U5Q
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N15 | C19 | doub | 1.31Å | 1.33Å | Aromatic |
| N15 | C13 | sing | 1.34Å | 1.34Å | Aromatic |
| C17 | C13 | sing | 1.41Å | 1.37Å | Aromatic |
| C17 | C16 | doub | 1.36Å | 1.37Å | Aromatic |
| C19 | C21 | sing | 1.39Å | 1.37Å | Aromatic |
| C13 | C12 | doub | 1.42Å | 1.38Å | Aromatic |
| O10 | C8 | doub | 1.22Å | 1.26Å | |
| C16 | C14 | sing | 1.39Å | 1.37Å | Aromatic |
| C21 | C18 | doub | 1.37Å | 1.37Å | Aromatic |
| C12 | C18 | sing | 1.40Å | 1.38Å | Aromatic |
| C12 | C11 | sing | 1.41Å | 1.39Å | Aromatic |
| C14 | C11 | doub | 1.38Å | 1.38Å | Aromatic |
| C14 | C20 | sing | 1.51Å | 1.49Å | |
| C11 | C3 | sing | 1.48Å | 1.45Å | |
| C8 | O9 | sing | 1.35Å | 1.26Å | |
| C8 | C5 | sing | 1.47Å | 1.48Å | |
| C4 | C3 | doub | 1.39Å | 1.38Å | Aromatic |
| C4 | C5 | sing | 1.39Å | 1.37Å | Aromatic |
| C3 | C2 | sing | 1.40Å | 1.38Å | Aromatic |
| C5 | C6 | doub | 1.40Å | 1.38Å | Aromatic |
| C2 | C1 | doub | 1.38Å | 1.38Å | Aromatic |
| C6 | C1 | sing | 1.39Å | 1.38Å | Aromatic |
| C6 | O7 | sing | 1.36Å | 1.38Å | |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C16 | H2 | sing | 1.08Å | 1.08Å | |
| C17 | H3 | sing | 1.08Å | 1.08Å | |
| C18 | H4 | sing | 1.08Å | 1.08Å | |
| C19 | H5 | sing | 1.08Å | 1.08Å | |
| C2 | H6 | sing | 1.08Å | 1.08Å | |
| C20 | H7 | sing | 1.09Å | 1.10Å | |
| C20 | H8 | sing | 1.09Å | 1.10Å | |
| C20 | H9 | sing | 1.09Å | 1.10Å | |
| C21 | H10 | sing | 1.08Å | 1.08Å | |
| C4 | H11 | sing | 1.08Å | 1.08Å | |
| O7 | H12 | sing | 0.97Å | 0.95Å | |
| O9 | H13 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C19 | N15 | C13 | 117.4° | 121.3° |
| N15 | C19 | C21 | 124.1° | 121.7° |
| N15 | C19 | H5 | 117.9° | 119.1° |
| N15 | C13 | C17 | 119.0° | 121.0° |
| N15 | C13 | C12 | 123.0° | 119.8° |
| C13 | C17 | C16 | 121.2° | 120.2° |
| C17 | C13 | C12 | 117.9° | 119.3° |
| C13 | C17 | H3 | 119.4° | 120.0° |
| C17 | C16 | C14 | 120.2° | 121.2° |
| C17 | C16 | H2 | 119.9° | 119.4° |
| C16 | C17 | H3 | 119.4° | 119.9° |
| C19 | C21 | C18 | 117.2° | 119.9° |
| C21 | C19 | H5 | 117.9° | 119.2° |
| C19 | C21 | H10 | 121.4° | 120.0° |
| C13 | C12 | C18 | 117.5° | 119.1° |
| C13 | C12 | C11 | 121.9° | 119.5° |
| O10 | C8 | O9 | 126.6° | 120.0° |
| O10 | C8 | C5 | 115.2° | 120.0° |
| C16 | C14 | C11 | 120.3° | 120.5° |
| C16 | C14 | C20 | 117.9° | 119.7° |
| C14 | C16 | H2 | 119.9° | 119.4° |
| C21 | C18 | C12 | 120.7° | 118.2° |
| C21 | C18 | H4 | 119.7° | 120.9° |
| C18 | C21 | H10 | 121.4° | 120.1° |
| C18 | C12 | C11 | 120.6° | 121.4° |
| C12 | C18 | H4 | 119.6° | 120.9° |
| C12 | C11 | C14 | 118.4° | 119.3° |
