UVG
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O | C2 | doub | 1.22Å | 1.21Å | |
| C1 | N | sing | 1.46Å | 1.47Å | |
| C2 | N | sing | 1.35Å | 1.41Å | |
| C2 | C3 | sing | 1.47Å | 1.45Å | |
| C4 | C3 | doub | 1.38Å | 1.44Å | Aromatic |
| C4 | N1 | sing | 1.34Å | 1.34Å | Aromatic |
| N | C | sing | 1.47Å | 1.47Å | |
| C3 | C5 | sing | 1.41Å | 1.40Å | Aromatic |
| N1 | N2 | sing | 1.40Å | 1.37Å | Aromatic |
| C5 | N2 | doub | 1.30Å | 1.37Å | Aromatic |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| C4 | H2 | sing | 1.08Å | 1.08Å | |
| C5 | H3 | sing | 1.08Å | 1.08Å | |
| C | H4 | sing | 1.09Å | 1.10Å | |
| C | H5 | sing | 1.09Å | 1.10Å | |
| C | H6 | sing | 1.09Å | 1.10Å | |
| C1 | H7 | sing | 1.09Å | 1.10Å | |
| C1 | H8 | sing | 1.09Å | 1.10Å | |
| C1 | H9 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O | C2 | N | 118.3° | 120.0° |
| O | C2 | C3 | 114.9° | 120.0° |
| C1 | N | C2 | 118.2° | 120.0° |
| C1 | N | C | 115.0° | 120.0° |
| N | C1 | H7 | 109.5° | 109.5° |
| N | C1 | H8 | 109.5° | 109.5° |
| N | C1 | H9 | 109.5° | 109.5° |
| N | C2 | C3 | 126.7° | 120.0° |
| C2 | N | C | 126.8° | 120.0° |
| C2 | C3 | C4 | 123.6° | 126.4° |
| C2 | C3 | C5 | 129.7° | 126.4° |
| C3 | C4 | N1 | 110.6° | 107.4° |
| C4 | C3 | C5 | 106.5° | 107.2° |
| C3 | C4 | H2 | 124.7° | 126.3° |
| C4 | N1 | N2 | 104.2° | 108.5° |
| C4 | N1 | H1 | 127.9° | 125.8° |
| N1 | C4 | H2 | 124.7° | 126.2° |
| N | C | H4 | 109.5° | 109.4° |
| N | C | H5 | 109.5° | 109.5° |
| N | C | H6 | 109.4° | 109.4° |
| C3 | C5 | N2 | 103.9° | 108.0° |
| C3 | C5 | H3 | 128.0° | 126.0° |
| N1 | N2 | C5 | 114.7° | 108.9° |
| N2 | N1 | H1 | 127.9° | 125.7° |
| N2 | C5 | H3 | 128.0° | 126.0° |
| H4 | C | H5 | 109.5° | 109.5° |
| H4 | C | H6 | 109.5° | 109.5° |
| H5 | C | H6 | 109.5° | 109.5° |
| H7 | C1 | H8 | 109.5° | 109.5° |
| H7 | C1 | H9 | 109.5° | 109.5° |
| H8 | C1 | H9 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O | C2 | N | C1 | 15.6° | 173.6° |
| O | C2 | N | C3 | 175.2° | 180.0° |
| O | C2 | C3 | C4 | 1.7° | 7.7° |
| O | C2 | N | C | 164.1° | 6.5° |
| O | C2 | C3 | C5 | 172.5° | 172.3° |
| C1 | N | C2 | C | 179.7° | 180.0° |
| C1 | N | C2 | C3 | 159.6° | 6.5° |
| C1 | N | C | H4 | 180.0° | 90.0° |
| C1 | N | C | H5 | 60.0° | 150.0° |
| C1 | N | C | H6 | 60.0° | 29.9° |
| N | C1 | H7 | H8 | 120.0° | 120.0° |
| N | C1 | H7 | H9 | 120.0° | 120.0° |
| N | C1 | H8 | H9 | 120.0° | 120.0° |
| N | C2 | C3 | C4 | 177.0° | 172.3° |
| N | C2 | C3 | C5 | 2.8° | 7.7° |
| C2 | N | C | H4 | 0.3° | 90.0° |
| C2 | N | C | H5 | 119.7° | 30.0° |
| C2 | N | C | H6 | 120.3° | 150.0° |
| C2 | N | C1 | H7 | 180.0° | 83.9° |
| C2 | N | C1 | H8 | 60.0° | 36.1° |
| C2 | N | C1 | H9 | 60.0° | 156.0° |
| C2 | C3 | C4 | C5 | 175.3° | 180.0° |
| C2 | C3 | C4 | N1 | 174.5° | 180.0° |
| C3 | C2 | N | C | 20.8° | 173.5° |
| C2 | C3 | C5 | N2 | 174.2° | 180.0° |
| C2 | C3 | C4 | H2 | 5.5° | 0.0° |
| C2 | C3 | C5 | H3 | 5.8° | 0.0° |
| C3 | C4 | N1 | H2 | 180.0° | 180.0° |
| C3 | C4 | N1 | N2 | 0.6° | 0.0° |
| C4 | C3 | C5 | N2 | 0.8° | 0.0° |
| C3 | C4 | N1 | H1 | 179.5° | 179.8° |
| C4 | C3 | C5 | H3 | 179.2° | 180.0° |
| N1 | C4 | C3 | C5 | 0.9° | 0.0° |
| C4 | N1 | N2 | H1 | 180.0° | 179.8° |
| C4 | N1 | N2 | C5 | 0.1° | 0.0° |
| N | C | H4 | H5 | 120.0° | 120.0° |
| N | C | H4 | H6 | 120.0° | 119.9° |
| N | C | H5 | H6 | 120.0° | 120.0° |
| C | N | C1 | H7 | 0.3° | 96.0° |
| C | N | C1 | H8 | 119.7° | 143.9° |
| C | N | C1 | H9 | 120.3° | 24.0° |
| C3 | C5 | N2 | N1 | 0.5° | 0.0° |
| C3 | C5 | N2 | H3 | 180.0° | 180.0° |
| C5 | C3 | C4 | H2 | 179.1° | 180.0° |
| N2 | N1 | C4 | H2 | 179.5° | 180.0° |
| N1 | N2 | C5 | H3 | 179.5° | 180.0° |
| C5 | N2 | N1 | H1 | 180.0° | 179.8° |
| H1 | N1 | C4 | H2 | 0.5° | 0.2° |
| H4 | C | H5 | H6 | 120.0° | 120.0° |
| H7 | C1 | H8 | H9 | 120.0° | 120.0° |
