5UH
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C12 | C13 | doub | 1.38Å | 1.40Å | Aromatic |
| C12 | C11 | sing | 1.38Å | 1.39Å | Aromatic |
| C13 | C14 | sing | 1.38Å | 1.40Å | Aromatic |
| C11 | C10 | doub | 1.38Å | 1.40Å | Aromatic |
| C14 | C9 | doub | 1.39Å | 1.40Å | Aromatic |
| C10 | C9 | sing | 1.39Å | 1.40Å | Aromatic |
| C9 | C8 | sing | 1.48Å | 1.50Å | |
| C8 | C7 | doub | 1.39Å | 1.41Å | Aromatic |
| C8 | C1 | sing | 1.40Å | 1.50Å | Aromatic |
| O | C1 | sing | 1.36Å | 1.38Å | |
| O | C | sing | 1.43Å | 1.43Å | |
| C7 | C4 | sing | 1.38Å | 1.40Å | Aromatic |
| C1 | C2 | doub | 1.39Å | 1.41Å | Aromatic |
| C4 | C5 | sing | 1.51Å | 1.52Å | |
| C4 | C3 | doub | 1.38Å | 1.40Å | Aromatic |
| C2 | C3 | sing | 1.38Å | 1.40Å | Aromatic |
| O1 | C6 | doub | 1.21Å | 1.25Å | |
| C5 | C6 | sing | 1.51Å | 1.51Å | |
| C6 | O2 | sing | 1.34Å | 1.25Å | |
| C2 | H1 | sing | 1.08Å | 1.08Å | |
| C3 | H2 | sing | 1.08Å | 1.08Å | |
| O2 | H3 | sing | 0.97Å | 0.95Å | |
| C11 | H4 | sing | 1.08Å | 1.08Å | |
| C12 | H5 | sing | 1.08Å | 1.08Å | |
| C13 | H6 | sing | 1.08Å | 1.08Å | |
| C14 | H7 | sing | 1.08Å | 1.08Å | |
| C5 | H8 | sing | 1.09Å | 1.10Å | |
| C5 | H9 | sing | 1.09Å | 1.10Å | |
| C7 | H10 | sing | 1.08Å | 1.08Å | |
| C | H11 | sing | 1.09Å | 1.10Å | |
| C | H12 | sing | 1.09Å | 1.10Å | |
| C | H13 | sing | 1.09Å | 1.10Å | |
| C10 | H14 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C13 | C12 | C11 | 119.4° | 120.2° |
| C12 | C13 | C14 | 120.3° | 120.1° |
| C13 | C12 | H5 | 120.3° | 119.8° |
| C12 | C13 | H6 | 119.8° | 119.9° |
| C12 | C11 | C10 | 120.6° | 120.1° |
| C12 | C11 | H4 | 119.7° | 119.9° |
| C11 | C12 | H5 | 120.3° | 119.9° |
| C13 | C14 | C9 | 120.4° | 119.9° |
| C14 | C13 | H6 | 119.8° | 120.0° |
| C13 | C14 | H7 | 119.8° | 120.1° |
| C11 | C10 | C9 | 120.2° | 119.9° |
| C10 | C11 | H4 | 119.7° | 120.0° |
| C11 | C10 | H14 | 119.9° | 120.0° |
| C14 | C9 | C10 | 119.1° | 119.8° |
| C14 | C9 | C8 | 119.5° | 120.1° |
| C9 | C14 | H7 | 119.8° | 120.1° |
| C10 | C9 | C8 | 121.4° | 120.1° |
| C9 | C10 | H14 | 119.9° | 120.1° |
| C9 | C8 | C7 | 121.4° | 120.1° |
| C9 | C8 | C1 | 120.1° | 120.2° |
| C7 | C8 | C1 | 118.5° | 119.7° |
| C8 | C7 | C4 | 120.5° | 119.9° |
| C8 | C7 | H10 | 119.7° | 120.0° |
| C8 | C1 | O | 119.5° | 120.2° |
| C8 | C1 | C2 | 118.8° | 119.8° |
