UQG
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C | C1 | sing | 1.51Å | 1.51Å | |
| C1 | C2 | doub | 1.38Å | 1.39Å | Aromatic |
| C1 | C6 | sing | 1.38Å | 1.39Å | Aromatic |
| C2 | C3 | sing | 1.38Å | 1.38Å | Aromatic |
| C6 | C5 | doub | 1.38Å | 1.39Å | Aromatic |
| C3 | C4 | doub | 1.39Å | 1.40Å | Aromatic |
| O | C8 | sing | 1.36Å | 1.35Å | |
| C5 | C4 | sing | 1.39Å | 1.40Å | Aromatic |
| C4 | C7 | sing | 1.48Å | 1.49Å | |
| C8 | C7 | doub | 1.40Å | 1.40Å | Aromatic |
| C8 | C9 | sing | 1.40Å | 1.40Å | Aromatic |
| C7 | N1 | sing | 1.33Å | 1.35Å | Aromatic |
| C12 | C13 | doub | 1.38Å | 1.38Å | Aromatic |
| C12 | C11 | sing | 1.39Å | 1.40Å | Aromatic |
| N2 | C9 | sing | 1.39Å | 1.39Å | |
| N2 | C11 | sing | 1.39Å | 1.42Å | |
| C9 | N | doub | 1.33Å | 1.35Å | Aromatic |
| C13 | C14 | sing | 1.40Å | 1.39Å | Aromatic |
| N1 | C10 | doub | 1.32Å | 1.35Å | Aromatic |
| C11 | C16 | doub | 1.39Å | 1.39Å | Aromatic |
| N | C10 | sing | 1.32Å | 1.35Å | Aromatic |
| N3 | C17 | doub | 1.30Å | 1.31Å | |
| C14 | C17 | sing | 1.48Å | 1.49Å | |
| C14 | C15 | doub | 1.40Å | 1.40Å | Aromatic |
| C16 | C15 | sing | 1.38Å | 1.39Å | Aromatic |
| C17 | N4 | sing | 1.38Å | 1.31Å | |
| C | H3 | sing | 1.09Å | 1.10Å | |
| C | H4 | sing | 1.09Å | 1.10Å | |
| C | H2 | sing | 1.09Å | 1.10Å | |
| O | H17 | sing | 0.97Å | 0.95Å | |
| C10 | H9 | sing | 1.08Å | 1.08Å | |
| C12 | H11 | sing | 1.08Å | 1.08Å | |
| C13 | H12 | sing | 1.08Å | 1.08Å | |
| C15 | H13 | sing | 1.08Å | 1.08Å | |
| C16 | H14 | sing | 1.08Å | 1.08Å | |
| C2 | H5 | sing | 1.08Å | 1.08Å | |
| C3 | H6 | sing | 1.08Å | 1.08Å | |
| C5 | H7 | sing | 1.08Å | 1.08Å | |
| C6 | H8 | sing | 1.08Å | 1.08Å | |
| N2 | H10 | sing | 0.97Å | 1.00Å | |
| N3 | H | sing | 0.97Å | 1.00Å | |
| N4 | H16 | sing | 0.97Å | 1.00Å | |
| N4 | H15 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C | C1 | C2 | 120.8° | 119.8° |
| C | C1 | C6 | 121.2° | 119.9° |
| C1 | C | H3 | 109.5° | 109.4° |
| C1 | C | H4 | 109.5° | 109.4° |
| C1 | C | H2 | 109.5° | 109.5° |
| C2 | C1 | C6 | 117.8° | 120.2° |
| C1 | C2 | C3 | 121.3° | 120.1° |
| C1 | C2 | H5 | 119.4° | 119.9° |
| C1 | C6 | C5 | 121.3° | 120.1° |
| C1 | C6 | H8 | 119.3° | 119.9° |
| C2 | C3 | C4 | 121.3° | 119.9° |
