UGC
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C1 | sing | 1.35Å | 1.43Å | |
| C1 | N2 | sing | 1.35Å | 1.44Å | |
| C1 | O1 | doub | 1.22Å | 1.23Å | |
| N2 | C2 | sing | 1.47Å | 1.43Å | |
| C2 | O2 | sing | 1.43Å | 1.37Å | |
| C2 | C3 | sing | 1.51Å | 1.48Å | |
| O4 | C3 | doub | 1.21Å | 1.28Å | |
| C3 | O3 | sing | 1.34Å | 1.25Å | |
| O3 | H1 | sing | 0.97Å | 0.95Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| O2 | H3 | sing | 0.97Å | 0.95Å | |
| N2 | H4 | sing | 0.97Å | 1.00Å | |
| N1 | H5 | sing | 0.97Å | 1.00Å | |
| N1 | H6 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N1 | C1 | N2 | 122.3° | 120.0° |
| N1 | C1 | O1 | 121.4° | 120.0° |
| C1 | N1 | H5 | 120.0° | 120.0° |
| C1 | N1 | H6 | 120.0° | 120.0° |
| N2 | C1 | O1 | 116.3° | 120.0° |
| C1 | N2 | C2 | 103.4° | 120.0° |
| C1 | N2 | H4 | 128.3° | 120.0° |
| N2 | C2 | O2 | 112.1° | 109.5° |
| N2 | C2 | C3 | 112.2° | 109.4° |
| N2 | C2 | H2 | 104.0° | 109.5° |
| C2 | N2 | H4 | 128.3° | 120.0° |
| O2 | C2 | C3 | 118.5° | 109.4° |
| O2 | C2 | H2 | 104.7° | 109.5° |
| C2 | O2 | H3 | 109.5° | 114.1° |
| C2 | C3 | O4 | 119.0° | 120.0° |
| C2 | C3 | O3 | 119.7° | 120.0° |
| C3 | C2 | H2 | 103.5° | 109.5° |
| O4 | C3 | O3 | 121.2° | 120.0° |
| C3 | O3 | H1 | 109.5° | 117.0° |
| H5 | N1 | H6 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N1 | C1 | N2 | O1 | 179.9° | 180.0° |
| N1 | C1 | N2 | C2 | 180.0° | 180.0° |
| N1 | C1 | N2 | H4 | 0.0° | 0.0° |
| C1 | N1 | H5 | H6 | 180.0° | 179.9° |
| C1 | N2 | C2 | H4 | 180.0° | 180.0° |
| C1 | N2 | C2 | O2 | 113.4° | 100.0° |
| C1 | N2 | C2 | C3 | 110.3° | 140.0° |
| C1 | N2 | C2 | H2 | 0.9° | 20.0° |
| N2 | C1 | N1 | H5 | 179.9° | 0.0° |
| N2 | C1 | N1 | H6 | 0.1° | 180.0° |
| O1 | C1 | N2 | C2 | 0.1° | 0.0° |
| O1 | C1 | N2 | H4 | 179.9° | 180.0° |
| O1 | C1 | N1 | H5 | 0.0° | 180.0° |
| O1 | C1 | N1 | H6 | 180.0° | 0.0° |
| N2 | C2 | O2 | C3 | 133.2° | 119.9° |
| N2 | C2 | O2 | H2 | 112.1° | 120.1° |
| N2 | C2 | C3 | H2 | 111.5° | 120.0° |
| N2 | C2 | C3 | O4 | 16.6° | 110.0° |
| N2 | C2 | C3 | O3 | 168.5° | 70.0° |
| N2 | C2 | O2 | H3 | 180.0° | 60.0° |
| O2 | C2 | C3 | H2 | 115.3° | 120.0° |
| O2 | C2 | C3 | O4 | 149.7° | 130.0° |
| O2 | C2 | C3 | O3 | 35.3° | 50.0° |
| O2 | C2 | N2 | H4 | 66.6° | 80.0° |
| C2 | C3 | O4 | O3 | 174.8° | 180.0° |
| C2 | C3 | O3 | H1 | 174.8° | 179.9° |
| C3 | C2 | O2 | H3 | 46.8° | 60.0° |
| C3 | C2 | N2 | H4 | 69.6° | 39.9° |
| O4 | C3 | O3 | H1 | 0.0° | 0.0° |
| O4 | C3 | C2 | H2 | 94.9° | 10.0° |
| O3 | C3 | C2 | H2 | 80.0° | 170.0° |
| H2 | C2 | O2 | H3 | 67.9° | 180.0° |
| H2 | C2 | N2 | H4 | 179.1° | 159.9° |