| C1 | O | C | 121.7° | 117.1° |
| O | C1 | C2 | 121.7° | 120.1° |
| O | C | H11 | 109.5° | 109.5° |
| O | C | H12 | 109.5° | 109.5° |
| O | C | H13 | 109.5° | 109.5° |
| C7 | C4 | C5 | 120.6° | 119.9° |
| C7 | C4 | C3 | 120.5° | 120.3° |
| C4 | C7 | H10 | 119.7° | 120.1° |
| C1 | C2 | C3 | 120.0° | 120.0° |
| C1 | C2 | H1 | 120.0° | 120.0° |
| C5 | C4 | C3 | 118.8° | 119.9° |
| C4 | C5 | C6 | 112.4° | 109.4° |
| C4 | C5 | H8 | 108.8° | 109.5° |
| C4 | C5 | H9 | 108.7° | 109.4° |
| C4 | C3 | C2 | 121.6° | 120.3° |
| C4 | C3 | H2 | 119.2° | 119.8° |
| C3 | C2 | H1 | 120.0° | 120.0° |
| C2 | C3 | H2 | 119.2° | 119.9° |
| O1 | C6 | C5 | 118.6° | 120.0° |
| O1 | C6 | O2 | 123.0° | 120.0° |
| C5 | C6 | O2 | 118.4° | 120.0° |
| C6 | C5 | H8 | 108.7° | 109.5° |
| C6 | C5 | H9 | 108.8° | 109.5° |
| C6 | O2 | H3 | 109.5° | 117.0° |
| H8 | C5 | H9 | 109.5° | 109.5° |
| H11 | C | H12 | 109.4° | 109.4° |
| H11 | C | H13 | 109.5° | 109.4° |
| H12 | C | H13 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C13 | C12 | C11 | H5 | 180.0° | 179.9° |
| C12 | C13 | C14 | H6 | 180.0° | 180.0° |
| C13 | C12 | C11 | C10 | 2.0° | 0.0° |
| C12 | C13 | C14 | C9 | 1.9° | 0.0° |
| C13 | C12 | C11 | H4 | 178.0° | 179.7° |
| C12 | C13 | C14 | H7 | 178.1° | 180.0° |
| C11 | C12 | C13 | C14 | 0.3° | 0.0° |
| C12 | C11 | C10 | H4 | 180.0° | 179.7° |
| C12 | C11 | C10 | C9 | 2.6° | 0.0° |
| C11 | C12 | C13 | H6 | 179.7° | 180.0° |
| C12 | C11 | C10 | H14 | 177.3° | 179.7° |
| C13 | C14 | C9 | H7 | 180.0° | 180.0° |
| C13 | C14 | C9 | C10 | 1.3° | 0.0° |
| C13 | C14 | C9 | C8 | 179.0° | 180.0° |
| C14 | C13 | C12 | H5 | 179.7° | 179.9° |
| C11 | C10 | C9 | C14 | 1.0° | 0.0° |
| C11 | C10 | C9 | H14 | 180.0° | 179.7° |
| C11 | C10 | C9 | C8 | 176.7° | 179.9° |
| C10 | C11 | C12 | H5 | 178.0° | 179.9° |
| C14 | C9 | C10 | C8 | 177.7° | 179.9° |
| C14 | C9 | C8 | C7 | 42.8° | 50.0° |
| C14 | C9 | C8 | C1 | 134.6° | 130.1° |
| C9 | C14 | C13 | H6 | 178.1° | 180.0° |
| C14 | C9 | C10 | H14 | 179.0° | 179.7° |
| C10 | C9 | C8 | C7 | 139.5° | 130.0° |
| C10 | C9 | C8 | C1 | 43.2° | 49.9° |
| C9 | C10 | C11 | H4 | 177.4° | 179.7° |
| C10 | C9 | C14 | H7 | 178.7° | 180.0° |
| C9 | C8 | C7 | C1 | 177.4° | 179.9° |
| C9 | C8 | C1 | O | 1.8° | 0.2° |
| C9 | C8 | C7 | C4 | 179.0° | 180.0° |
| C9 | C8 | C1 | C2 | 178.3° | 179.9° |
