QU6
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N5 | C24 | doub | 1.30Å | 1.32Å | Aromatic |
| N5 | N6 | sing | 1.40Å | 1.37Å | Aromatic |
| C25 | N6 | sing | 1.47Å | 1.46Å | |
| C24 | C23 | sing | 1.41Å | 1.41Å | Aromatic |
| N6 | C22 | sing | 1.36Å | 1.35Å | Aromatic |
| C23 | C22 | doub | 1.41Å | 1.40Å | Aromatic |
| C23 | C15 | sing | 1.41Å | 1.43Å | Aromatic |
| C22 | N4 | sing | 1.33Å | 1.34Å | Aromatic |
| N4 | C16 | doub | 1.32Å | 1.34Å | Aromatic |
| C15 | N1 | sing | 1.38Å | 1.36Å | |
| C15 | N2 | doub | 1.33Å | 1.34Å | Aromatic |
| N1 | C14 | sing | 1.40Å | 1.36Å | |
| C | C1 | sing | 1.51Å | 1.51Å | |
| C16 | N2 | sing | 1.33Å | 1.35Å | Aromatic |
| C16 | C17 | sing | 1.48Å | 1.48Å | |
| C14 | C1 | doub | 1.39Å | 1.41Å | Aromatic |
| C14 | C13 | sing | 1.39Å | 1.39Å | Aromatic |
| C1 | C2 | sing | 1.38Å | 1.40Å | Aromatic |
| C13 | C4 | doub | 1.40Å | 1.39Å | Aromatic |
| C18 | C17 | doub | 1.40Å | 1.39Å | Aromatic |
| C18 | C19 | sing | 1.38Å | 1.38Å | Aromatic |
| C17 | C21 | sing | 1.39Å | 1.39Å | Aromatic |
| C2 | C3 | doub | 1.38Å | 1.38Å | Aromatic |
| C4 | C3 | sing | 1.40Å | 1.39Å | Aromatic |
| C4 | C5 | sing | 1.48Å | 1.49Å | |
| C19 | C20 | doub | 1.38Å | 1.38Å | Aromatic |
| C21 | N3 | doub | 1.32Å | 1.34Å | Aromatic |
| O1 | C5 | doub | 1.22Å | 1.23Å | |
| C5 | N | sing | 1.35Å | 1.35Å | |
| C20 | N3 | sing | 1.32Å | 1.34Å | Aromatic |
| O | C9 | sing | 1.43Å | 1.44Å | |
| O | C8 | sing | 1.36Å | 1.38Å | |
| C7 | C8 | doub | 1.39Å | 1.39Å | Aromatic |
| C7 | C6 | sing | 1.39Å | 1.39Å | Aromatic |
| N | C6 | sing | 1.40Å | 1.41Å | |
| C8 | C10 | sing | 1.39Å | 1.39Å | Aromatic |
| C6 | C12 | doub | 1.39Å | 1.39Å | Aromatic |
| C12 | C11 | sing | 1.38Å | 1.38Å | Aromatic |
| C10 | C11 | doub | 1.38Å | 1.38Å | Aromatic |
| N1 | H14 | sing | 0.97Å | 1.00Å | |
| C7 | H6 | sing | 1.08Å | 1.08Å | |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| C13 | H13 | sing | 1.08Å | 1.08Å | |
| C20 | H17 | sing | 1.08Å | 1.08Å | |
| C21 | H18 | sing | 1.08Å | 1.08Å | |
| C24 | H19 | sing | 1.08Å | 1.08Å | |
| N | H5 | sing | 0.97Å | 1.00Å | |
| C | H2 | sing | 1.09Å | 1.10Å | |
| C | H1 | sing | 1.09Å | 1.10Å | |
| C | H | sing | 1.09Å | 1.10Å | |
| C11 | H11 | sing | 1.08Å | 1.08Å | |