| C12 | C11 | C3 | 121.1° | 120.3° |
| C11 | C14 | C20 | 121.7° | 119.7° |
| C14 | C11 | C3 | 120.5° | 120.4° |
| C14 | C20 | H7 | 109.5° | 109.5° |
| C14 | C20 | H8 | 109.5° | 109.5° |
| C14 | C20 | H9 | 109.4° | 109.5° |
| C11 | C3 | C4 | 120.0° | 120.0° |
| C11 | C3 | C2 | 122.3° | 119.9° |
| O9 | C8 | C5 | 118.1° | 120.0° |
| C8 | O9 | H13 | 109.5° | 117.0° |
| C8 | C5 | C4 | 118.1° | 120.2° |
| C8 | C5 | C6 | 123.3° | 120.1° |
| C3 | C4 | C5 | 122.5° | 119.8° |
| C4 | C3 | C2 | 117.7° | 120.0° |
| C3 | C4 | H11 | 118.8° | 120.1° |
| C4 | C5 | C6 | 118.7° | 119.7° |
| C5 | C4 | H11 | 118.8° | 120.1° |
| C3 | C2 | C1 | 121.2° | 120.3° |
| C3 | C2 | H6 | 119.4° | 119.9° |
| C5 | C6 | C1 | 120.5° | 120.0° |
| C5 | C6 | O7 | 119.6° | 120.1° |
| C2 | C1 | C6 | 119.5° | 120.2° |
| C2 | C1 | H1 | 120.3° | 119.9° |
| C1 | C2 | H6 | 119.4° | 119.9° |
| C1 | C6 | O7 | 119.9° | 120.0° |
| C6 | C1 | H1 | 120.3° | 119.9° |
| C6 | O7 | H12 | 109.5° | 114.0° |
| H7 | C20 | H8 | 109.5° | 109.4° |
| H7 | C20 | H9 | 109.5° | 109.5° |
| H8 | C20 | H9 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C19 | N15 | C13 | C17 | 179.7° | 180.0° |
| N15 | C19 | C21 | H5 | 180.0° | 179.9° |
| C19 | N15 | C13 | C12 | 0.1° | 0.1° |
| N15 | C19 | C21 | C18 | 0.0° | 0.0° |
| N15 | C19 | C21 | H10 | 180.0° | 179.9° |
| N15 | C13 | C17 | C12 | 179.7° | 180.0° |
| N15 | C13 | C17 | C16 | 179.8° | 179.6° |
| C13 | N15 | C19 | C21 | 0.1° | 0.1° |
| N15 | C13 | C12 | C18 | 0.3° | 0.0° |
| N15 | C13 | C12 | C11 | 179.6° | 179.9° |
| N15 | C13 | C17 | H3 | 0.2° | 0.1° |
| C13 | N15 | C19 | H5 | 179.9° | 180.0° |
| C13 | C17 | C16 | H3 | 180.0° | 179.7° |
| C13 | C17 | C16 | C14 | 0.3° | 0.4° |
| C17 | C13 | C12 | C18 | 180.0° | 180.0° |
| C17 | C13 | C12 | C11 | 0.1° | 0.0° |
| C13 | C17 | C16 | H2 | 179.7° | 179.7° |
| C16 | C17 | C13 | C12 | 0.2° | 0.3° |
| C17 | C16 | C14 | H2 | 180.0° | 179.9° |
| C17 | C16 | C14 | C11 | 0.1° | 0.1° |
| C17 | C16 | C14 | C20 | 179.9° | 180.0° |
| C19 | C21 | C18 | H10 | 180.0° | 180.0° |
| C19 | C21 | C18 | C12 | 0.3° | 0.0° |
| C19 | C21 | C18 | H4 | 179.7° | 180.0° |
| C13 | C12 | C18 | C21 | 0.4° | 0.0° |
| C13 | C12 | C18 | C11 | 179.9° | 180.0° |
| C13 | C12 | C11 | C14 | 0.2° | 0.3° |
| C13 | C12 | C11 | C3 | 179.3° | 179.9° |
| C12 | C13 | C17 | H3 | 179.8° | 179.9° |
| C13 | C12 | C18 | H4 | 179.6° | 180.0° |
| O10 | C8 | O9 | C5 | 179.4° | 180.0° |
| O10 | C8 | C5 | C4 | 9.8° | 180.0° |
| O10 | C8 | C5 | C6 | 170.4° | 0.2° |
| O10 | C8 | O9 | H13 | 0.0° | 0.0° |
| C16 | C14 | C11 | C12 | 0.1° | 0.2° |
| C16 | C14 | C11 | C20 | 179.8° | 179.9° |
