 1.41Å | |
| C15 | C14 | sing | 1.38Å | 1.40Å | Aromatic |
| O1 | C1 | doub | 1.21Å | 1.22Å | |
| C14 | C8 | sing | 1.51Å | 1.48Å | |
| N1 | C1 | sing | 1.35Å | 1.37Å | |
| C1 | C8 | sing | 1.51Å | 1.51Å | |
| C8 | O2 | sing | 1.45Å | 1.46Å | |
| O2 | C9 | sing | 1.35Å | 1.39Å | |
| C9 | O3 | doub | 1.21Å | 1.22Å | |
| C9 | C10 | sing | 1.48Å | 1.50Å | |
| N2 | C10 | doub | 1.33Å | 1.35Å | Aromatic |
| N2 | C11 | sing | 1.32Å | 1.34Å | Aromatic |
| C10 | C13 | sing | 1.40Å | 1.40Å | Aromatic |
| C11 | C12 | doub | 1.39Å | 1.38Å | Aromatic |
| C13 | N4 | sing | 1.38Å | 1.39Å | |
| C13 | N3 | doub | 1.33Å | 1.35Å | Aromatic |
| C12 | N3 | sing | 1.32Å | 1.35Å | Aromatic |
| C3 | H1 | sing | 1.08Å | 1.08Å | |
| C4 | H2 | sing | 1.08Å | 1.08Å | |
| C6 | H3 | sing | 1.08Å | 1.08Å | |
| C7 | H4 | sing | 1.08Å | 1.08Å | |
| N1 | H5 | sing | 0.97Å | 1.00Å | |
| N4 | H6 | sing | 0.97Å | 1.00Å | |
| N4 | H7 | sing | 0.97Å | 1.00Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C11 | H9 | sing | 1.08Å | 1.08Å | |
| C12 | H10 | sing | 1.08Å | 1.08Å | |
| C15 | H11 | sing | 1.08Å | 1.08Å | |
| C16 | H12 | sing | 1.08Å | 1.08Å | |
| C17 | H13 | sing | 1.08Å | 1.08Å | |
| C18 | H14 | sing | 1.08Å | 1.08Å | |
| C19 | H15 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F1 | C5 | C6 | 122.3° | 119.9° |
| F1 | C5 | C4 | 116.3° | 120.0° |
| C5 | C6 | C7 | 118.7° | 120.0° |
| C6 | C5 | C4 | 121.3° | 120.1° |
| C5 | C6 | H3 | 120.7° | 120.0° |
| C6 | C7 | C2 | 119.7° | 120.0° |
| C7 | C6 | H3 | 120.6° | 120.0° |
| C6 | C7 | H4 | 120.1° | 120.0° |
| C5 | C4 | C3 | 120.1° | 120.1° |
| C5 | C4 | H2 | 119.9° | 120.0° |
| C18 | C17 | C16 | 122.7° | 120.0° |
| C17 | C18 | C19 | 119.1° | 120.0° |
| C18 | C17 | H13 | 118.6° | 119.9° |
| C17 | C18 | H14 | 120.4° | 120.1° |
| C17 | C16 | C15 | 118.6° | 120.0° |
| C17 | C16 | H12 | 120.7° | 120.0° |
| C16 | C17 | H13 | 118.7° | 120.0° |
| C18 | C19 | C14 | 118.5° | 120.0° |
| C19 | C18 | H14 | 120.4° | 120.0° |
| C18 | C19 | H15 | 120.8° | 120.0° |
| C7 | C2 | C3 | 120.8° | 119.9° |
| C7 | C2 | N1 | 119.3° | 120.0° |
| C2 | C7 | H4 | 120.2° | 120.0° |
| C4 | C3 | C2 | 119.2° | 120.0° |
| C4 | C3 | H1 | 120.4° | 120.1° |