| C12 | H12 | sing | 1.08Å | 1.08Å | |
| C18 | H15 | sing | 1.08Å | 1.08Å | |
| C19 | H16 | sing | 1.08Å | 1.08Å | |
| C2 | H3 | sing | 1.08Å | 1.08Å | |
| C25 | H22 | sing | 1.09Å | 1.10Å | |
| C25 | H20 | sing | 1.09Å | 1.10Å | |
| C25 | H21 | sing | 1.09Å | 1.10Å | |
| C3 | H4 | sing | 1.08Å | 1.08Å | |
| C9 | H9 | sing | 1.09Å | 1.10Å | |
| C9 | H8 | sing | 1.09Å | 1.10Å | |
| C9 | H7 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C24 | N5 | N6 | 106.1° | 109.7° |
| N5 | C24 | C23 | 111.4° | 108.5° |
| N5 | C24 | H19 | 124.3° | 125.7° |
| N5 | N6 | C25 | 120.8° | 125.9° |
| N5 | N6 | C22 | 111.1° | 108.3° |
| C25 | N6 | C22 | 128.1° | 125.9° |
| N6 | C25 | H22 | 109.5° | 109.5° |
| N6 | C25 | H20 | 109.5° | 109.5° |
| N6 | C25 | H21 | 109.5° | 109.4° |
| C24 | C23 | C22 | 104.3° | 107.0° |
| C24 | C23 | C15 | 141.4° | 134.6° |
| C23 | C24 | H19 | 124.3° | 125.8° |
| N6 | C22 | C23 | 107.1° | 106.5° |
| N6 | C22 | N4 | 127.0° | 134.5° |
| C22 | C23 | C15 | 114.1° | 118.4° |
| C23 | C22 | N4 | 125.9° | 118.9° |
| C23 | C15 | N1 | 122.2° | 120.8° |
| C23 | C15 | N2 | 120.9° | 118.5° |
| C22 | N4 | C16 | 114.6° | 120.6° |
| N4 | C16 | N2 | 125.9° | 122.5° |
| N4 | C16 | C17 | 117.8° | 118.8° |
| N1 | C15 | N2 | 115.6° | 120.7° |
| C15 | N1 | C14 | 137.0° | 120.0° |
| C15 | N1 | H14 | 111.5° | 120.0° |
| C15 | N2 | C16 | 118.5° | 121.1° |
| N1 | C14 | C1 | 118.9° | 120.0° |
| N1 | C14 | C13 | 120.7° | 120.0° |
| C14 | N1 | H14 | 111.5° | 120.0° |
| C | C1 | C14 | 121.2° | 119.8° |
| C | C1 | C2 | 120.7° | 119.9° |
| C1 | C | H2 | 109.5° | 109.5° |
| C1 | C | H1 | 109.5° | 109.5° |
| C1 | C | H | 109.5° | 109.4° |
| N2 | C16 | C17 | 116.2° | 118.8° |
| C16 | C17 | C18 | 121.2° | 120.6° |
| C16 | C17 | C21 | 122.1° | 120.5° |
| C1 | C14 | C13 | 119.4° | 120.0° |
| C14 | C1 | C2 | 118.0° | 120.2° |
| C14 | C13 | C4 | 121.7° | 119.8° |
| C14 | C13 | H13 | 119.2° | 120.1° |
| C1 | C2 | C3 | 121.8° | 120.2° |
| C1 | C2 | H3 | 119.1° | 119.8° |
| C13 | C4 | C3 | 118.8° | 119.7° |
| C13 | C4 | C5 | 113.4° | 120.1° |
| C4 | C13 | H13 | 119.2° | 120.1° |
| C17 | C18 | C19 | 120.1° | 118.3° |
| C18 | C17 | C21 | 116.7° | 118.9° |
| C17 | C18 | H15 | 120.0° | 120.8° |
| C18 | C19 | C20 | 118.4° | 119.3° |
