6UE
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C15 | C16 | doub | 1.38Å | 1.42Å | Aromatic |
| C15 | C14 | sing | 1.38Å | 1.43Å | Aromatic |
| C16 | C17 | sing | 1.38Å | 1.43Å | Aromatic |
| C14 | C13 | doub | 1.38Å | 1.40Å | Aromatic |
| C | C1 | sing | 1.51Å | 1.51Å | |
| O | C11 | doub | 1.22Å | 1.25Å | |
| N | C1 | doub | 1.32Å | 1.39Å | Aromatic |
| N | C2 | sing | 1.32Å | 1.36Å | Aromatic |
| C17 | C18 | doub | 1.40Å | 1.41Å | Aromatic |
| C1 | N1 | sing | 1.32Å | 1.39Å | Aromatic |
| C13 | C18 | sing | 1.39Å | 1.44Å | Aromatic |
| C13 | C12 | sing | 1.51Å | 1.51Å | |
| C2 | C3 | doub | 1.39Å | 1.43Å | Aromatic |
| N1 | C4 | doub | 1.33Å | 1.38Å | Aromatic |
| C18 | C19 | sing | 1.48Å | 1.48Å | |
| C11 | N2 | sing | 1.35Å | 1.40Å | |
| C11 | N3 | sing | 1.35Å | 1.40Å | |
| C3 | C4 | sing | 1.40Å | 1.45Å | Aromatic |
| C3 | N2 | sing | 1.40Å | 1.40Å | |
| C4 | C5 | sing | 1.48Å | 1.49Å | |
| C6 | C7 | doub | 1.38Å | 1.41Å | Aromatic |
| C6 | C5 | sing | 1.39Å | 1.44Å | Aromatic |
| C12 | N3 | sing | 1.46Å | 1.45Å | |
| C12 | C20 | sing | 1.51Å | 1.51Å | |
| C7 | C8 | sing | 1.38Å | 1.43Å | Aromatic |
| C5 | C10 | doub | 1.39Å | 1.44Å | Aromatic |
| C19 | C20 | doub | 1.39Å | 1.44Å | Aromatic |
| C19 | C24 | sing | 1.40Å | 1.40Å | Aromatic |
| C20 | C21 | sing | 1.38Å | 1.39Å | Aromatic |
| C8 | C9 | doub | 1.38Å | 1.42Å | Aromatic |
| C10 | C9 | sing | 1.38Å | 1.41Å | Aromatic |
| C24 | C23 | doub | 1.38Å | 1.42Å | Aromatic |
| C21 | C22 | doub | 1.38Å | 1.42Å | Aromatic |
| C23 | C22 | sing | 1.38Å | 1.43Å | Aromatic |
| C2 | H1 | sing | 1.08Å | 1.08Å | |
| C7 | H2 | sing | 1.08Å | 1.08Å | |
| C9 | H3 | sing | 1.08Å | 1.08Å | |
| C10 | H4 | sing | 1.08Å | 1.08Å | |
| C12 | H5 | sing | 1.09Å | 1.10Å | |
| C15 | H6 | sing | 1.08Å | 1.08Å | |
| C21 | H7 | sing | 1.08Å | 1.08Å | |
| C22 | H8 | sing | 1.08Å | 1.08Å | |
| N2 | H9 | sing | 0.97Å | 1.00Å | |
| C8 | H10 | sing | 1.08Å | 1.08Å | |
| C6 | H11 | sing | 1.08Å | 1.08Å | |
| C | H12 | sing | 1.09Å | 1.10Å | |
| C | H13 | sing | 1.09Å | 1.10Å | |
| C | H14 | sing | 1.09Å | 1.10Å | |
| N3 | H15 | sing | 0.97Å | 1.00Å | |
| C23 | H16 | sing | 1.08Å | 1.08Å | |
| C24 | H17 | sing | 1.08Å | 1.08Å | |
| C17 | H18 | sing | 1.08Å | 1.08Å | |
| C16 | H19 | sing | 1.08Å | 1.08Å | |
| C14 | H20 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C16 | C15 | C14 | 120.4° | 120.1° |
| C15 | C16 | C17 | 121.4° | 120.2° |
| C16 | C15 | H6 | 119.8° | 119.9° |