| C3 | C4 | H2 | 120.0° | 119.9° |
| C16 | C15 | C14 | 119.5° | 120.0° |
| C16 | C15 | H11 | 120.2° | 120.0° |
| C15 | C16 | H12 | 120.7° | 120.0° |
| C19 | C14 | C15 | 121.5° | 120.0° |
| C19 | C14 | C8 | 125.7° | 120.0° |
| C14 | C19 | H15 | 120.7° | 120.0° |
| C3 | C2 | N1 | 119.8° | 120.1° |
| C2 | C3 | H1 | 120.4° | 120.0° |
| C2 | N1 | C1 | 126.2° | 120.0° |
| C2 | N1 | H5 | 116.9° | 120.0° |
| C15 | C14 | C8 | 112.8° | 120.0° |
| C14 | C15 | H11 | 120.3° | 120.0° |
| O1 | C1 | N1 | 120.7° | 120.0° |
| O1 | C1 | C8 | 117.4° | 120.0° |
| C14 | C8 | C1 | 114.5° | 109.5° |
| C14 | C8 | O2 | 104.0° | 109.5° |
| C14 | C8 | H8 | 110.5° | 109.5° |
| N1 | C1 | C8 | 116.0° | 120.0° |
| C1 | N1 | H5 | 116.9° | 120.0° |
| C1 | C8 | O2 | 107.0° | 109.5° |
| C1 | C8 | H8 | 110.0° | 109.5° |
| C8 | O2 | C9 | 118.2° | 117.0° |
| O2 | C8 | H8 | 110.7° | 109.4° |
| O2 | C9 | O3 | 123.8° | 120.0° |
| O2 | C9 | C10 | 115.9° | 120.0° |
| O3 | C9 | C10 | 120.2° | 120.0° |
| C9 | C10 | N2 | 119.3° | 120.1° |
| C9 | C10 | C13 | 120.3° | 120.2° |
| C10 | N2 | C11 | 117.0° | 120.0° |
| N2 | C10 | C13 | 120.4° | 119.7° |
| N2 | C11 | C12 | 122.5° | 120.4° |
| N2 | C11 | H9 | 118.8° | 119.8° |
| C10 | C13 | N4 | 119.4° | 120.2° |
| C10 | C13 | N3 | 122.3° | 119.7° |
| C11 | C12 | N3 | 121.7° | 120.3° |
| C12 | C11 | H9 | 118.7° | 119.9° |
| C11 | C12 | H10 | 119.2° | 119.8° |
| N4 | C13 | N3 | 118.3° | 120.1° |
| C13 | N4 | H6 | 109.5° | 120.0° |
| C13 | N4 | H7 | 109.5° | 120.0° |
| C13 | N3 | C12 | 116.1° | 119.9° |
| N3 | C12 | H10 | 119.1° | 119.8° |
| H6 | N4 | H7 | 109.5° | 119.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F1 | C5 | C6 | C4 | 177.5° | 179.9° |
| F1 | C5 | C6 | C7 | 178.6° | 179.8° |
| F1 | C5 | C4 | C3 | 179.1° | 180.0° |
| F1 | C5 | C4 | H2 | 0.9° | 0.1° |
| F1 | C5 | C6 | H3 | 1.4° | 0.0° |
| C5 | C6 | C7 | H3 | 180.0° | 179.8° |
| C5 | C6 | C7 | C2 | 0.7° | 0.5° |
| C6 | C5 | C4 | C3 | 1.4° | 0.0° |
| C6 | C5 | C4 | H2 | 178.6° | 180.0° |
| C5 | C6 | C7 | H4 | 179.3° | 180.0° |
| C7 | C6 | C5 | C4 | 1.1° | 0.3° |
| C6 | C7 | C2 | H4 | 180.0° | 179.5° |
| C6 | C7 | C2 | C3 | 2.1° | 0.5° |
| C6 | C7 | C2 | N1 | 178.6° | 179.8° |
