1RT
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O22 | C21 | doub | 1.22Å | 1.27Å | |
| O23 | C21 | sing | 1.35Å | 1.27Å | |
| N4 | C4 | sing | 1.37Å | 1.36Å | |
| C21 | C5 | sing | 1.47Å | 1.51Å | |
| C4 | C5 | sing | 1.47Å | 1.39Å | |
| C4 | N3 | doub | 1.33Å | 1.35Å | |
| C5 | C6 | doub | 1.38Å | 1.39Å | |
| N3 | C2 | sing | 1.33Å | 1.36Å | |
| C6 | N1 | sing | 1.35Å | 1.34Å | |
| C2 | N1 | sing | 1.34Å | 1.40Å | |
| C2 | O2 | doub | 1.22Å | 1.26Å | |
| N4 | H1 | sing | 0.97Å | 1.00Å | |
| N4 | H2 | sing | 0.97Å | 1.00Å | |
| C6 | H4 | sing | 1.08Å | 1.08Å | |
| O23 | H5 | sing | 0.97Å | 0.95Å | |
| N1 | H6 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O22 | C21 | O23 | 123.0° | 120.0° |
| O22 | C21 | C5 | 119.9° | 120.0° |
| O23 | C21 | C5 | 117.1° | 120.0° |
| C21 | O23 | H5 | 109.5° | 117.0° |
| N4 | C4 | C5 | 122.3° | 120.7° |
| N4 | C4 | N3 | 118.0° | 120.7° |
| C4 | N4 | H1 | 120.0° | 120.0° |
| C4 | N4 | H2 | 120.0° | 120.0° |
| C21 | C5 | C4 | 121.7° | 121.0° |
| C21 | C5 | C6 | 119.4° | 121.0° |
| C5 | C4 | N3 | 119.7° | 118.6° |
| C4 | C5 | C6 | 118.9° | 118.0° |
| C4 | N3 | C2 | 121.5° | 120.9° |
| C5 | C6 | N1 | 121.1° | 119.0° |
| C5 | C6 | H4 | 119.5° | 120.5° |
| N3 | C2 | N1 | 119.6° | 122.3° |
| N3 | C2 | O2 | 121.4° | 118.9° |
| C6 | N1 | C2 | 119.2° | 121.2° |
| N1 | C6 | H4 | 119.5° | 120.5° |
| C6 | N1 | H6 | 120.4° | 119.4° |
| N1 | C2 | O2 | 119.0° | 118.8° |
| C2 | N1 | H6 | 120.4° | 119.4° |
| H1 | N4 | H2 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O22 | C21 | O23 | C5 | 177.9° | 179.9° |
| O22 | C21 | C5 | C4 | 10.3° | 174.6° |
| O22 | C21 | C5 | C6 | 170.8° | 5.7° |
| O22 | C21 | O23 | H5 | 0.0° | 0.0° |
| O23 | C21 | C5 | C4 | 167.6° | 5.4° |
| O23 | C21 | C5 | C6 | 11.2° | 174.3° |
| N4 | C4 | C5 | C21 | 1.0° | 0.3° |
| N4 | C4 | C5 | N3 | 179.9° | 179.7° |
| N4 | C4 | C5 | C6 | 179.9° | 180.0° |
| N4 | C4 | N3 | C2 | 179.8° | 179.7° |
| C4 | N4 | H1 | H2 | 180.0° | 180.0° |
| C21 | C5 | C4 | C6 | 178.9° | 179.7° |
| C21 | C5 | C4 | N3 | 178.9° | 180.0° |
| C21 | C5 | C6 | N1 | 178.1° | 179.8° |
| C21 | C5 | C6 | H4 | 1.8° | 0.3° |
| C5 | C21 | O23 | H5 | 177.9° | 180.0° |
| C5 | C4 | N3 | C2 | 0.1° | 0.0° |
| C4 | C5 | C6 | N1 | 0.8° | 0.5° |
| C5 | C4 | N4 | H1 | 179.9° | 5.3° |
| C5 | C4 | N4 | H2 | 0.1° | 174.7° |
| C4 | C5 | C6 | H4 | 179.2° | 180.0° |
| N3 | C4 | C5 | C6 | 0.0° | 0.3° |
| C4 | N3 | C2 | N1 | 0.6° | 0.0° |
| C4 | N3 | C2 | O2 | 180.0° | 180.0° |
| N3 | C4 | N4 | H1 | 0.0° | 174.9° |
| N3 | C4 | N4 | H2 | 180.0° | 5.0° |
| C5 | C6 | N1 | H4 | 180.0° | 179.4° |
| C5 | C6 | N1 | C2 | 1.5° | 0.5° |
| C5 | C6 | N1 | H6 | 178.5° | 179.8° |
| N3 | C2 | N1 | C6 | 1.3° | 0.3° |
| N3 | C2 | N1 | O2 | 179.5° | 180.0° |
| N3 | C2 | N1 | H6 | 178.6° | 180.0° |
| C6 | N1 | C2 | H6 | 180.0° | 179.7° |
| C6 | N1 | C2 | O2 | 179.2° | 179.7° |
| C2 | N1 | C6 | H4 | 178.6° | 180.0° |
| O2 | C2 | N1 | H6 | 0.9° | 0.0° |
| H4 | C6 | N1 | H6 | 1.5° | 0.3° |