| C15 | C16 | H19 | 119.3° | 119.9° |
| C15 | C14 | C13 | 117.9° | 120.1° |
| C14 | C15 | H6 | 119.8° | 120.0° |
| C15 | C14 | H20 | 121.0° | 120.0° |
| C16 | C17 | C18 | 118.3° | 120.0° |
| C16 | C17 | H18 | 120.8° | 120.0° |
| C17 | C16 | H19 | 119.3° | 119.9° |
| C14 | C13 | C18 | 122.1° | 120.3° |
| C14 | C13 | C12 | 128.5° | 132.2° |
| C13 | C14 | H20 | 121.1° | 120.0° |
| C | C1 | N | 117.7° | 118.9° |
| C | C1 | N1 | 116.5° | 119.0° |
| C1 | C | H12 | 109.5° | 109.5° |
| C1 | C | H13 | 109.5° | 109.5° |
| C1 | C | H14 | 109.4° | 109.5° |
| O | C11 | N2 | 123.5° | 120.0° |
| O | C11 | N3 | 122.5° | 120.0° |
| C1 | N | C2 | 116.7° | 121.1° |
| N | C1 | N1 | 125.8° | 122.1° |
| N | C2 | C3 | 122.7° | 119.0° |
| N | C2 | H1 | 118.6° | 120.5° |
| C17 | C18 | C13 | 119.9° | 119.4° |
| C17 | C18 | C19 | 131.7° | 131.2° |
| C18 | C17 | H18 | 120.9° | 120.1° |
| C1 | N1 | C4 | 116.8° | 120.8° |
| C18 | C13 | C12 | 109.3° | 107.6° |
| C13 | C18 | C19 | 108.4° | 109.4° |
| C13 | C12 | N3 | 113.8° | 110.1° |
| C13 | C12 | C20 | 104.2° | 106.0° |
| C13 | C12 | H5 | 107.5° | 110.2° |
| C2 | C3 | C4 | 116.7° | 118.2° |
| C2 | C3 | N2 | 122.5° | 120.9° |
| C3 | C2 | H1 | 118.7° | 120.5° |
| N1 | C4 | C3 | 121.2° | 118.8° |
| N1 | C4 | C5 | 114.6° | 120.6° |
| C18 | C19 | C20 | 108.2° | 109.5° |
| C18 | C19 | C24 | 131.8° | 131.2° |
| N2 | C11 | N3 | 114.0° | 120.0° |
| C11 | N2 | C3 | 124.1° | 120.0° |
| C11 | N2 | H9 | 117.9° | 120.1° |
| C11 | N3 | C12 | 117.8° | 120.0° |
| C11 | N3 | H15 | 121.1° | 120.0° |
| C4 | C3 | N2 | 120.8° | 121.0° |
| C3 | C4 | C5 | 124.0° | 120.6° |
| C3 | N2 | H9 | 117.9° | 119.9° |
| C4 | C5 | C6 | 119.6° | 120.1° |
| C4 | C5 | C10 | 120.6° | 120.2° |
| C7 | C6 | C5 | 119.7° | 119.9° |
| C6 | C7 | C8 | 120.0° | 120.1° |
| C6 | C7 | H2 | 120.0° | 119.9° |
| C7 | C6 | H11 | 120.2° | 120.1° |
| C6 | C5 | C10 | 119.8° | 119.7° |
| C5 | C6 | H11 | 120.2° | 120.0° |
| N3 | C12 | C20 | 115.1° | 110.1° |
| N3 | C12 | H5 | 108.3° | 110.2° |
| C12 | N3 | H15 | 121.1° | 120.0° |
| C12 | C20 | C19 | 109.1° | 107.5° |
| C12 | C20 | C21 | 128.3° | 132.2° |
| C20 | C12 | H5 | 107.6° | 110.1° |
| C7 | C8 | C9 | 121.0° | 120.3° |
| C8 | C7 | H2 | 120.0° | 120.0° |
| C7 | C8 | H10 | 119.5° | 119.9° |
| C5 | C10 | C9 | 120.0° | 119.9° |
| C5 | C10 | H4 | 120.0° | 120.0° |
| C20 | C19 | C24 | 120.0° | 119.4° |
| C19 | C20 | C21 | 122.4° | 120.3° |
| C19 | C24 | C23 | 118.3° | 120.0° |
| C19 | C24 | H17 | 120.8° | 120.0° |
