UH1
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N2 | C12 | doub | 1.32Å | 1.34Å | Aromatic |
| N2 | C13 | sing | 1.32Å | 1.34Å | Aromatic |
| C12 | C11 | sing | 1.38Å | 1.38Å | Aromatic |
| C13 | C9 | doub | 1.39Å | 1.39Å | Aromatic |
| C11 | C10 | doub | 1.38Å | 1.38Å | Aromatic |
| C9 | C10 | sing | 1.39Å | 1.39Å | Aromatic |
| C9 | N1 | sing | 1.40Å | 1.41Å | |
| N | C7 | trip | 1.14Å | 1.14Å | |
| N1 | C | sing | 1.35Å | 1.35Å | |
| O | C | doub | 1.21Å | 1.23Å | |
| C7 | C6 | sing | 1.43Å | 1.44Å | |
| C | C1 | sing | 1.51Å | 1.52Å | |
| C8 | C6 | doub | 1.40Å | 1.39Å | Aromatic |
| C8 | C2 | sing | 1.38Å | 1.39Å | Aromatic |
| C6 | C5 | sing | 1.40Å | 1.39Å | Aromatic |
| C1 | C2 | sing | 1.51Å | 1.51Å | |
| C2 | C3 | doub | 1.38Å | 1.39Å | Aromatic |
| C5 | C4 | doub | 1.38Å | 1.38Å | Aromatic |
| C3 | C4 | sing | 1.38Å | 1.39Å | Aromatic |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| C4 | H2 | sing | 1.08Å | 1.08Å | |
| C5 | H3 | sing | 1.08Å | 1.08Å | |
| C8 | H4 | sing | 1.08Å | 1.08Å | |
| C10 | H5 | sing | 1.08Å | 1.08Å | |
| C13 | H6 | sing | 1.08Å | 1.08Å | |
| C3 | H7 | sing | 1.08Å | 1.08Å | |
| C1 | H8 | sing | 1.09Å | 1.10Å | |
| C1 | H9 | sing | 1.09Å | 1.10Å | |
| C12 | H10 | sing | 1.08Å | 1.08Å | |
| C11 | H11 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C12 | N2 | C13 | 117.4° | 121.8° |
| N2 | C12 | C11 | 123.5° | 120.9° |
| N2 | C12 | H10 | 118.2° | 119.6° |
| N2 | C13 | C9 | 123.5° | 120.7° |
| N2 | C13 | H6 | 118.3° | 119.7° |
| C12 | C11 | C10 | 118.4° | 119.2° |
| C11 | C12 | H10 | 118.3° | 119.5° |
| C12 | C11 | H11 | 120.8° | 120.4° |
| C13 | C9 | C10 | 117.8° | 119.0° |
| C13 | C9 | N1 | 121.0° | 120.5° |
| C9 | C13 | H6 | 118.2° | 119.6° |
| C11 | C10 | C9 | 119.4° | 118.4° |
| C11 | C10 | H5 | 120.3° | 120.8° |
| C10 | C11 | H11 | 120.8° | 120.4° |
| C10 | C9 | N1 | 121.0° | 120.5° |
| C9 | C10 | H5 | 120.3° | 120.8° |
| C9 | N1 | C | 126.7° | 120.1° |
| C9 | N1 | H1 | 116.6° | 120.0° |
| N | C7 | C6 | 178.3° | 180.0° |
| N1 | C | O | 123.6° | 120.0° |
| N1 | C | C1 | 114.2° | 120.0° |
| C | N1 | H1 | 116.7° | 119.9° |
| O | C | C1 | 122.2° | 120.0° |
| C7 | C6 | C8 | 119.6° | 120.1° |
| C7 | C6 | C5 | 120.2° | 120.2° |
| C | C1 | C2 | 112.1° | 109.5° |
| C | C1 | H8 | 108.8° | 109.5° |
| C | C1 | H9 | 108.8° | 109.5° |
| C6 | C8 | C2 | 120.2° | 119.8° |
| C8 | C6 | C5 | 120.1° | 119.7° |
| C6 | C8 | H4 | 119.9° | 120.1° |
| C8 | C2 | C1 | 120.1° | 119.9° |
| C8 | C2 | C3 | 119.0° | 120.2° |
| C2 | C8 | H4 | 119.9° | 120.1° |
| C6 | C5 | C4 | 119.7° | 119.9° |
| C6 | C5 | H3 | 120.2° | 120.1° |
| C1 | C2 | C3 | 120.8° | 119.9° |
| C2 | C1 | H8 | 108.8° | 109.5° |
| C2 | C1 | H9 | 108.8° | 109.4° |
| C2 | C3 | C4 | 120.9° | 120.3° |
| C2 | C3 | H7 | 119.6° | 119.9° |
| C5 | C4 | C3 | 120.1° | 120.2° |
| C5 | C4 | H2 | 120.0° | 119.9° |
| C4 | C5 | H3 | 120.2° | 120.1° |
| C3 | C4 | H2 | 119.9° | 119.9° |
| C4 | C3 | H7 | 119.6° | 119.8° |
| H8 | C1 | H9 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N2 | C12 | C11 | H10 | 180.0° | 179.6° |
| C12 | N2 | C13 | C9 | 0.7° | 0.3° |
| N2 | C12 | C11 | C10 | 0.1° | 0.1° |