| C3 | C2 | H5 | 119.4° | 119.9° |
| C2 | C3 | H6 | 119.3° | 120.0° |
| C6 | C5 | C4 | 121.0° | 119.9° |
| C6 | C5 | H7 | 119.5° | 120.1° |
| C5 | C6 | H8 | 119.3° | 120.0° |
| C3 | C4 | C5 | 117.3° | 119.8° |
| C3 | C4 | C7 | 120.2° | 120.1° |
| C4 | C3 | H6 | 119.4° | 120.1° |
| O | C8 | C7 | 122.7° | 120.9° |
| O | C8 | C9 | 119.9° | 121.0° |
| C8 | O | H17 | 109.5° | 114.0° |
| C5 | C4 | C7 | 122.2° | 120.1° |
| C4 | C5 | H7 | 119.5° | 120.1° |
| C4 | C7 | C8 | 120.3° | 120.6° |
| C4 | C7 | N1 | 118.3° | 120.5° |
| C7 | C8 | C9 | 117.4° | 118.1° |
| C8 | C7 | N1 | 121.3° | 118.9° |
| C8 | C9 | N2 | 116.4° | 120.5° |
| C8 | C9 | N | 122.8° | 119.0° |
| C7 | N1 | C10 | 115.8° | 120.9° |
| C13 | C12 | C11 | 120.6° | 120.1° |
| C12 | C13 | C14 | 120.7° | 119.9° |
| C13 | C12 | H11 | 119.7° | 119.9° |
| C12 | C13 | H12 | 119.7° | 120.0° |
| C12 | C11 | N2 | 116.4° | 120.0° |
| C12 | C11 | C16 | 119.0° | 120.1° |
| C11 | C12 | H11 | 119.7° | 120.0° |
| C9 | N2 | C11 | 141.4° | 120.0° |
| N2 | C9 | N | 120.8° | 120.5° |
| C9 | N2 | H10 | 109.3° | 120.0° |
| N2 | C11 | C16 | 124.6° | 119.9° |
| C11 | N2 | H10 | 109.3° | 120.0° |
| C9 | N | C10 | 114.2° | 121.0° |
| C13 | C14 | C17 | 120.7° | 120.1° |
| C13 | C14 | C15 | 118.4° | 119.9° |
| C14 | C13 | H12 | 119.6° | 120.0° |
| N1 | C10 | N | 128.6° | 122.1° |
| N1 | C10 | H9 | 115.7° | 119.0° |
| C11 | C16 | C15 | 120.3° | 120.0° |
| C11 | C16 | H14 | 119.8° | 120.0° |
| N | C10 | H9 | 115.7° | 119.0° |
| N3 | C17 | C14 | 120.3° | 120.0° |
| N3 | C17 | N4 | 119.7° | 120.0° |
| C17 | N3 | H | 112.0° | 119.9° |
| C17 | C14 | C15 | 120.7° | 120.0° |
| C14 | C17 | N4 | 120.1° | 120.1° |
| C14 | C15 | C16 | 121.0° | 120.0° |
| C14 | C15 | H13 | 119.5° | 120.0° |
| C16 | C15 | H13 | 119.5° | 120.0° |
| C15 | C16 | H14 | 119.9° | 120.0° |
| C17 | N4 | H16 | 120.0° | 120.0° |
| C17 | N4 | H15 | 120.0° | 120.1° |
| H3 | C | H4 | 109.5° | 109.5° |
| H3 | C | H2 | 109.5° | 109.6° |
| H4 | C | H2 | 109.4° | 109.4° |
| H16 | N4 | H15 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C | C1 | C2 | C6 | 175.4° | 179.7° |
| C | C1 | C2 | C3 | 173.3° | 180.0° |
| C | C1 | C6 | C5 | 173.9° | 179.8° |
| C1 | C | H3 | H4 | 120.0° | 119.9° |
| C1 | C | H3 | H2 | 120.0° | 120.1° |