| C19 | C18 | H15 | 119.9° | 120.8° |
| C18 | C19 | H16 | 120.8° | 120.4° |
| C17 | C21 | N3 | 124.2° | 120.6° |
| C17 | C21 | H18 | 117.9° | 119.7° |
| C2 | C3 | C4 | 120.1° | 120.0° |
| C3 | C2 | H3 | 119.1° | 119.9° |
| C2 | C3 | H4 | 119.9° | 120.0° |
| C3 | C4 | C5 | 127.6° | 120.1° |
| C4 | C3 | H4 | 119.9° | 119.9° |
| C4 | C5 | O1 | 120.2° | 120.0° |
| C4 | C5 | N | 117.5° | 120.0° |
| C19 | C20 | N3 | 123.2° | 121.0° |
| C19 | C20 | H17 | 118.4° | 119.5° |
| C20 | C19 | H16 | 120.8° | 120.3° |
| C21 | N3 | C20 | 117.4° | 121.8° |
| N3 | C21 | H18 | 117.9° | 119.7° |
| O1 | C5 | N | 122.2° | 120.0° |
| C5 | N | C6 | 126.8° | 120.0° |
| C5 | N | H5 | 116.6° | 120.0° |
| N3 | C20 | H17 | 118.4° | 119.4° |
| C9 | O | C8 | 117.1° | 117.0° |
| O | C9 | H9 | 109.5° | 109.5° |
| O | C9 | H8 | 109.5° | 109.5° |
| O | C9 | H7 | 109.4° | 109.5° |
| O | C8 | C7 | 116.0° | 120.1° |
| O | C8 | C10 | 123.7° | 120.0° |
| C8 | C7 | C6 | 119.7° | 119.9° |
| C7 | C8 | C10 | 120.3° | 119.9° |
| C8 | C7 | H6 | 120.2° | 120.1° |
| C7 | C6 | N | 119.7° | 120.0° |
| C7 | C6 | C12 | 119.8° | 119.8° |
| C6 | C7 | H6 | 120.1° | 120.0° |
| N | C6 | C12 | 120.4° | 120.1° |
| C6 | N | H5 | 116.6° | 120.1° |
| C8 | C10 | C11 | 119.4° | 120.1° |
| C8 | C10 | H10 | 120.3° | 119.9° |
| C6 | C12 | C11 | 119.8° | 120.1° |
| C6 | C12 | H12 | 120.1° | 119.9° |
| C12 | C11 | C10 | 120.6° | 120.1° |
| C12 | C11 | H11 | 119.7° | 120.0° |
| C11 | C12 | H12 | 120.1° | 120.0° |
| C11 | C10 | H10 | 120.3° | 120.0° |
| C10 | C11 | H11 | 119.7° | 119.9° |
| H2 | C | H1 | 109.5° | 109.5° |
| H2 | C | H | 109.5° | 109.4° |
| H1 | C | H | 109.5° | 109.5° |
| H22 | C25 | H20 | 109.4° | 109.5° |
| H22 | C25 | H21 | 109.5° | 109.5° |
| H20 | C25 | H21 | 109.5° | 109.4° |
| H9 | C9 | H8 | 109.5° | 109.4° |
| H9 | C9 | H7 | 109.5° | 109.5° |
| H8 | C9 | H7 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C24 | N5 | N6 | C25 | 179.5° | 180.0° |
| N5 | C24 | C23 | H19 | 180.0° | 179.9° |
| C24 | N5 | N6 | C22 | 0.4° | 0.3° |
| N5 | C24 | C23 | C22 | 0.7° | 0.0° |
| N5 | C24 | C23 | C15 | 173.9° | 180.0° |
| N5 | N6 | C25 | C22 | 179.9° | 179.6° |
| N6 | N5 | C24 | C23 | 0.7° | 0.2° |
| N5 | N6 | C22 | C23 | 0.0° | 0.3° |
