6UF
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C | C1 | doub | 1.39Å | 1.39Å | Aromatic |
| C | C5 | sing | 1.37Å | 1.39Å | Aromatic |
| C1 | C2 | sing | 1.38Å | 1.39Å | Aromatic |
| C5 | C4 | doub | 1.40Å | 1.40Å | Aromatic |
| C2 | C3 | doub | 1.39Å | 1.39Å | Aromatic |
| C4 | C3 | sing | 1.41Å | 1.41Å | Aromatic |
| C4 | C6 | sing | 1.46Å | 1.44Å | Aromatic |
| C3 | N | sing | 1.38Å | 1.40Å | Aromatic |
| C14 | C13 | doub | 1.39Å | 1.38Å | Aromatic |
| C14 | C15 | sing | 1.39Å | 1.39Å | Aromatic |
| C13 | C12 | sing | 1.38Å | 1.38Å | Aromatic |
| O | C9 | doub | 1.21Å | 1.24Å | |
| C15 | C11 | doub | 1.38Å | 1.39Å | Aromatic |
| C12 | N2 | doub | 1.32Å | 1.35Å | Aromatic |
| C6 | C7 | doub | 1.36Å | 1.37Å | Aromatic |
| N | C8 | sing | 1.46Å | 1.46Å | |
| N | C7 | sing | 1.38Å | 1.43Å | Aromatic |
| C9 | C8 | sing | 1.51Å | 1.52Å | |
| C9 | N1 | sing | 1.35Å | 1.34Å | |
| C11 | N2 | sing | 1.32Å | 1.35Å | Aromatic |
| C11 | C10 | sing | 1.51Å | 1.51Å | |
| C7 | C16 | sing | 1.47Å | 1.45Å | |
| C10 | N1 | sing | 1.47Å | 1.46Å | |
| C16 | C19 | doub | 1.35Å | 1.39Å | Aromatic |
| C16 | S | sing | 1.76Å | 1.71Å | Aromatic |
| C19 | C18 | sing | 1.38Å | 1.41Å | Aromatic |
| S | C17 | sing | 1.76Å | 1.70Å | Aromatic |
| C18 | C17 | doub | 1.34Å | 1.35Å | Aromatic |
| C2 | H1 | sing | 1.08Å | 1.08Å | |
| C5 | H2 | sing | 1.08Å | 1.08Å | |
| C10 | H3 | sing | 1.09Å | 1.10Å | |
| C10 | H4 | sing | 1.09Å | 1.10Å | |
| C12 | H5 | sing | 1.08Å | 1.08Å | |
| C13 | H6 | sing | 1.08Å | 1.08Å | |
| C15 | H7 | sing | 1.08Å | 1.08Å | |
| C18 | H8 | sing | 1.08Å | 1.08Å | |
| N1 | H9 | sing | 0.97Å | 1.00Å | |
| C14 | H10 | sing | 1.08Å | 1.08Å | |
| C8 | H11 | sing | 1.09Å | 1.10Å | |
| C8 | H12 | sing | 1.09Å | 1.10Å | |
| C1 | H13 | sing | 1.08Å | 1.08Å | |
| C6 | H14 | sing | 1.08Å | 1.08Å | |
| C | H15 | sing | 1.08Å | 1.08Å | |
| C19 | H16 | sing | 1.08Å | 1.08Å | |
| C17 | H17 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | C | C5 | 120.5° | 120.5° |
| C | C1 | C2 | 120.7° | 120.7° |
| C | C1 | H13 | 119.6° | 119.7° |
| C1 | C | H15 | 119.7° | 119.7° |
| C | C5 | C4 | 120.0° | 119.7° |
| C | C5 | H2 | 120.0° | 120.2° |
| C5 | C | H15 | 119.7° | 119.7° |
| C1 | C2 | C3 | 118.5° | 119.8° |
| C1 | C2 | H1 | 120.8° | 120.1° |
| C2 | C1 | H13 | 119.6° | 119.6° |
| C5 | C4 | C3 | 118.6° | 119.9° |
| C5 | C4 | C6 | 134.1° | 133.8° |
| C4 | C5 | H2 | 120.0° | 120.1° |
| C2 | C3 | C4 | 121.6° | 119.3° |
| C2 | C3 | N | 130.3° | 133.2° |
| C3 | C2 | H1 | 120.8° | 120.1° |