| C1 | C | H4 | H2 | 120.0° | 120.0° |
| C | C1 | C2 | H5 | 6.7° | 0.1° |
| C | C1 | C6 | H8 | 6.1° | 0.0° |
| C1 | C2 | C3 | H5 | 180.0° | 179.9° |
| C2 | C1 | C6 | C5 | 1.5° | 0.6° |
| C1 | C2 | C3 | C4 | 1.6° | 0.1° |
| C2 | C1 | C | H3 | 92.4° | 90.1° |
| C2 | C1 | C | H4 | 147.6° | 150.0° |
| C2 | C1 | C | H2 | 27.7° | 30.0° |
| C1 | C2 | C3 | H6 | 178.3° | 179.9° |
| C2 | C1 | C6 | H8 | 178.5° | 179.7° |
| C6 | C1 | C2 | C3 | 2.1° | 0.3° |
| C1 | C6 | C5 | H8 | 180.0° | 179.8° |
| C1 | C6 | C5 | C4 | 0.3° | 0.5° |
| C6 | C1 | C | H3 | 92.4° | 90.2° |
| C6 | C1 | C | H4 | 27.6° | 29.7° |
| C6 | C1 | C | H2 | 147.6° | 149.7° |
| C6 | C1 | C2 | H5 | 177.9° | 179.8° |
| C1 | C6 | C5 | H7 | 179.7° | 179.8° |
| C2 | C3 | C4 | H6 | 180.0° | 180.0° |
| C2 | C3 | C4 | C5 | 0.4° | 0.0° |
| C2 | C3 | C4 | C7 | 173.0° | 180.0° |
| C6 | C5 | C4 | C3 | 0.2° | 0.2° |
| C6 | C5 | C4 | H7 | 180.0° | 179.7° |
| C6 | C5 | C4 | C7 | 173.5° | 179.7° |
| C3 | C4 | C5 | C7 | 173.3° | 180.0° |
| C3 | C4 | C7 | C8 | 38.0° | 145.0° |
| C3 | C4 | C7 | N1 | 140.1° | 35.0° |
| C4 | C3 | C2 | H5 | 178.4° | 179.9° |
| C3 | C4 | C5 | H7 | 179.8° | 180.0° |
| O | C8 | C7 | C4 | 0.8° | 0.0° |
| O | C8 | C7 | C9 | 177.9° | 180.0° |
| O | C8 | C7 | N1 | 177.3° | 180.0° |
| O | C8 | C9 | N2 | 2.0° | 0.1° |
| O | C8 | C9 | N | 177.7° | 180.0° |
| C5 | C4 | C7 | C8 | 135.1° | 35.0° |
| C5 | C4 | C7 | N1 | 46.8° | 145.0° |
| C5 | C4 | C3 | H6 | 179.5° | 180.0° |
| C4 | C5 | C6 | H8 | 179.7° | 179.7° |
| C4 | C7 | C8 | N1 | 178.1° | 180.0° |
| C4 | C7 | C8 | C9 | 178.7° | 180.0° |
| C4 | C7 | N1 | C10 | 178.6° | 180.0° |
| C7 | C4 | C3 | H6 | 7.0° | 0.0° |
| C7 | C4 | C5 | H7 | 6.5° | 0.0° |
| C7 | C8 | C9 | N2 | 179.9° | 179.9° |
| C7 | C8 | C9 | N | 0.2° | 0.0° |
| C8 | C7 | N1 | C10 | 0.5° | 0.1° |
| C7 | C8 | O | H17 | 180.0° | 90.0° |
| C9 | C8 | C7 | N1 | 0.6° | 0.0° |
| C8 | C9 | N2 | N | 179.7° | 179.9° |
| C8 | C9 | N2 | C11 | 172.7° | 174.4° |
| C8 | C9 | N | C10 | 0.1° | 0.0° |
| C9 | C8 | O | H17 | 2.2° | 90.0° |
| C8 | C9 | N2 | H10 | 7.3° | 5.5° |
| C7 | N1 | C10 | N | 0.1° | 0.1° |
| C7 | N1 | C10 | H9 | 180.0° | 180.0° |
| C13 | C12 | C11 | H11 | 180.0° | 180.0° |
| C13 | C12 | C11 | N2 | 179.7° | 179.7° |