| N5 | N6 | C22 | N4 | 178.6° | 179.9° |
| N6 | N5 | C24 | H19 | 179.4° | 179.7° |
| N5 | N6 | C25 | H22 | 0.0° | 90.0° |
| N5 | N6 | C25 | H20 | 120.0° | 150.0° |
| N5 | N6 | C25 | H21 | 120.0° | 30.0° |
| C25 | N6 | C22 | C23 | 180.0° | 180.0° |
| C25 | N6 | C22 | N4 | 1.5° | 0.3° |
| N6 | C25 | H22 | H20 | 120.0° | 120.0° |
| N6 | C25 | H22 | H21 | 120.0° | 120.0° |
| N6 | C25 | H20 | H21 | 120.0° | 119.9° |
| C24 | C23 | C22 | N6 | 0.4° | 0.2° |
| C24 | C23 | C22 | C15 | 176.3° | 180.0° |
| C24 | C23 | C22 | N4 | 179.0° | 180.0° |
| C24 | C23 | C15 | N1 | 17.2° | 0.1° |
| C24 | C23 | C15 | N2 | 176.1° | 179.7° |
| N6 | C22 | C23 | N4 | 178.6° | 179.8° |
| N6 | C22 | C23 | C15 | 175.9° | 179.8° |
| N6 | C22 | N4 | C16 | 177.8° | 180.0° |
| C22 | N6 | C25 | H22 | 179.9° | 89.6° |
| C22 | N6 | C25 | H20 | 60.1° | 30.5° |
| C22 | N6 | C25 | H21 | 59.9° | 150.4° |
| C23 | C22 | N4 | C16 | 0.5° | 0.3° |
| C22 | C23 | C15 | N1 | 168.5° | 180.0° |
| C22 | C23 | C15 | N2 | 1.8° | 0.2° |
| C22 | C23 | C24 | H19 | 179.3° | 180.0° |
| C15 | C23 | C22 | N4 | 2.7° | 0.0° |
| C23 | C15 | N1 | N2 | 167.4° | 179.8° |
| C23 | C15 | N1 | C14 | 166.6° | 173.3° |
| C23 | C15 | N2 | C16 | 1.0° | 0.2° |
| C23 | C15 | N1 | H14 | 13.5° | 6.4° |
| C15 | C23 | C24 | H19 | 6.1° | 0.1° |
| C22 | N4 | C16 | N2 | 2.9° | 0.4° |
| C22 | N4 | C16 | C17 | 175.0° | 179.7° |
| N4 | C16 | N2 | C15 | 3.7° | 0.1° |
| N4 | C16 | N2 | C17 | 177.9° | 179.9° |
| N4 | C16 | C17 | C18 | 4.3° | 174.7° |
| N4 | C16 | C17 | C21 | 176.4° | 5.3° |
| C15 | N1 | C14 | H14 | 180.0° | 179.8° |
| N1 | C15 | N2 | C16 | 166.5° | 180.0° |
| C15 | N1 | C14 | C1 | 109.1° | 155.4° |
| C15 | N1 | C14 | C13 | 59.7° | 24.6° |
| N2 | C15 | N1 | C14 | 26.1° | 6.4° |
| C15 | N2 | C16 | C17 | 174.2° | 180.0° |
| N2 | C15 | N1 | H14 | 153.9° | 173.8° |
| N1 | C14 | C1 | C | 9.7° | 0.3° |
| N1 | C14 | C1 | C13 | 168.9° | 180.0° |
| N1 | C14 | C1 | C2 | 169.3° | 179.7° |
| N1 | C14 | C13 | C4 | 173.3° | 179.9° |
| N1 | C14 | C13 | H13 | 6.7° | 0.0° |
| C | C1 | C14 | C2 | 179.1° | 179.4° |
| C | C1 | C14 | C13 | 178.6° | 179.7° |
| C | C1 | C2 | C3 | 178.0° | 180.0° |
| C1 | C | H2 | H1 | 120.0° | 120.0° |
| C1 | C | H2 | H | 120.0° | 119.9° |
| C1 | C | H1 | H | 120.0° | 120.0° |