| C3 | C4 | C6 | 107.4° | 106.3° |
| C4 | C3 | N | 108.0° | 107.5° |
| C4 | C6 | C7 | 108.1° | 106.9° |
| C4 | C6 | H14 | 125.9° | 126.6° |
| C3 | N | C8 | 125.1° | 125.2° |
| C3 | N | C7 | 107.8° | 109.7° |
| C13 | C14 | C15 | 119.8° | 118.4° |
| C14 | C13 | C12 | 118.0° | 119.1° |
| C14 | C13 | H6 | 121.0° | 120.4° |
| C13 | C14 | H10 | 120.1° | 120.8° |
| C14 | C15 | C11 | 118.6° | 119.1° |
| C14 | C15 | H7 | 120.7° | 120.4° |
| C15 | C14 | H10 | 120.1° | 120.8° |
| C13 | C12 | N2 | 123.6° | 120.8° |
| C13 | C12 | H5 | 118.2° | 119.6° |
| C12 | C13 | H6 | 121.0° | 120.4° |
| O | C9 | C8 | 121.0° | 120.0° |
| O | C9 | N1 | 123.7° | 120.0° |
| C15 | C11 | N2 | 122.4° | 120.8° |
| C15 | C11 | C10 | 122.2° | 119.6° |
| C11 | C15 | H7 | 120.7° | 120.4° |
| C12 | N2 | C11 | 117.7° | 121.7° |
| N2 | C12 | H5 | 118.2° | 119.6° |
| C6 | C7 | N | 108.6° | 109.5° |
| C6 | C7 | C16 | 121.9° | 125.3° |
| C7 | C6 | H14 | 126.0° | 126.5° |
| C8 | N | C7 | 126.9° | 125.1° |
| N | C8 | C9 | 114.2° | 109.5° |
| N | C8 | H11 | 108.3° | 109.5° |
| N | C8 | H12 | 108.2° | 109.5° |
| N | C7 | C16 | 129.4° | 125.2° |
| C8 | C9 | N1 | 115.3° | 120.0° |
| C9 | C8 | H11 | 108.3° | 109.5° |
| C9 | C8 | H12 | 108.3° | 109.5° |
| C9 | N1 | C10 | 123.0° | 120.0° |
| C9 | N1 | H9 | 118.5° | 120.0° |
| N2 | C11 | C10 | 115.4° | 119.6° |
| C11 | C10 | N1 | 115.1° | 109.4° |
| C11 | C10 | H3 | 108.0° | 109.5° |
| C11 | C10 | H4 | 108.0° | 109.5° |
| C7 | C16 | C19 | 128.2° | 125.2° |
| C7 | C16 | S | 120.7° | 125.3° |
| N1 | C10 | H3 | 108.0° | 109.5° |
| N1 | C10 | H4 | 108.0° | 109.5° |
| C10 | N1 | H9 | 118.5° | 120.1° |
| C19 | C16 | S | 111.1° | 109.5° |
| C16 | C19 | C18 | 111.2° | 114.6° |
| C16 | C19 | H16 | 124.4° | 122.7° |
| C16 | S | C17 | 91.9° | 91.0° |
| C19 | C18 | C17 | 113.5° | 115.1° |
| C19 | C18 | H8 | 123.2° | 122.5° |
| C18 | C19 | H16 | 124.4° | 122.7° |
| S | C17 | C18 | 112.2° | 109.8° |
| S | C17 | H17 | 123.9° | 125.1° |
| C17 | C18 | H8 | 123.2° | 122.4° |
| C18 | C17 | H17 | 123.9° | 125.1° |
| H3 | C10 | H4 | 109.5° | 109.5° |
| H11 | C8 | H12 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | C | C5 | H15 | 180.0° | 179.4° |
| C | C1 | C2 | H13 | 180.0° | 179.9° |
| C1 | C | C5 | C4 | 0.1° | 0.9° |
| C | C1 | C2 | C3 | 0.0° | 0.1° |
| C | C1 | C2 | H1 | 180.0° | 179.7° |
| C1 | C | C5 | H2 | 179.9° | 179.7° |
| C5 | C | C1 | C2 | 0.3° | 0.6° |
| C | C5 | C4 | H2 | 180.0° | 179.4° |
| C | C5 | C4 | C3 | 0.8° | 0.6° |
| C | C5 | C4 | C6 | 179.0° | 180.0° |