| C20 | C21 | C22 | 117.4° | 120.0° |
| C20 | C21 | H7 | 121.3° | 120.0° |
| C8 | C9 | C10 | 119.5° | 120.1° |
| C8 | C9 | H3 | 120.3° | 119.9° |
| C9 | C8 | H10 | 119.5° | 119.9° |
| C10 | C9 | H3 | 120.2° | 120.0° |
| C9 | C10 | H4 | 120.0° | 120.0° |
| C24 | C23 | C22 | 121.2° | 120.2° |
| C24 | C23 | H16 | 119.4° | 119.9° |
| C23 | C24 | H17 | 120.9° | 120.0° |
| C21 | C22 | C23 | 120.7° | 120.1° |
| C22 | C21 | H7 | 121.3° | 120.0° |
| C21 | C22 | H8 | 119.6° | 120.0° |
| C23 | C22 | H8 | 119.7° | 119.9° |
| C22 | C23 | H16 | 119.4° | 119.9° |
| H12 | C | H13 | 109.4° | 109.5° |
| H12 | C | H14 | 109.5° | 109.4° |
| H13 | C | H14 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C16 | C15 | C14 | H6 | 180.0° | 179.9° |
| C15 | C16 | C17 | H19 | 180.0° | 179.9° |
| C16 | C15 | C14 | C13 | 0.6° | 0.0° |
| C15 | C16 | C17 | C18 | 0.5° | 0.0° |
| C15 | C16 | C17 | H18 | 179.5° | 180.0° |
| C16 | C15 | C14 | H20 | 179.4° | 180.0° |
| C14 | C15 | C16 | C17 | 0.2° | 0.1° |
| C15 | C14 | C13 | H20 | 180.0° | 179.9° |
| C15 | C14 | C13 | C18 | 1.1° | 0.0° |
| C15 | C14 | C13 | C12 | 174.2° | 180.0° |
| C14 | C15 | C16 | H19 | 179.8° | 180.0° |
| C16 | C17 | C18 | H18 | 180.0° | 180.0° |
| C16 | C17 | C18 | C13 | 0.1° | 0.0° |
| C16 | C17 | C18 | C19 | 177.8° | 180.0° |
| C17 | C16 | C15 | H6 | 179.8° | 180.0° |
| C14 | C13 | C18 | C17 | 0.7° | 0.0° |
| C14 | C13 | C18 | C12 | 176.1° | 180.0° |
| C14 | C13 | C18 | C19 | 179.1° | 180.0° |
| C14 | C13 | C12 | N3 | 50.7° | 60.8° |
| C14 | C13 | C12 | C20 | 176.9° | 180.0° |
| C14 | C13 | C12 | H5 | 69.1° | 60.9° |
| C13 | C14 | C15 | H6 | 179.4° | 180.0° |
| C | C1 | N | N1 | 178.3° | 179.5° |
| C | C1 | N | C2 | 176.8° | 180.0° |
| C | C1 | N1 | C4 | 178.1° | 179.7° |
| C1 | C | H12 | H13 | 120.0° | 120.0° |
| C1 | C | H12 | H14 | 120.0° | 120.0° |
| C1 | C | H13 | H14 | 120.0° | 120.0° |
| O | C11 | N2 | N3 | 179.4° | 179.9° |
| O | C11 | N2 | C3 | 1.9° | 4.9° |
| O | C11 | N3 | C12 | 14.9° | 0.0° |
| O | C11 | N2 | H9 | 178.1° | 175.0° |
| O | C11 | N3 | H15 | 165.2° | 180.0° |
| C1 | N | C2 | C3 | 1.0° | 0.0° |
| N | C1 | N1 | C4 | 0.3° | 0.8° |
| C1 | N | C2 | H1 | 178.9° | 179.7° |
| N | C1 | C | H12 | 0.0° | 90.0° |
| N | C1 | C | H13 | 120.0° | 150.0° |
| N | C1 | C | H14 | 120.0° | 30.0° |
| C2 | N | C1 | N1 | 1.5° | 0.5° |
| N | C2 | C3 | H1 | 180.0° | 179.7° |
| N | C2 | C3 | C4 | 0.5° | 0.3° |
| N | C2 | C3 | N2 | 180.0° | 179.7° |
| C17 | C18 | C13 | C19 | 178.3° | 180.0° |