| C12 | N2 | C13 | H6 | 179.3° | 179.7° |
| N2 | C12 | C11 | H11 | 179.9° | 180.0° |
| C13 | N2 | C12 | C11 | 0.1° | 0.4° |
| N2 | C13 | C9 | H6 | 180.0° | 180.0° |
| N2 | C13 | C9 | C10 | 1.2° | 0.0° |
| N2 | C13 | C9 | N1 | 174.0° | 179.9° |
| C13 | N2 | C12 | H10 | 180.0° | 180.0° |
| C12 | C11 | C10 | H11 | 180.0° | 180.0° |
| C12 | C11 | C10 | C9 | 0.3° | 0.2° |
| C12 | C11 | C10 | H5 | 179.7° | 180.0° |
| C13 | C9 | C10 | C11 | 1.0° | 0.2° |
| C13 | C9 | C10 | N1 | 175.1° | 180.0° |
| C13 | C9 | N1 | C | 71.1° | 147.2° |
| C13 | C9 | N1 | H1 | 108.8° | 32.5° |
| C13 | C9 | C10 | H5 | 179.0° | 180.0° |
| C11 | C10 | C9 | H5 | 180.0° | 179.7° |
| C11 | C10 | C9 | N1 | 174.2° | 179.8° |
| C10 | C11 | C12 | H10 | 179.8° | 179.7° |
| C10 | C9 | N1 | C | 103.9° | 32.7° |
| C10 | C9 | N1 | H1 | 76.2° | 147.6° |
| C10 | C9 | C13 | H6 | 178.8° | 180.0° |
| C9 | C10 | C11 | H11 | 179.6° | 179.7° |
| C9 | N1 | C | H1 | 180.0° | 179.7° |
| C9 | N1 | C | O | 3.7° | 5.0° |
| C9 | N1 | C | C1 | 175.5° | 174.9° |
| N1 | C9 | C10 | H5 | 5.8° | 0.1° |
| N1 | C9 | C13 | H6 | 6.0° | 0.0° |
| N | C7 | C6 | C8 | 167.6° | 119.2° |
| N | C7 | C6 | C5 | 14.5° | 60.7° |
| N1 | C | O | C1 | 179.1° | 179.9° |
| N1 | C | C1 | C2 | 155.8° | 179.9° |
| N1 | C | C1 | H8 | 83.8° | 60.0° |
| N1 | C | C1 | H9 | 35.4° | 60.0° |
| O | C | C1 | C2 | 25.1° | 0.0° |
| O | C | N1 | H1 | 176.3° | 174.6° |
| O | C | C1 | H8 | 95.3° | 120.0° |
| O | C | C1 | H9 | 145.5° | 120.0° |
| C7 | C6 | C8 | C5 | 178.0° | 180.0° |
| C7 | C6 | C8 | C2 | 177.2° | 180.0° |
| C7 | C6 | C5 | C4 | 177.4° | 180.0° |
| C7 | C6 | C5 | H3 | 2.6° | 0.0° |
| C7 | C6 | C8 | H4 | 2.8° | 0.0° |
| C | C1 | C2 | C8 | 66.0° | 90.0° |
| C | C1 | C2 | H8 | 120.4° | 120.1° |
| C | C1 | C2 | H9 | 120.4° | 120.0° |
| C | C1 | C2 | C3 | 112.7° | 89.7° |
| C1 | C | N1 | H1 | 4.6° | 5.4° |
| C | C1 | H8 | H9 | 118.8° | 120.0° |
| C6 | C8 | C2 | H4 | 180.0° | 180.0° |
| C6 | C8 | C2 | C1 | 178.1° | 180.0° |
| C6 | C8 | C2 | C3 | 0.6° | 0.3° |
| C8 | C6 | C5 | C4 | 0.6° | 0.0° |
| C8 | C6 | C5 | H3 | 179.4° | 180.0° |
| C2 | C8 | C6 | C5 | 0.8° | 0.0° |
| C8 | C2 | C1 | C3 | 178.7° | 179.7° |
| C8 | C2 | C3 | C4 | 0.1° | 0.6° |
| C8 | C2 | C3 | H7 | 179.9° | 179.8° |
| C8 | C2 | C1 | H8 | 173.7° | 150.0° |
| C8 | C2 | C1 | H9 | 54.4° | 30.0° |
| C6 | C5 | C4 | H3 | 180.0° | 180.0° |
| C6 | C5 | C4 | C3 | 0.1° | 0.3° |
| C6 | C5 | C4 | H2 | 179.9° | 179.9° |
| C5 | C6 | C8 | H4 | 179.2° | 179.9° |
| C1 | C2 | C3 | C4 | 178.6° | 179.7° |
| C1 | C2 | C8 | H4 | 1.9° | 0.1° |
| C1 | C2 | C3 | H7 | 1.4° | 0.1° |
| C2 | C1 | H8 | H9 | 118.8° | 120.0° |
| C2 | C3 | C4 | C5 | 0.1° | 0.6° |
| C2 | C3 | C4 | H7 | 180.0° | 179.6° |
| C2 | C3 | C4 | H2 | 179.9° | 179.8° |
| C3 | C2 | C8 | H4 | 179.4° | 179.8° |
| C3 | C2 | C1 | H8 | 7.6° | 30.3° |
| C3 | C2 | C1 | H9 | 126.9° | 150.3° |
| C5 | C4 | C3 | H2 | 180.0° | 179.6° |
| C5 | C4 | C3 | H7 | 179.9° | 179.8° |
| C3 | C4 | C5 | H3 | 179.9° | 179.7° |
| H2 | C4 | C5 | H3 | 0.1° | 0.1° |
| H2 | C4 | C3 | H7 | 0.1° | 0.1° |
| H5 | C10 | C11 | H11 | 0.4° | 0.0° |
| H10 | C12 | C11 | H11 | 0.1° | 0.3° |