| C16 | C14 | C11 | C3 | 179.4° | 179.9° |
| C14 | C16 | C17 | H3 | 179.7° | 179.9° |
| C16 | C14 | C20 | H7 | 89.9° | 90.0° |
| C16 | C14 | C20 | H8 | 150.1° | 29.9° |
| C16 | C14 | C20 | H9 | 30.1° | 150.0° |
| C21 | C18 | C12 | H4 | 180.0° | 180.0° |
| C21 | C18 | C12 | C11 | 179.4° | 180.0° |
| C18 | C21 | C19 | H5 | 180.0° | 180.0° |
| C18 | C12 | C11 | C14 | 179.9° | 179.7° |
| C18 | C12 | C11 | C3 | 0.6° | 0.0° |
| C12 | C18 | C21 | H10 | 179.7° | 180.0° |
| C12 | C11 | C14 | C3 | 179.5° | 179.7° |
| C12 | C11 | C14 | C20 | 179.7° | 179.7° |
| C12 | C11 | C3 | C4 | 62.3° | 115.0° |
| C12 | C11 | C3 | C2 | 117.1° | 65.1° |
| C11 | C12 | C18 | H4 | 0.6° | 0.0° |
| C14 | C11 | C3 | C4 | 117.2° | 64.6° |
| C14 | C11 | C3 | C2 | 63.4° | 115.3° |
| C11 | C14 | C16 | H2 | 179.9° | 180.0° |
| C11 | C14 | C20 | H7 | 89.9° | 90.0° |
| C11 | C14 | C20 | H8 | 30.1° | 150.0° |
| C11 | C14 | C20 | H9 | 150.1° | 30.0° |
| C20 | C14 | C11 | C3 | 0.8° | 0.1° |
| C20 | C14 | C16 | H2 | 0.0° | 0.0° |
| C14 | C20 | H7 | H8 | 120.0° | 120.0° |
| C14 | C20 | H7 | H9 | 120.0° | 120.0° |
| C14 | C20 | H8 | H9 | 120.0° | 120.1° |
| C11 | C3 | C4 | C2 | 179.4° | 179.9° |
| C11 | C3 | C4 | C5 | 178.8° | 179.9° |
| C11 | C3 | C2 | C1 | 178.9° | 179.9° |
| C11 | C3 | C2 | H6 | 1.1° | 0.1° |
| C11 | C3 | C4 | H11 | 1.2° | 0.0° |
| O9 | C8 | C5 | C4 | 169.7° | 0.0° |
| O9 | C8 | C5 | C6 | 10.2° | 179.8° |
| C8 | C5 | C4 | C3 | 179.5° | 180.0° |
| C8 | C5 | C4 | C6 | 179.9° | 179.8° |
| C8 | C5 | C6 | C1 | 179.9° | 179.8° |
| C8 | C5 | C6 | O7 | 0.2° | 0.2° |
| C8 | C5 | C4 | H11 | 0.5° | 0.1° |
| C5 | C8 | O9 | H13 | 179.3° | 180.0° |
| C3 | C4 | C5 | H11 | 180.0° | 179.9° |
| C3 | C4 | C5 | C6 | 0.3° | 0.2° |
| C4 | C3 | C2 | C1 | 0.5° | 0.0° |
| C4 | C3 | C2 | H6 | 179.4° | 180.0° |
| C5 | C4 | C3 | C2 | 0.6° | 0.0° |
| C4 | C5 | C6 | C1 | 0.0° | 0.5° |
| C4 | C5 | C6 | O7 | 179.9° | 180.0° |
| C3 | C2 | C1 | H6 | 180.0° | 180.0° |
| C3 | C2 | C1 | C6 | 0.2° | 0.2° |
| C3 | C2 | C1 | H1 | 179.9° | 180.0° |
| C2 | C3 | C4 | H11 | 179.4° | 179.9° |
| C5 | C6 | C1 | C2 | 0.1° | 0.5° |
| C5 | C6 | C1 | O7 | 179.9° | 179.6° |
| C5 | C6 | C1 | H1 | 179.9° | 179.8° |
| C6 | C5 | C4 | H11 | 179.7° | 179.8° |
| C5 | C6 | O7 | H12 | 180.0° | 89.9° |
| C2 | C1 | C6 | H1 | 180.0° | 179.7° |
| C2 | C1 | C6 | O7 | 180.0° | 180.0° |
| C6 | C1 | C2 | H6 | 179.8° | 179.8° |
| C1 | C6 | O7 | H12 | 0.1° | 90.5° |
| O7 | C6 | C1 | H1 | 0.1° | 0.2° |
| H1 | C1 | C2 | H6 | 0.2° | 0.0° |
| H2 | C16 | C17 | H3 | 0.3° | 0.0° |
| H4 | C18 | C21 | H10 | 0.3° | 0.0° |
| H5 | C19 | C21 | H10 | 0.0° | 0.0° |
| H7 | C20 | H8 | H9 | 120.0° | 120.0° |