| C17 | C18 | C13 | C12 | 175.4° | 180.0° |
| C17 | C18 | C19 | C20 | 179.0° | 179.9° |
| C17 | C18 | C19 | C24 | 0.8° | 0.0° |
| C18 | C17 | C16 | H19 | 179.5° | 180.0° |
| C1 | N1 | C4 | C3 | 1.4° | 0.5° |
| C1 | N1 | C4 | C5 | 174.6° | 179.4° |
| N1 | C1 | C | H12 | 178.5° | 89.5° |
| N1 | C1 | C | H13 | 58.5° | 30.5° |
| N1 | C1 | C | H14 | 61.5° | 150.6° |
| C18 | C13 | C12 | N3 | 133.5° | 119.1° |
| C18 | C13 | C12 | C20 | 7.3° | 0.0° |
| C13 | C18 | C19 | C20 | 2.9° | 0.1° |
| C13 | C18 | C19 | C24 | 178.9° | 180.0° |
| C18 | C13 | C12 | H5 | 106.6° | 119.2° |
| C13 | C18 | C17 | H18 | 179.9° | 180.0° |
| C18 | C13 | C14 | H20 | 178.9° | 179.9° |
| C12 | C13 | C18 | C19 | 3.0° | 0.0° |
| C13 | C12 | N3 | C11 | 108.3° | 88.4° |
| C13 | C12 | N3 | C20 | 120.2° | 116.6° |
| C13 | C12 | N3 | H5 | 119.4° | 121.7° |
| C13 | C12 | C20 | H5 | 113.9° | 119.2° |
| C13 | C12 | C20 | C19 | 9.1° | 0.0° |
| C13 | C12 | C20 | C21 | 175.1° | 180.0° |
| C13 | C12 | N3 | H15 | 71.7° | 91.6° |
| C12 | C13 | C14 | H20 | 5.8° | 0.1° |
| C2 | C3 | C4 | N1 | 1.8° | 0.0° |
| C2 | C3 | N2 | C11 | 117.2° | 34.0° |
| C2 | C3 | C4 | N2 | 179.5° | 180.0° |
| C2 | C3 | C4 | C5 | 173.8° | 180.0° |
| C2 | C3 | N2 | H9 | 62.7° | 146.0° |
| N1 | C4 | C3 | C5 | 175.6° | 180.0° |
| N1 | C4 | C3 | N2 | 178.7° | 180.0° |
| N1 | C4 | C5 | C6 | 41.7° | 137.7° |
| N1 | C4 | C5 | C10 | 137.1° | 42.6° |
| C18 | C19 | C20 | C12 | 7.7° | 0.1° |
| C18 | C19 | C20 | C24 | 178.5° | 179.9° |
| C18 | C19 | C20 | C21 | 176.3° | 180.0° |
| C18 | C19 | C24 | C23 | 177.6° | 179.9° |
| C18 | C19 | C24 | H17 | 2.4° | 0.1° |
| C19 | C18 | C17 | H18 | 2.2° | 0.0° |
| C11 | N2 | C3 | C4 | 63.3° | 146.0° |
| C11 | N2 | C3 | H9 | 180.0° | 180.0° |
| N2 | C11 | N3 | C12 | 165.8° | 180.0° |
| N2 | C11 | N3 | H15 | 14.2° | 0.0° |
| N3 | C11 | N2 | C3 | 178.7° | 175.0° |
| C11 | N3 | C12 | H15 | 180.0° | 180.0° |
| C11 | N3 | C12 | C20 | 131.6° | 155.0° |
| C11 | N3 | C12 | H5 | 11.2° | 33.4° |
| N3 | C11 | N2 | H9 | 1.3° | 5.0° |
| C3 | C4 | C5 | C6 | 142.4° | 42.4° |
| C3 | C4 | C5 | C10 | 38.8° | 137.4° |
| C4 | C3 | C2 | H1 | 179.5° | 180.0° |
| C4 | C3 | N2 | H9 | 116.7° | 34.0° |
| N2 | C3 | C4 | C5 | 5.7° | 0.0° |
| N2 | C3 | C2 | H1 | 0.0° | 0.0° |
| C4 | C5 | C6 | C7 | 178.9° | 179.7° |
| C4 | C5 | C6 | C10 | 178.9° | 179.7° |
| C4 | C5 | C10 | C9 | 179.2° | 180.0° |
| C4 | C5 | C10 | H4 | 0.8° | 0.0° |
| C4 | C5 | C6 | H11 | 1.1° | 0.3° |