| C | C1 | C2 | H3 | 1.9° | 0.0° |
| N2 | C16 | C17 | C18 | 173.8° | 5.2° |
| N2 | C16 | C17 | C21 | 5.5° | 174.8° |
| C16 | C17 | C18 | C21 | 179.4° | 180.0° |
| C16 | C17 | C18 | C19 | 179.5° | 180.0° |
| C16 | C17 | C21 | N3 | 179.5° | 180.0° |
| C16 | C17 | C21 | H18 | 0.4° | 0.0° |
| C16 | C17 | C18 | H15 | 0.5° | 0.0° |
| C1 | C14 | C13 | C4 | 4.6° | 0.1° |
| C14 | C1 | C2 | C3 | 2.9° | 0.6° |
| C1 | C14 | N1 | H14 | 70.9° | 24.8° |
| C1 | C14 | C13 | H13 | 175.4° | 180.0° |
| C14 | C1 | C | H2 | 89.5° | 89.5° |
| C14 | C1 | C | H1 | 150.5° | 30.5° |
| C14 | C1 | C | H | 30.5° | 150.6° |
| C14 | C1 | C2 | H3 | 177.1° | 179.5° |
| C13 | C14 | C1 | C2 | 0.4° | 0.3° |
| C14 | C13 | C4 | H13 | 180.0° | 179.9° |
| C14 | C13 | C4 | C3 | 5.4° | 0.1° |
| C14 | C13 | C4 | C5 | 169.4° | 179.7° |
| C13 | C14 | N1 | H14 | 120.3° | 155.2° |
| C1 | C2 | C3 | H3 | 180.0° | 180.0° |
| C1 | C2 | C3 | C4 | 2.1° | 0.6° |
| C2 | C1 | C | H2 | 89.5° | 89.9° |
| C2 | C1 | C | H1 | 30.5° | 150.1° |
| C2 | C1 | C | H | 150.5° | 30.0° |
| C1 | C2 | C3 | H4 | 177.9° | 179.5° |
| C13 | C4 | C3 | C2 | 2.0° | 0.3° |
| C13 | C4 | C3 | C5 | 174.0° | 179.6° |
| C13 | C4 | C5 | O1 | 10.8° | 5.6° |
| C13 | C4 | C5 | N | 171.5° | 174.5° |
| C13 | C4 | C3 | H4 | 178.0° | 179.8° |
| C17 | C18 | C19 | H15 | 180.0° | 180.0° |
| C17 | C18 | C19 | C20 | 0.0° | 0.0° |
| C18 | C17 | C21 | N3 | 0.2° | 0.0° |
| C18 | C17 | C21 | H18 | 179.8° | 180.0° |
| C17 | C18 | C19 | H16 | 180.0° | 180.0° |
| C19 | C18 | C17 | C21 | 0.1° | 0.0° |
| C18 | C19 | C20 | H16 | 180.0° | 179.9° |
| C18 | C19 | C20 | N3 | 0.0° | 0.1° |
| C18 | C19 | C20 | H17 | 180.0° | 180.0° |
| C17 | C21 | N3 | H18 | 180.0° | 180.0° |
| C17 | C21 | N3 | C20 | 0.1° | 0.1° |
| C21 | C17 | C18 | H15 | 179.9° | 180.0° |
| C2 | C3 | C4 | H4 | 180.0° | 179.9° |
| C2 | C3 | C4 | C5 | 172.0° | 179.9° |
| C3 | C4 | C5 | O1 | 175.0° | 174.8° |
| C3 | C4 | C5 | N | 2.8° | 5.1° |
| C3 | C4 | C13 | H13 | 174.6° | 180.0° |
| C4 | C3 | C2 | H3 | 177.9° | 179.5° |
| C4 | C5 | O1 | N | 177.7° | 179.9° |
| C4 | C5 | N | C6 | 167.6° | 174.8° |
| C5 | C4 | C13 | H13 | 10.6° | 0.4° |
| C4 | C5 | N | H5 | 12.4° | 5.3° |
| C5 | C4 | C3 | H4 | 8.0° | 0.1° |
| C19 | C20 | N3 | C21 | 0.0° | 0.1° |
