DUC
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N3 | C2 | sing | 1.34Å | 1.37Å | |
| N3 | C4 | sing | 1.35Å | 1.41Å | |
| N3 | HN3 | sing | 0.97Å | 1.02Å | |
| C2 | O2 | doub | 1.22Å | 1.21Å | |
| C2 | N1 | sing | 1.34Å | 1.39Å | |
| N1 | C6 | sing | 1.46Å | 1.38Å | |
| N1 | HN1 | sing | 0.97Å | 1.02Å | |
| C6 | C5 | sing | 1.53Å | 1.35Å | |
| C6 | H61 | sing | 1.09Å | 1.12Å | |
| C6 | H62 | sing | 1.09Å | 1.12Å | |
| C5 | C4 | sing | 1.51Å | 1.45Å | |
| C5 | H51 | sing | 1.09Å | 1.12Å | |
| C5 | H52 | sing | 1.09Å | 1.11Å | |
| C4 | O4 | doub | 1.21Å | 1.44Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | N3 | C4 | 126.7° | 121.0° |
| C2 | N3 | HN3 | 114.8° | 119.6° |
| N3 | C2 | O2 | 121.0° | 119.2° |
| N3 | C2 | N1 | 115.8° | 121.6° |
| C4 | N3 | HN3 | 118.5° | 119.5° |
| N3 | C4 | C5 | 113.7° | 120.0° |
| N3 | C4 | O4 | 109.2° | 120.0° |
| O2 | C2 | N1 | 122.4° | 119.2° |
| C2 | N1 | C6 | 120.9° | 120.9° |
| C2 | N1 | HN1 | 120.0° | 119.6° |
| C6 | N1 | HN1 | 119.1° | 119.5° |
| N1 | C6 | C5 | 122.7° | 109.5° |
| N1 | C6 | H61 | 107.5° | 109.5° |
| N1 | C6 | H62 | 107.5° | 109.4° |
| C5 | C6 | H61 | 107.5° | 109.5° |
| C5 | C6 | H62 | 107.5° | 109.4° |
| C6 | C5 | C4 | 119.9° | 109.2° |
| C6 | C5 | H51 | 108.5° | 109.6° |
| C6 | C5 | H52 | 108.5° | 109.5° |
| H61 | C6 | H62 | 102.3° | 109.4° |
| C4 | C5 | H51 | 108.5° | 109.6° |
| C4 | C5 | H52 | 108.5° | 109.5° |
| C5 | C4 | O4 | 109.1° | 120.0° |
| H51 | C5 | H52 | 101.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | N3 | C4 | HN3 | 180.0° | 179.6° |
| N3 | C2 | O2 | N1 | 169.0° | 179.8° |
| N3 | C2 | N1 | C6 | 3.2° | 5.5° |
| N3 | C2 | N1 | HN1 | 176.8° | 174.5° |
| C2 | N3 | C4 | C5 | 3.5° | 4.0° |
| C2 | N3 | C4 | O4 | 118.6° | 175.8° |
| C4 | N3 | C2 | O2 | 170.6° | 167.8° |
| C4 | N3 | C2 | N1 | 1.0° | 12.4° |
| N3 | C4 | C5 | C6 | 6.0° | 34.0° |
| N3 | C4 | C5 | O4 | 122.2° | 179.8° |
| N3 | C4 | C5 | H51 | 119.2° | 154.0° |
| N3 | C4 | C5 | H52 | 131.3° | 85.9° |
| HN3 | N3 | C2 | O2 | 9.4° | 11.8° |
| HN3 | N3 | C2 | N1 | 179.1° | 168.0° |
| HN3 | N3 | C4 | C5 | 176.4° | 175.6° |
| HN3 | N3 | C4 | O4 | 61.4° | 4.6° |
| O2 | C2 | N1 | C6 | 172.7° | 174.3° |
| O2 | C2 | N1 | HN1 | 7.3° | 5.7° |
| C2 | N1 | C6 | HN1 | 180.0° | 180.0° |
| C2 | N1 | C6 | C5 | 0.6° | 35.8° |
| C2 | N1 | C6 | H61 | 124.6° | 155.9° |
| C2 | N1 | C6 | H62 | 125.9° | 84.1° |
| N1 | C6 | C5 | H61 | 125.2° | 120.1° |
| N1 | C6 | C5 | H62 | 125.3° | 120.0° |
| N1 | C6 | H61 | H62 | 113.0° | 120.0° |
| N1 | C6 | C5 | C4 | 4.3° | 46.7° |
| N1 | C6 | C5 | H51 | 121.0° | 166.6° |
| N1 | C6 | C5 | H52 | 129.6° | 73.2° |
| HN1 | N1 | C6 | C5 | 179.4° | 144.2° |
| HN1 | N1 | C6 | H61 | 55.4° | 24.1° |
| HN1 | N1 | C6 | H62 | 54.1° | 95.9° |
| C5 | C6 | H61 | H62 | 113.0° | 119.9° |
| C6 | C5 | C4 | H51 | 125.3° | 120.0° |
| C6 | C5 | C4 | H52 | 125.3° | 119.9° |
| C6 | C5 | H51 | H52 | 114.1° | 120.1° |
| C6 | C5 | C4 | O4 | 116.2° | 145.8° |
| H61 | C6 | C5 | C4 | 129.5° | 166.7° |
| H61 | C6 | C5 | H51 | 4.3° | 73.3° |
| H61 | C6 | C5 | H52 | 105.2° | 46.9° |
| H62 | C6 | C5 | C4 | 121.0° | 73.3° |
| H62 | C6 | C5 | H51 | 113.8° | 46.7° |
| H62 | C6 | C5 | H52 | 4.3° | 166.8° |
| C4 | C5 | H51 | H52 | 114.1° | 120.1° |
| H51 | C5 | C4 | O4 | 118.5° | 25.8° |
| H52 | C5 | C4 | O4 | 9.1° | 94.3° |
