2UC
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C4 | C6 | doub | 1.38Å | 1.42Å | Aromatic |
| C4 | C3 | sing | 1.38Å | 1.41Å | Aromatic |
| C6 | C7 | sing | 1.38Å | 1.43Å | Aromatic |
| C1 | C3 | sing | 1.51Å | 1.50Å | |
| C1 | C2 | sing | 1.51Å | 1.51Å | |
| C3 | C5 | doub | 1.38Å | 1.42Å | Aromatic |
| C7 | C8 | doub | 1.38Å | 1.41Å | Aromatic |
| O | C2 | doub | 1.21Å | 1.22Å | |
| C5 | C8 | sing | 1.38Å | 1.41Å | Aromatic |
| C8 | C9 | sing | 1.51Å | 1.51Å | |
| C9 | N1 | sing | 1.47Å | 1.46Å | |
| N1 | C10 | sing | 1.37Å | 1.33Å | |
| C10 | N2 | doub | 1.30Å | 1.34Å | |
| C10 | N3 | sing | 1.38Å | 1.32Å | |
| C5 | H1 | sing | 1.08Å | 1.08Å | |
| C6 | H2 | sing | 1.08Å | 1.08Å | |
| N1 | H3 | sing | 0.97Å | 1.00Å | |
| N2 | H5 | sing | 0.97Å | 1.00Å | |
| N3 | H6 | sing | 0.97Å | 1.00Å | |
| N3 | H7 | sing | 0.97Å | 1.00Å | |
| C4 | H8 | sing | 1.08Å | 1.08Å | |
| C1 | H9 | sing | 1.09Å | 1.10Å | |
| C1 | H10 | sing | 1.09Å | 1.10Å | |
| C7 | H11 | sing | 1.08Å | 1.08Å | |
| C9 | H12 | sing | 1.09Å | 1.10Å | |
| C9 | H13 | sing | 1.09Å | 1.10Å | |
| C2 | OXT | sing | 1.34Å | 41.65Å | |
| OXT | HXT | sing | 0.97Å | 0.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C6 | C4 | C3 | 120.3° | 120.0° |
| C4 | C6 | C7 | 119.4° | 120.0° |
| C4 | C6 | H2 | 120.3° | 120.1° |
| C6 | C4 | H8 | 119.8° | 120.0° |
| C4 | C3 | C1 | 120.1° | 120.0° |
| C4 | C3 | C5 | 119.2° | 120.0° |
| C3 | C4 | H8 | 119.8° | 120.0° |
| C6 | C7 | C8 | 120.7° | 119.9° |
| C7 | C6 | H2 | 120.3° | 119.9° |
| C6 | C7 | H11 | 119.7° | 120.0° |
| C3 | C1 | C2 | 114.1° | 109.5° |
| C1 | C3 | C5 | 120.5° | 120.0° |
| C3 | C1 | H9 | 108.3° | 109.4° |
| C3 | C1 | H10 | 108.3° | 109.5° |
| C1 | C2 | O | 122.3° | 120.0° |
| C2 | C1 | H9 | 108.3° | 109.5° |
| C2 | C1 | H10 | 108.3° | 109.5° |
| C1 | C2 | OXT | 134.3° | 120.0° |
| C3 | C5 | C8 | 121.6° | 120.0° |
| C3 | C5 | H1 | 119.2° | 120.1° |
| C7 | C8 | C5 | 118.8° | 120.0° |
| C7 | C8 | C9 | 120.3° | 120.0° |
| C8 | C7 | H11 | 119.6° | 120.0° |
| O | C2 | OXT | 16.8° | 120.0° |
| C5 | C8 | C9 | 120.9° | 120.0° |
| C8 | C5 | H1 | 119.2° | 120.0° |
| C8 | C9 | N1 | 111.3° | 109.5° |
| C8 | C9 | H12 | 109.0° | 109.5° |
| C8 | C9 | H13 | 109.0° | 109.5° |
| C9 | N1 | C10 | 124.9° | 120.0° |
| C9 | N1 | H3 | 117.6° | 120.0° |
| N1 | C9 | H12 | 109.0° | 109.5° |
| N1 | C9 | H13 | 109.1° | 109.4° |
| N1 | C10 | N2 | 120.8° | 120.0° |
| N1 | C10 | N3 | 119.4° | 120.0° |
| C10 | N1 | H3 | 117.6° | 120.0° |
| N2 | C10 | N3 | 119.7° | 120.0° |
| C10 | N2 | H5 | 112.0° | 120.0° |
| C10 | N3 | H6 | 120.0° | 119.9° |
| C10 | N3 | H7 | 120.0° | 120.0° |
| H6 | N3 | H7 | 120.0° | 120.0° |
| H9 | C1 | H10 | 109.5° | 109.4° |
| H12 | C9 | H13 | 109.5° | 109.5° |
| C2 | OXT | HXT | 90.0° | 117.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C6 | C4 | C3 | H8 | 180.0° | 179.7° |
| C4 | C6 | C7 | H2 | 180.0° | 180.0° |
| C6 | C4 | C3 | C1 | 173.8° | 179.8° |