| C19 | C20 | N3 | H17 | 180.0° | 179.9° |
| C20 | C19 | C18 | H15 | 180.0° | 180.0° |
| C21 | N3 | C20 | H17 | 179.9° | 180.0° |
| O1 | C5 | N | C6 | 14.7° | 5.3° |
| O1 | C5 | N | H5 | 165.4° | 174.6° |
| C5 | N | C6 | C7 | 20.2° | 152.1° |
| C5 | N | C6 | H5 | 180.0° | 180.0° |
| C5 | N | C6 | C12 | 164.2° | 27.7° |
| C20 | N3 | C21 | H18 | 179.8° | 180.0° |
| N3 | C20 | C19 | H16 | 180.0° | 180.0° |
| C9 | O | C8 | C7 | 168.4° | 180.0° |
| C9 | O | C8 | C10 | 10.6° | 0.0° |
| O | C9 | H9 | H8 | 120.0° | 120.0° |
| O | C9 | H9 | H7 | 120.0° | 120.1° |
| O | C9 | H8 | H7 | 120.0° | 120.1° |
| O | C8 | C7 | C10 | 179.0° | 180.0° |
| O | C8 | C7 | C6 | 179.1° | 180.0° |
| O | C8 | C10 | C11 | 177.6° | 180.0° |
| O | C8 | C7 | H6 | 0.9° | 0.0° |
| O | C8 | C10 | H10 | 2.4° | 0.0° |
| C8 | O | C9 | H9 | 180.0° | 180.0° |
| C8 | O | C9 | H8 | 60.0° | 60.0° |
| C8 | O | C9 | H7 | 60.0° | 60.0° |
| C8 | C7 | C6 | H6 | 180.0° | 179.9° |
| C8 | C7 | C6 | N | 178.9° | 179.8° |
| C8 | C7 | C6 | C12 | 5.4° | 0.0° |
| C7 | C8 | C10 | C11 | 3.5° | 0.0° |
| C7 | C8 | C10 | H10 | 176.5° | 180.0° |
| C7 | C6 | N | C12 | 175.6° | 179.8° |
| C6 | C7 | C8 | C10 | 0.1° | 0.0° |
| C7 | C6 | C12 | C11 | 7.6° | 0.0° |
| C7 | C6 | N | H5 | 159.7° | 27.9° |
| C7 | C6 | C12 | H12 | 172.4° | 180.0° |
| N | C6 | C12 | C11 | 176.8° | 179.7° |
| N | C6 | C7 | H6 | 1.1° | 0.2° |
| N | C6 | C12 | H12 | 3.2° | 0.3° |
| C8 | C10 | C11 | C12 | 1.3° | 0.0° |
| C8 | C10 | C11 | H10 | 180.0° | 180.0° |
| C10 | C8 | C7 | H6 | 179.9° | 179.9° |
| C8 | C10 | C11 | H11 | 178.7° | 180.0° |
| C6 | C12 | C11 | H12 | 180.0° | 180.0° |
| C6 | C12 | C11 | C10 | 4.3° | 0.0° |
| C12 | C6 | C7 | H6 | 174.6° | 179.9° |
| C12 | C6 | N | H5 | 15.8° | 152.4° |
| C6 | C12 | C11 | H11 | 175.8° | 179.9° |
| C12 | C11 | C10 | H11 | 180.0° | 180.0° |
| C12 | C11 | C10 | H10 | 178.7° | 180.0° |
| C10 | C11 | C12 | H12 | 175.8° | 180.0° |
| H10 | C10 | C11 | H11 | 1.3° | 0.0° |
| H17 | C20 | C19 | H16 | 0.0° | 0.1° |
| H2 | C | H1 | H | 120.0° | 120.0° |
| H11 | C11 | C12 | H12 | 4.2° | 0.1° |
| H15 | C18 | C19 | H16 | 0.0° | 0.0° |
| H3 | C2 | C3 | H4 | 2.1° | 0.5° |
| H22 | C25 | H20 | H21 | 120.0° | 120.0° |
| H9 | C9 | H8 | H7 | 120.0° | 120.0° |