| C5 | C4 | C3 | H2 | 180.0° | 179.9° |
| C5 | C4 | C3 | C2 | 0.1° | 0.0° |
| C5 | C4 | C3 | H1 | 179.9° | 180.0° |
| C4 | C5 | C6 | H3 | 178.9° | 179.9° |
| C18 | C17 | C16 | H13 | 180.0° | 179.8° |
| C17 | C18 | C19 | H14 | 180.0° | 179.7° |
| C18 | C17 | C16 | C15 | 0.2° | 0.1° |
| C17 | C18 | C19 | C14 | 0.3° | 0.6° |
| C18 | C17 | C16 | H12 | 179.8° | 180.0° |
| C17 | C18 | C19 | H15 | 179.7° | 180.0° |
| C16 | C17 | C18 | C19 | 0.2° | 0.2° |
| C17 | C16 | C15 | H12 | 180.0° | 180.0° |
| C17 | C16 | C15 | C14 | 0.3° | 0.0° |
| C17 | C16 | C15 | H11 | 179.7° | 180.0° |
| C16 | C17 | C18 | H14 | 179.7° | 180.0° |
| C18 | C19 | C14 | H15 | 180.0° | 179.4° |
| C18 | C19 | C14 | C15 | 0.8° | 0.6° |
| C18 | C19 | C14 | C8 | 178.2° | 179.7° |
| C19 | C18 | C17 | H13 | 179.8° | 180.0° |
| C7 | C2 | C3 | C4 | 1.8° | 0.3° |
| C7 | C2 | C3 | N1 | 176.5° | 179.7° |
| C7 | C2 | N1 | C1 | 144.9° | 145.2° |
| C7 | C2 | C3 | H1 | 178.2° | 179.8° |
| C2 | C7 | C6 | H3 | 179.3° | 179.7° |
| C7 | C2 | N1 | H5 | 35.1° | 34.9° |
| C4 | C3 | C2 | H1 | 180.0° | 179.9° |
| C4 | C3 | C2 | N1 | 178.3° | 180.0° |
| C16 | C15 | C14 | C19 | 0.9° | 0.3° |
| C16 | C15 | C14 | H11 | 180.0° | 180.0° |
| C16 | C15 | C14 | C8 | 178.3° | 180.0° |
| C15 | C16 | C17 | H13 | 179.8° | 179.7° |
| C19 | C14 | C15 | C8 | 179.2° | 179.7° |
| C19 | C14 | C8 | C1 | 76.8° | 84.7° |
| C19 | C14 | C8 | O2 | 39.5° | 35.3° |
| C19 | C14 | C8 | H8 | 158.4° | 155.3° |
| C19 | C14 | C15 | H11 | 179.1° | 179.7° |
| C14 | C19 | C18 | H14 | 179.7° | 179.7° |
| C3 | C2 | N1 | C1 | 38.6° | 35.1° |
| C2 | C3 | C4 | H2 | 179.9° | 180.0° |
| C3 | C2 | C7 | H4 | 177.9° | 180.0° |
| C3 | C2 | N1 | H5 | 141.4° | 144.9° |
| C2 | N1 | C1 | O1 | 11.7° | 4.7° |
| C2 | N1 | C1 | H5 | 180.0° | 179.9° |
| C2 | N1 | C1 | C8 | 164.0° | 175.5° |
| N1 | C2 | C3 | H1 | 1.7° | 0.0° |
| N1 | C2 | C7 | H4 | 1.4° | 0.3° |
| C15 | C14 | C8 | C1 | 102.4° | 95.0° |
| C15 | C14 | C8 | O2 | 141.3° | 145.0° |
| C15 | C14 | C8 | H8 | 22.5° | 25.1° |
| C14 | C15 | C16 | H12 | 179.7° | 180.0° |
| C15 | C14 | C19 | H15 | 179.2° | 180.0° |
| O1 | C1 | C8 | C14 | 69.0° | 114.7° |
| O1 | C1 | N1 | C8 | 152.3° | 179.7° |
