141
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N8 | C7 | sing | 1.35Å | 1.31Å | |
| N8 | N9 | sing | 1.40Å | 1.36Å | |
| C7 | C5 | doub | 1.38Å | 1.42Å | |
| N9 | C4 | sing | 1.37Å | 1.35Å | |
| C5 | C4 | sing | 1.47Å | 1.37Å | |
| C5 | C6 | sing | 1.47Å | 1.43Å | |
| C4 | N3 | doub | 1.32Å | 1.38Å | |
| C6 | O6 | doub | 1.22Å | 1.38Å | |
| C6 | N1 | sing | 1.35Å | 1.38Å | |
| N3 | C2 | sing | 1.33Å | 1.30Å | |
| N1 | C2 | sing | 1.34Å | 1.37Å | |
| C2 | O2 | doub | 1.22Å | 1.26Å | |
| C7 | H1 | sing | 1.08Å | 1.08Å | |
| N8 | H2 | sing | 0.97Å | 1.00Å | |
| N1 | H4 | sing | 0.97Å | 1.00Å | |
| N9 | H5 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C7 | N8 | N9 | 102.7° | 110.1° |
| N8 | C7 | C5 | 113.8° | 108.7° |
| N8 | C7 | H1 | 123.1° | 125.6° |
| C7 | N8 | H2 | 111.1° | 125.0° |
| N8 | N9 | C4 | 113.7° | 108.2° |
| N9 | N8 | H2 | 111.1° | 124.9° |
| N8 | N9 | H5 | 123.2° | 126.0° |
| C7 | C5 | C4 | 103.3° | 107.0° |
| C7 | C5 | C6 | 139.0° | 135.5° |
| C5 | C7 | H1 | 123.1° | 125.6° |
| N9 | C4 | C5 | 106.5° | 106.1° |
| N9 | C4 | N3 | 125.7° | 135.3° |
| C4 | N9 | H5 | 123.2° | 125.9° |
| C4 | C5 | C6 | 117.7° | 117.5° |
| C5 | C4 | N3 | 127.8° | 118.6° |
| C5 | C6 | O6 | 131.7° | 121.3° |
| C5 | C6 | N1 | 111.9° | 117.4° |
| C4 | N3 | C2 | 113.8° | 121.5° |
| O6 | C6 | N1 | 116.4° | 121.3° |
| C6 | N1 | C2 | 126.9° | 121.1° |
| C6 | N1 | H4 | 116.6° | 119.5° |
| N3 | C2 | N1 | 121.9° | 123.9° |
| N3 | C2 | O2 | 119.8° | 118.1° |
| N1 | C2 | O2 | 118.3° | 118.1° |
| C2 | N1 | H4 | 116.5° | 119.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C7 | N8 | N9 | H2 | 118.9° | 179.9° |
| N8 | C7 | C5 | H1 | 180.0° | 180.0° |
| C7 | N8 | N9 | C4 | 0.5° | 0.1° |
| N8 | C7 | C5 | C4 | 0.1° | 0.0° |
| N8 | C7 | C5 | C6 | 179.1° | 179.9° |
| C7 | N8 | N9 | H5 | 179.5° | 180.0° |
| N9 | N8 | C7 | C5 | 0.4° | 0.0° |
| N8 | N9 | C4 | H5 | 180.0° | 179.9° |
| N8 | N9 | C4 | C5 | 0.5° | 0.1° |
| N8 | N9 | C4 | N3 | 179.9° | 180.0° |
| N9 | N8 | C7 | H1 | 179.6° | 180.0° |
| C7 | C5 | C4 | N9 | 0.2° | 0.1° |
| C7 | C5 | C4 | C6 | 179.4° | 179.9° |
| C7 | C5 | C4 | N3 | 179.6° | 180.0° |
| C7 | C5 | C6 | O6 | 2.0° | 0.1° |
| C7 | C5 | C6 | N1 | 179.6° | 179.7° |
| C5 | C7 | N8 | H2 | 118.5° | 179.9° |
| N9 | C4 | C5 | N3 | 179.4° | 180.0° |
| N9 | C4 | C5 | C6 | 179.7° | 180.0° |
| N9 | C4 | N3 | C2 | 179.5° | 179.9° |
| C4 | N9 | N8 | H2 | 118.4° | 180.0° |
| C4 | C5 | C6 | O6 | 177.2° | 180.0° |
| C4 | C5 | C6 | N1 | 1.3° | 0.2° |
| C5 | C4 | N3 | C2 | 0.3° | 0.0° |
| C4 | C5 | C7 | H1 | 179.9° | 180.0° |
| C5 | C4 | N9 | H5 | 179.5° | 180.0° |
| C6 | C5 | C4 | N3 | 1.0° | 0.0° |
| C5 | C6 | O6 | N1 | 178.4° | 179.8° |
| C5 | C6 | N1 | C2 | 1.2° | 0.5° |
| C6 | C5 | C7 | H1 | 0.9° | 0.1° |
| C5 | C6 | N1 | H4 | 178.8° | 179.7° |
| C4 | N3 | C2 | N1 | 0.1° | 0.3° |
| C4 | N3 | C2 | O2 | 179.8° | 180.0° |
| N3 | C4 | N9 | H5 | 0.1° | 0.1° |
| O6 | C6 | N1 | C2 | 177.5° | 179.7° |
| O6 | C6 | N1 | H4 | 2.5° | 0.1° |
| C6 | N1 | C2 | N3 | 0.6° | 0.6° |
| C6 | N1 | C2 | H4 | 180.0° | 179.8° |
| C6 | N1 | C2 | O2 | 179.3° | 179.7° |
| N3 | C2 | N1 | O2 | 179.9° | 179.7° |
| N3 | C2 | N1 | H4 | 179.3° | 179.7° |
| O2 | C2 | N1 | H4 | 0.8° | 0.0° |
| H1 | C7 | N8 | H2 | 61.5° | 0.1° |
| H2 | N8 | N9 | H5 | 61.6° | 0.1° |