| C8 | C9 | C14 | H7 | 1.0° | 0.1° |
| C9 | C8 | C7 | H10 | 1.0° | 0.1° |
| C8 | C9 | C10 | H14 | 3.3° | 0.2° |
| C7 | C8 | C1 | O | 179.2° | 179.7° |
| C8 | C7 | C4 | H10 | 180.0° | 180.0° |
| C7 | C8 | C1 | C2 | 0.9° | 0.0° |
| C8 | C7 | C4 | C5 | 178.3° | 180.0° |
| C8 | C7 | C4 | C3 | 1.9° | 0.1° |
| C8 | C1 | O | C2 | 179.9° | 179.7° |
| C8 | C1 | O | C | 165.9° | 179.7° |
| C1 | C8 | C7 | C4 | 1.6° | 0.0° |
| C8 | C1 | C2 | C3 | 0.5° | 0.0° |
| C8 | C1 | C2 | H1 | 179.5° | 180.0° |
| C1 | C8 | C7 | H10 | 178.4° | 180.0° |
| O | C1 | C2 | C3 | 179.6° | 179.7° |
| O | C1 | C2 | H1 | 0.4° | 0.3° |
| C1 | O | C | H11 | 180.0° | 60.0° |
| C1 | O | C | H12 | 60.0° | 59.9° |
| C1 | O | C | H13 | 60.0° | 180.0° |
| C | O | C1 | C2 | 14.2° | 0.0° |
| O | C | H11 | H12 | 120.0° | 120.0° |
| O | C | H11 | H13 | 120.0° | 120.1° |
| O | C | H12 | H13 | 120.0° | 120.1° |
| C7 | C4 | C5 | C3 | 176.4° | 180.0° |
| C7 | C4 | C3 | C2 | 1.5° | 0.0° |
| C7 | C4 | C5 | C6 | 77.2° | 90.0° |
| C7 | C4 | C3 | H2 | 178.5° | 180.0° |
| C7 | C4 | C5 | H8 | 43.3° | 150.0° |
| C7 | C4 | C5 | H9 | 162.4° | 30.0° |
| C1 | C2 | C3 | C4 | 0.8° | 0.0° |
| C1 | C2 | C3 | H1 | 180.0° | 180.0° |
| C1 | C2 | C3 | H2 | 179.2° | 180.0° |
| C5 | C4 | C3 | C2 | 178.0° | 180.0° |
| C4 | C5 | C6 | O1 | 143.6° | 0.0° |
| C4 | C5 | C6 | H8 | 120.5° | 120.0° |
| C4 | C5 | C6 | H9 | 120.4° | 120.0° |
| C4 | C5 | C6 | O2 | 37.5° | 179.9° |
| C5 | C4 | C3 | H2 | 2.0° | 0.0° |
| C4 | C5 | H8 | H9 | 118.7° | 120.0° |
| C5 | C4 | C7 | H10 | 1.7° | 0.0° |
| C4 | C3 | C2 | H2 | 180.0° | 180.0° |
| C3 | C4 | C5 | C6 | 106.4° | 90.0° |
| C4 | C3 | C2 | H1 | 179.2° | 180.0° |
| C3 | C4 | C5 | H8 | 133.2° | 30.0° |
| C3 | C4 | C5 | H9 | 14.1° | 150.0° |
| C3 | C4 | C7 | H10 | 178.1° | 180.0° |
| O1 | C6 | C5 | O2 | 178.8° | 179.9° |
| O1 | C6 | O2 | H3 | 0.0° | 0.1° |
| O1 | C6 | C5 | H8 | 23.2° | 120.0° |
| O1 | C6 | C5 | H9 | 96.0° | 120.0° |
| C5 | C6 | O2 | H3 | 178.8° | 180.0° |
| C6 | C5 | H8 | H9 | 118.7° | 120.1° |
| O2 | C6 | C5 | H8 | 158.0° | 60.1° |
| O2 | C6 | C5 | H9 | 82.9° | 60.0° |
| H1 | C2 | C3 | H2 | 0.8° | 0.0° |
| H4 | C11 | C12 | H5 | 2.0° | 0.4° |
| H4 | C11 | C10 | H14 | 2.6° | 0.0° |
| H5 | C12 | C13 | H6 | 0.3° | 0.1° |
| H6 | C13 | C14 | H7 | 1.9° | 0.0° |
| H11 | C | H12 | H13 | 120.0° | 119.9° |