| O1 | C1 | C8 | O2 | 176.4° | 5.3° |
| O1 | C1 | N1 | H5 | 168.3° | 175.2° |
| O1 | C1 | C8 | H8 | 56.1° | 125.2° |
| C14 | C8 | C1 | N1 | 84.2° | 65.0° |
| C14 | C8 | C1 | O2 | 114.6° | 120.0° |
| C14 | C8 | C1 | H8 | 125.1° | 120.0° |
| C14 | C8 | O2 | H8 | 118.6° | 120.0° |
| C14 | C8 | O2 | C9 | 88.7° | 90.0° |
| C8 | C14 | C15 | H11 | 1.7° | 0.0° |
| C8 | C14 | C19 | H15 | 1.8° | 0.3° |
| N1 | C1 | C8 | O2 | 30.4° | 175.0° |
| N1 | C1 | C8 | H8 | 150.7° | 55.0° |
| C1 | C8 | O2 | H8 | 119.9° | 120.0° |
| C1 | C8 | O2 | C9 | 149.8° | 150.0° |
| C8 | C1 | N1 | H5 | 16.1° | 4.5° |
| C8 | O2 | C9 | O3 | 1.0° | 0.1° |
| C8 | O2 | C9 | C10 | 178.0° | 180.0° |
| O2 | C9 | O3 | C10 | 176.9° | 180.0° |
| O2 | C9 | C10 | N2 | 1.2° | 5.3° |
| O2 | C9 | C10 | C13 | 177.9° | 174.7° |
| C9 | O2 | C8 | H8 | 29.9° | 30.0° |
| O3 | C9 | C10 | N2 | 178.4° | 174.7° |
| O3 | C9 | C10 | C13 | 0.8° | 5.3° |
| C9 | C10 | N2 | C13 | 179.1° | 180.0° |
| C9 | C10 | N2 | C11 | 176.7° | 179.9° |
| C9 | C10 | C13 | N4 | 3.7° | 0.0° |
| C9 | C10 | C13 | N3 | 178.1° | 180.0° |
| C10 | N2 | C11 | C12 | 2.6° | 0.1° |
| N2 | C10 | C13 | N4 | 177.2° | 180.0° |
| N2 | C10 | C13 | N3 | 1.0° | 0.1° |
| C10 | N2 | C11 | H9 | 177.4° | 180.0° |
| C11 | N2 | C10 | C13 | 2.4° | 0.1° |
| N2 | C11 | C12 | H9 | 180.0° | 179.9° |
| N2 | C11 | C12 | N3 | 1.2° | 0.1° |
| N2 | C11 | C12 | H10 | 178.8° | 180.0° |
| C10 | C13 | N4 | N3 | 178.3° | 180.0° |
| C10 | C13 | N3 | C12 | 0.4° | 0.0° |
| C10 | C13 | N4 | H6 | 178.3° | 5.2° |
| C10 | C13 | N4 | H7 | 61.7° | 174.8° |
| C11 | C12 | N3 | C13 | 0.3° | 0.0° |
| C11 | C12 | N3 | H10 | 180.0° | 180.0° |
| N4 | C13 | N3 | C12 | 178.7° | 180.0° |
| C13 | N4 | H6 | H7 | 120.0° | 180.0° |
| N3 | C13 | N4 | H6 | 0.0° | 174.8° |
| N3 | C13 | N4 | H7 | 120.0° | 5.2° |
| C13 | N3 | C12 | H10 | 179.7° | 180.0° |
| N3 | C12 | C11 | H9 | 178.8° | 180.0° |
| H1 | C3 | C4 | H2 | 0.1° | 0.1° |
| H3 | C6 | C7 | H4 | 0.7° | 0.2° |
| H9 | C11 | C12 | H10 | 1.2° | 0.0° |
| H11 | C15 | C16 | H12 | 0.3° | 0.0° |
| H12 | C16 | C17 | H13 | 0.2° | 0.3° |
| H13 | C17 | C18 | H14 | 0.2° | 0.2° |
| H14 | C18 | C19 | H15 | 0.3° | 0.3° |