| C5 | C | C1 | H13 | 179.7° | 179.5° |
| C1 | C2 | C3 | H1 | 180.0° | 179.8° |
| C1 | C2 | C3 | C4 | 0.7° | 0.2° |
| C1 | C2 | C3 | N | 179.0° | 179.7° |
| C2 | C1 | C | H15 | 179.7° | 180.0° |
| C5 | C4 | C3 | C2 | 1.1° | 0.0° |
| C5 | C4 | C3 | C6 | 179.8° | 179.6° |
| C5 | C4 | C3 | N | 178.7° | 180.0° |
| C5 | C4 | C6 | C7 | 179.9° | 179.9° |
| C5 | C4 | C6 | H14 | 0.1° | 0.1° |
| C4 | C5 | C | H15 | 179.9° | 179.7° |
| C2 | C3 | C4 | N | 179.8° | 180.0° |
| C2 | C3 | C4 | C6 | 178.7° | 179.6° |
| C2 | C3 | N | C8 | 6.6° | 0.1° |
| C2 | C3 | N | C7 | 178.2° | 180.0° |
| C3 | C2 | C1 | H13 | 180.0° | 180.0° |
| C3 | C4 | C6 | C7 | 0.4° | 0.6° |
| C4 | C3 | N | C8 | 173.1° | 179.9° |
| C4 | C3 | N | C7 | 2.1° | 0.1° |
| C4 | C3 | C2 | H1 | 179.3° | 180.0° |
| C3 | C4 | C5 | H2 | 179.2° | 180.0° |
| C3 | C4 | C6 | H14 | 179.6° | 179.6° |
| C6 | C4 | C3 | N | 1.5° | 0.4° |
| C4 | C6 | C7 | H14 | 180.0° | 179.8° |
| C4 | C6 | C7 | N | 0.9° | 0.6° |
| C4 | C6 | C7 | C16 | 178.7° | 179.7° |
| C6 | C4 | C5 | H2 | 1.1° | 0.6° |
| C3 | N | C7 | C6 | 1.8° | 0.4° |
| C3 | N | C8 | C7 | 174.3° | 179.8° |
| C3 | N | C8 | C9 | 95.4° | 90.0° |
| C3 | N | C7 | C16 | 177.7° | 180.0° |
| N | C3 | C2 | H1 | 1.0° | 0.0° |
| C3 | N | C8 | H11 | 143.9° | 29.9° |
| C3 | N | C8 | H12 | 25.3° | 150.0° |
| C13 | C14 | C15 | H10 | 180.0° | 179.9° |
| C14 | C13 | C12 | H6 | 180.0° | 179.5° |
| C13 | C14 | C15 | C11 | 0.1° | 0.1° |
| C14 | C13 | C12 | N2 | 0.0° | 0.5° |
| C14 | C13 | C12 | H5 | 180.0° | 180.0° |
| C13 | C14 | C15 | H7 | 179.9° | 179.9° |
| C15 | C14 | C13 | C12 | 0.2° | 0.2° |
| C14 | C15 | C11 | H7 | 180.0° | 180.0° |
| C14 | C15 | C11 | N2 | 0.1° | 0.0° |
| C14 | C15 | C11 | C10 | 179.0° | 179.7° |
| C15 | C14 | C13 | H6 | 179.9° | 179.7° |
| C13 | C12 | N2 | H5 | 180.0° | 179.5° |
| C13 | C12 | N2 | C11 | 0.2° | 0.6° |
| C12 | C13 | C14 | H10 | 179.9° | 179.8° |
| O | C9 | C8 | N | 16.3° | 0.1° |
| O | C9 | C8 | N1 | 179.2° | 179.9° |
| O | C9 | N1 | C10 | 1.6° | 0.1° |
| O | C9 | N1 | H9 | 178.4° | 180.0° |
| O | C9 | C8 | H11 | 137.0° | 120.0° |
| O | C9 | C8 | H12 | 104.3° | 120.0° |
| C15 | C11 | N2 | C12 | 0.3° | 0.4° |
| C15 | C11 | N2 | C10 | 179.1° | 179.6° |
| C15 | C11 | C10 | N1 | 5.5° | 95.3° |
| C15 | C11 | C10 | H3 | 126.3° | 144.7° |
| C15 | C11 | C10 | H4 | 115.3° | 24.7° |
| C11 | C15 | C14 | H10 | 179.9° | 180.0° |
| C12 | N2 | C11 | C10 | 178.8° | 180.0° |
| N2 | C12 | C13 | H6 | 180.0° | 180.0° |
| C6 | C7 | N | C8 | 173.2° | 179.5° |