| C6 | C4 | C3 | C5 | 0.5° | 0.2° |
| C4 | C6 | C7 | C8 | 0.3° | 0.0° |
| C4 | C6 | C7 | H11 | 179.7° | 179.9° |
| C3 | C4 | C6 | C7 | 0.1° | 0.3° |
| C4 | C3 | C1 | C5 | 174.3° | 180.0° |
| C4 | C3 | C1 | C2 | 87.1° | 90.0° |
| C4 | C3 | C5 | C8 | 0.6° | 0.0° |
| C4 | C3 | C5 | H1 | 179.4° | 180.0° |
| C3 | C4 | C6 | H2 | 179.9° | 179.7° |
| C4 | C3 | C1 | H9 | 152.2° | 30.0° |
| C4 | C3 | C1 | H10 | 33.6° | 150.0° |
| C6 | C7 | C8 | H11 | 180.0° | 179.9° |
| C6 | C7 | C8 | C5 | 0.2° | 0.2° |
| C6 | C7 | C8 | C9 | 179.7° | 180.0° |
| C7 | C6 | C4 | H8 | 179.9° | 180.0° |
| C3 | C1 | C2 | H9 | 120.7° | 120.0° |
| C3 | C1 | C2 | H10 | 120.7° | 120.0° |
| C3 | C1 | C2 | O | 55.3° | 0.0° |
| C1 | C3 | C5 | C8 | 173.7° | 180.0° |
| C1 | C3 | C5 | H1 | 6.3° | 0.0° |
| C1 | C3 | C4 | H8 | 6.2° | 0.0° |
| C3 | C1 | H9 | H10 | 117.9° | 120.0° |
| C3 | C1 | C2 | OXT | 40.0° | 180.0° |
| C2 | C1 | C3 | C5 | 87.2° | 90.0° |
| C1 | C2 | O | OXT | 139.5° | 180.0° |
| C2 | C1 | H9 | H10 | 117.9° | 120.0° |
| C1 | C2 | OXT | HXT | 90.0° | 180.0° |
| C3 | C5 | C8 | C7 | 0.2° | 0.3° |
| C3 | C5 | C8 | H1 | 180.0° | 180.0° |
| C3 | C5 | C8 | C9 | 179.2° | 180.0° |
| C5 | C3 | C4 | H8 | 179.4° | 180.0° |
| C5 | C3 | C1 | H9 | 33.5° | 150.0° |
| C5 | C3 | C1 | H10 | 152.1° | 30.0° |
| C7 | C8 | C5 | C9 | 179.5° | 179.7° |
| C7 | C8 | C9 | N1 | 49.5° | 90.3° |
| C7 | C8 | C5 | H1 | 179.7° | 179.7° |
| C8 | C7 | C6 | H2 | 179.7° | 180.0° |
| C7 | C8 | C9 | H12 | 70.7° | 29.7° |
| C7 | C8 | C9 | H13 | 169.8° | 149.8° |
| O | C2 | C1 | H9 | 175.9° | 120.0° |
| O | C2 | C1 | H10 | 65.4° | 120.0° |
| O | C2 | OXT | HXT | 90.0° | 0.0° |
| C5 | C8 | C9 | N1 | 129.9° | 90.0° |
| C5 | C8 | C7 | H11 | 179.8° | 179.6° |
| C5 | C8 | C9 | H12 | 109.8° | 150.0° |
| C5 | C8 | C9 | H13 | 9.6° | 30.0° |
| C8 | C9 | N1 | H12 | 120.2° | 120.0° |
| C8 | C9 | N1 | H13 | 120.3° | 120.1° |
| C8 | C9 | N1 | C10 | 90.3° | 180.0° |
| C9 | C8 | C5 | H1 | 0.8° | 0.0° |
| C8 | C9 | N1 | H3 | 89.7° | 0.0° |
| C9 | C8 | C7 | H11 | 0.3° | 0.1° |
| C8 | C9 | H12 | H13 | 119.1° | 120.1° |
| C9 | N1 | C10 | H3 | 180.0° | 180.0° |
| C9 | N1 | C10 | N2 | 4.5° | 0.0° |
| C9 | N1 | C10 | N3 | 178.5° | 180.0° |
| N1 | C9 | H12 | H13 | 119.2° | 119.9° |
| N1 | C10 | N2 | N3 | 177.0° | 179.9° |
| N1 | C10 | N2 | H5 | 177.1° | 180.0° |
| N1 | C10 | N3 | H6 | 177.1° | 0.0° |
| N1 | C10 | N3 | H7 | 2.9° | 179.9° |
| C10 | N1 | C9 | H12 | 149.5° | 60.0° |
| C10 | N1 | C9 | H13 | 30.0° | 60.0° |
| N2 | C10 | N1 | H3 | 175.5° | 180.0° |
| N2 | C10 | N3 | H6 | 0.0° | 180.0° |
| N2 | C10 | N3 | H7 | 180.0° | 0.0° |
| N3 | C10 | N1 | H3 | 1.6° | 0.0° |
| N3 | C10 | N2 | H5 | 0.0° | 0.1° |
| C10 | N3 | H6 | H7 | 180.0° | 180.0° |
| H2 | C6 | C4 | H8 | 0.1° | 0.0° |
| H2 | C6 | C7 | H11 | 0.3° | 0.1° |
| H3 | N1 | C9 | H12 | 30.5° | 120.0° |
| H3 | N1 | C9 | H13 | 150.0° | 120.0° |
| H9 | C1 | C2 | OXT | 160.7° | 60.0° |
| H10 | C1 | C2 | OXT | 80.7° | 60.0° |