| C12 | C13 | C14 | H12 | 180.0° | 179.9° |
| C13 | C12 | C11 | C16 | 1.0° | 0.0° |
| C12 | C13 | C14 | C17 | 175.0° | 179.9° |
| C12 | C13 | C14 | C15 | 1.3° | 0.0° |
| C12 | C11 | N2 | C9 | 174.7° | 33.3° |
| C12 | C11 | N2 | C16 | 179.3° | 179.7° |
| C11 | C12 | C13 | C14 | 0.1° | 0.0° |
| C12 | C11 | C16 | C15 | 0.9° | 0.0° |
| C11 | C12 | C13 | H12 | 179.8° | 179.9° |
| C12 | C11 | C16 | H14 | 179.1° | 180.0° |
| C12 | C11 | N2 | H10 | 5.3° | 146.7° |
| C9 | N2 | C11 | H10 | 180.0° | 179.9° |
| C9 | N2 | C11 | C16 | 4.6° | 147.0° |
| N2 | C9 | N | C10 | 179.5° | 179.9° |
| C11 | N2 | C9 | N | 7.0° | 5.6° |
| N2 | C11 | C16 | C15 | 179.9° | 179.7° |
| N2 | C11 | C12 | H11 | 0.3° | 0.3° |
| N2 | C11 | C16 | H14 | 0.2° | 0.2° |
| C9 | N | C10 | N1 | 0.2° | 0.0° |
| C9 | N | C10 | H9 | 179.7° | 179.9° |
| N | C9 | N2 | H10 | 173.0° | 174.4° |
| C13 | C14 | C17 | N3 | 16.7° | 0.0° |
| C13 | C14 | C17 | C15 | 176.2° | 180.0° |
| C13 | C14 | C15 | C16 | 1.4° | 0.0° |
| C13 | C14 | C17 | N4 | 163.9° | 180.0° |
| C14 | C13 | C12 | H11 | 179.9° | 180.0° |
| C13 | C14 | C15 | H13 | 178.6° | 179.9° |
| N1 | C10 | N | H9 | 180.0° | 179.9° |
| C11 | C16 | C15 | C14 | 0.3° | 0.0° |
| C11 | C16 | C15 | H14 | 180.0° | 179.9° |
| C16 | C11 | C12 | H11 | 179.0° | 180.0° |
| C11 | C16 | C15 | H13 | 179.7° | 180.0° |
| C16 | C11 | N2 | H10 | 175.4° | 33.0° |
| N3 | C17 | C14 | N4 | 179.4° | 180.0° |
| N3 | C17 | C14 | C15 | 159.5° | 180.0° |
| N3 | C17 | N4 | H16 | 179.3° | 180.0° |
| N3 | C17 | N4 | H15 | 0.6° | 0.0° |
| C17 | C14 | C15 | C16 | 174.9° | 180.0° |
| C17 | C14 | C13 | H12 | 5.0° | 0.1° |
| C17 | C14 | C15 | H13 | 5.0° | 0.1° |
| C14 | C17 | N3 | H | 179.4° | 180.0° |
| C14 | C17 | N4 | H16 | 0.0° | 0.0° |
| C14 | C17 | N4 | H15 | 180.0° | 180.0° |
| C14 | C15 | C16 | H13 | 180.0° | 180.0° |
| C15 | C14 | C17 | N4 | 19.9° | 0.1° |
| C15 | C14 | C13 | H12 | 178.7° | 179.9° |
| C14 | C15 | C16 | H14 | 179.7° | 180.0° |
| N4 | C17 | N3 | H | 0.0° | 0.0° |
| C17 | N4 | H16 | H15 | 179.9° | 180.0° |
| H3 | C | H4 | H2 | 120.0° | 120.1° |
| H11 | C12 | C13 | H12 | 0.2° | 0.1° |
| H13 | C15 | C16 | H14 | 0.3° | 0.0° |
| H5 | C2 | C3 | H6 | 1.6° | 0.1° |
| H7 | C5 | C6 | H8 | 0.3° | 0.0° |