| C6 | C7 | N | C16 | 179.6° | 179.6° |
| C6 | C7 | C16 | C19 | 157.9° | 4.5° |
| C6 | C7 | C16 | S | 20.9° | 175.7° |
| N | C8 | C9 | H11 | 120.7° | 120.0° |
| N | C8 | C9 | H12 | 120.7° | 120.0° |
| N | C8 | C9 | N1 | 164.5° | 180.0° |
| C8 | N | C7 | C16 | 7.2° | 0.1° |
| N | C8 | H11 | H12 | 117.8° | 120.1° |
| C7 | N | C8 | C9 | 90.3° | 90.1° |
| N | C7 | C16 | C19 | 21.7° | 175.1° |
| N | C7 | C16 | S | 159.6° | 4.7° |
| C7 | N | C8 | H11 | 30.4° | 149.9° |
| C7 | N | C8 | H12 | 149.0° | 29.9° |
| N | C7 | C6 | H14 | 179.1° | 179.6° |
| C8 | C9 | N1 | C10 | 179.2° | 180.0° |
| C8 | C9 | N1 | H9 | 0.8° | 0.1° |
| C9 | C8 | H11 | H12 | 117.8° | 120.0° |
| C9 | N1 | C10 | C11 | 112.1° | 180.0° |
| C9 | N1 | C10 | H9 | 180.0° | 180.0° |
| C9 | N1 | C10 | H3 | 127.1° | 60.0° |
| C9 | N1 | C10 | H4 | 8.8° | 60.0° |
| N1 | C9 | C8 | H11 | 43.8° | 60.0° |
| N1 | C9 | C8 | H12 | 74.8° | 59.9° |
| N2 | C11 | C10 | N1 | 173.6° | 85.1° |
| N2 | C11 | C10 | H3 | 52.8° | 34.9° |
| N2 | C11 | C10 | H4 | 65.5° | 154.9° |
| C11 | N2 | C12 | H5 | 179.8° | 179.9° |
| N2 | C11 | C15 | H7 | 179.9° | 180.0° |
| C11 | C10 | N1 | H3 | 120.8° | 120.0° |
| C11 | C10 | N1 | H4 | 120.8° | 120.0° |
| C11 | C10 | H3 | H4 | 117.4° | 120.0° |
| C10 | C11 | C15 | H7 | 1.0° | 0.3° |
| C11 | C10 | N1 | H9 | 67.9° | 0.0° |
| C7 | C16 | C19 | S | 178.8° | 179.8° |
| C7 | C16 | C19 | C18 | 178.6° | 180.0° |
| C7 | C16 | S | C17 | 178.5° | 180.0° |
| C16 | C7 | C6 | H14 | 1.3° | 0.1° |
| C7 | C16 | C19 | H16 | 1.4° | 0.0° |
| N1 | C10 | H3 | H4 | 117.4° | 120.1° |
| C16 | C19 | C18 | H16 | 180.0° | 180.0° |
| C19 | C16 | S | C17 | 0.4° | 0.3° |
| C16 | C19 | C18 | C17 | 0.1° | 0.0° |
| C16 | C19 | C18 | H8 | 180.0° | 179.7° |
| S | C16 | C19 | C18 | 0.3° | 0.2° |
| C16 | S | C17 | C18 | 0.4° | 0.3° |
| S | C16 | C19 | H16 | 179.8° | 179.8° |
| C16 | S | C17 | H17 | 179.5° | 179.6° |
| C19 | C18 | C17 | S | 0.4° | 0.2° |
| C19 | C18 | C17 | H8 | 180.0° | 179.7° |
| C19 | C18 | C17 | H17 | 179.6° | 179.7° |
| S | C17 | C18 | H17 | 180.0° | 179.9° |
| S | C17 | C18 | H8 | 179.7° | 179.9° |
| C17 | C18 | C19 | H16 | 179.9° | 180.0° |
| H1 | C2 | C1 | H13 | 0.0° | 0.2° |
| H2 | C5 | C | H15 | 0.1° | 0.4° |
| H3 | C10 | N1 | H9 | 52.9° | 120.0° |
| H4 | C10 | N1 | H9 | 171.3° | 120.0° |
| H5 | C12 | C13 | H6 | 0.0° | 0.5° |
| H6 | C13 | C14 | H10 | 0.1° | 0.2° |
| H7 | C15 | C14 | H10 | 0.1° | 0.0° |
| H8 | C18 | C19 | H16 | 0.1° | 0.3° |
| H8 | C18 | C17 | H17 | 0.4° | 0.1° |
| H13 | C1 | C | H15 | 0.3° | 0.1° |