| C7 | C6 | C5 | H11 | 180.0° | 180.0° |
| C6 | C7 | C8 | H2 | 180.0° | 179.7° |
| C7 | C6 | C5 | C10 | 0.1° | 0.0° |
| C6 | C7 | C8 | C9 | 0.2° | 0.3° |
| C6 | C7 | C8 | H10 | 179.8° | 179.8° |
| C5 | C6 | C7 | C8 | 0.2° | 0.0° |
| C6 | C5 | C10 | C9 | 0.3° | 0.3° |
| C5 | C6 | C7 | H2 | 179.8° | 179.7° |
| C6 | C5 | C10 | H4 | 179.7° | 179.7° |
| N3 | C12 | C20 | H5 | 120.8° | 121.7° |
| N3 | C12 | C20 | C19 | 134.4° | 119.2° |
| N3 | C12 | C20 | C21 | 49.8° | 60.9° |
| C12 | C20 | C19 | C21 | 176.0° | 180.0° |
| C12 | C20 | C19 | C24 | 173.9° | 180.0° |
| C12 | C20 | C21 | C22 | 173.0° | 180.0° |
| C12 | C20 | C21 | H7 | 7.0° | 0.0° |
| C20 | C12 | N3 | H15 | 48.4° | 25.0° |
| C7 | C8 | C9 | H10 | 180.0° | 180.0° |
| C7 | C8 | C9 | C10 | 0.0° | 0.6° |
| C7 | C8 | C9 | H3 | 180.0° | 180.0° |
| C8 | C7 | C6 | H11 | 179.8° | 180.0° |
| C5 | C10 | C9 | C8 | 0.3° | 0.6° |
| C5 | C10 | C9 | H4 | 180.0° | 180.0° |
| C5 | C10 | C9 | H3 | 179.7° | 180.0° |
| C10 | C5 | C6 | H11 | 179.9° | 180.0° |
| C20 | C19 | C24 | C23 | 0.4° | 0.0° |
| C19 | C20 | C21 | C22 | 2.2° | 0.0° |
| C19 | C20 | C12 | H5 | 104.8° | 119.1° |
| C19 | C20 | C21 | H7 | 177.8° | 179.9° |
| C20 | C19 | C24 | H17 | 179.5° | 180.0° |
| C24 | C19 | C20 | C21 | 2.2° | 0.1° |
| C19 | C24 | C23 | H17 | 180.0° | 180.0° |
| C19 | C24 | C23 | C22 | 1.1° | 0.0° |
| C19 | C24 | C23 | H16 | 178.9° | 180.0° |
| C20 | C21 | C22 | H7 | 180.0° | 180.0° |
| C20 | C21 | C22 | C23 | 0.7° | 0.0° |
| C21 | C20 | C12 | H5 | 71.0° | 60.8° |
| C20 | C21 | C22 | H8 | 179.3° | 180.0° |
| C8 | C9 | C10 | H3 | 180.0° | 179.4° |
| C9 | C8 | C7 | H2 | 179.8° | 180.0° |
| C8 | C9 | C10 | H4 | 179.7° | 179.4° |
| C10 | C9 | C8 | H10 | 180.0° | 179.5° |
| C24 | C23 | C22 | C21 | 1.0° | 0.0° |
| C24 | C23 | C22 | H16 | 180.0° | 180.0° |
| C24 | C23 | C22 | H8 | 179.0° | 180.0° |
| C21 | C22 | C23 | H8 | 180.0° | 180.0° |
| C21 | C22 | C23 | H16 | 179.0° | 180.0° |
| C23 | C22 | C21 | H7 | 179.3° | 180.0° |
| C22 | C23 | C24 | H17 | 178.9° | 180.0° |
| H2 | C7 | C8 | H10 | 0.2° | 0.1° |
| H2 | C7 | C6 | H11 | 0.2° | 0.3° |
| H3 | C9 | C10 | H4 | 0.3° | 0.0° |
| H3 | C9 | C8 | H10 | 0.0° | 0.0° |
| H5 | C12 | N3 | H15 | 168.8° | 146.6° |
| H6 | C15 | C16 | H19 | 0.2° | 0.1° |
| H6 | C15 | C14 | H20 | 0.6° | 0.1° |
| H7 | C21 | C22 | H8 | 0.7° | 0.0° |
| H8 | C22 | C23 | H16 | 1.0° | 0.0° |
| H12 | C | H13 | H14 | 120.0° | 119.9° |
| H16 | C23 | C24 | H17 | 1.1° | 0.0° |
| H18 | C17 | C16 | H19 | 0.5° | 0.1° |
