7DG
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N9 | C8 | doub | 1.29Å | 1.35Å | |
| N9 | C4 | sing | 1.36Å | 1.34Å | |
| C8 | C7 | sing | 1.52Å | 1.40Å | |
| C8 | H8 | sing | 1.08Å | 1.10Å | |
| C7 | C5 | sing | 1.51Å | 1.39Å | |
| C7 | H71 | sing | 1.09Å | 1.12Å | |
| C7 | H72 | sing | 1.09Å | 1.11Å | |
| C5 | C6 | sing | 1.39Å | 1.40Å | |
| C5 | C4 | doub | 1.39Å | 1.40Å | |
| C6 | O6 | doub | 1.22Å | 1.21Å | |
| C6 | N1 | sing | 1.35Å | 1.36Å | |
| N1 | C2 | sing | 1.36Å | 1.36Å | |
| N1 | HN1 | sing | 0.97Å | 1.02Å | |
| C2 | N2 | sing | 1.37Å | 1.34Å | |
| C2 | N3 | doub | 1.31Å | 1.35Å | |
| N2 | HN21 | sing | 0.97Å | 1.02Å | |
| N2 | HN22 | sing | 0.97Å | 1.02Å | |
| N3 | C4 | sing | 1.35Å | 1.35Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C8 | N9 | C4 | 108.0° | 114.1° |
| N9 | C8 | C7 | 110.1° | 107.5° |
| N9 | C8 | H8 | 123.5° | 126.3° |
| N9 | C4 | C5 | 109.3° | 110.0° |
| N9 | C4 | N3 | 128.9° | 131.5° |
| C7 | C8 | H8 | 126.4° | 126.2° |
| C8 | C7 | C5 | 105.5° | 103.0° |
| C8 | C7 | H71 | 113.7° | 110.7° |
| C8 | C7 | H72 | 113.7° | 110.7° |
| C5 | C7 | H71 | 113.7° | 110.7° |
| C5 | C7 | H72 | 113.7° | 110.7° |
| C7 | C5 | C6 | 134.1° | 134.5° |
| C7 | C5 | C4 | 107.0° | 105.4° |
| H71 | C7 | H72 | 96.8° | 110.7° |
| C6 | C5 | C4 | 118.9° | 120.1° |
| C5 | C6 | O6 | 123.7° | 120.8° |
| C5 | C6 | N1 | 117.4° | 118.4° |
| C5 | C4 | N3 | 121.8° | 118.4° |
| O6 | C6 | N1 | 118.9° | 120.8° |
| C6 | N1 | C2 | 122.4° | 119.8° |
| C6 | N1 | HN1 | 118.6° | 120.1° |
| C2 | N1 | HN1 | 119.0° | 120.1° |
| N1 | C2 | N2 | 122.2° | 119.0° |
| N1 | C2 | N3 | 121.0° | 122.0° |
| N2 | C2 | N3 | 116.8° | 119.0° |
| C2 | N2 | HN21 | 122.2° | 120.0° |
| C2 | N2 | HN22 | 107.6° | 120.0° |
| C2 | N3 | C4 | 118.5° | 121.3° |
| HN21 | N2 | HN22 | 107.8° | 119.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N9 | C8 | C7 | H8 | 180.0° | 179.9° |
| N9 | C8 | C7 | C5 | 0.3° | 0.0° |
| N9 | C8 | C7 | H71 | 125.5° | 118.4° |
| N9 | C8 | C7 | H72 | 125.0° | 118.4° |
| C8 | N9 | C4 | C5 | 0.3° | 0.0° |
| C8 | N9 | C4 | N3 | 179.7° | 180.0° |
| C4 | N9 | C8 | C7 | 0.3° | 0.0° |
| C4 | N9 | C8 | H8 | 179.6° | 179.9° |
| N9 | C4 | C5 | C7 | 0.1° | 0.0° |
| N9 | C4 | C5 | C6 | 179.8° | 180.0° |
| N9 | C4 | C5 | N3 | 179.9° | 180.0° |
| N9 | C4 | N3 | C2 | 179.7° | 180.0° |
| C8 | C7 | C5 | H71 | 125.2° | 118.4° |
| C8 | C7 | C5 | H72 | 125.3° | 118.4° |
| C8 | C7 | H71 | H72 | 119.6° | 123.2° |
| C8 | C7 | C5 | C6 | 180.0° | 179.9° |
| C8 | C7 | C5 | C4 | 0.1° | 0.0° |
| H8 | C8 | C7 | C5 | 179.7° | 179.9° |
| H8 | C8 | C7 | H71 | 54.5° | 61.5° |
| H8 | C8 | C7 | H72 | 55.0° | 61.7° |
| C5 | C7 | H71 | H72 | 119.6° | 123.2° |
| C7 | C5 | C6 | C4 | 179.9° | 179.9° |
| C7 | C5 | C6 | O6 | 0.3° | 0.1° |
| C7 | C5 | C6 | N1 | 179.7° | 179.8° |
| C7 | C5 | C4 | N3 | 179.8° | 180.0° |
| H71 | C7 | C5 | C6 | 54.8° | 61.6° |
| H71 | C7 | C5 | C4 | 125.3° | 118.4° |
| H72 | C7 | C5 | C6 | 54.7° | 61.5° |
| H72 | C7 | C5 | C4 | 125.2° | 118.4° |
| C5 | C6 | O6 | N1 | 180.0° | 179.7° |
| C5 | C6 | N1 | C2 | 0.2° | 0.5° |
| C5 | C6 | N1 | HN1 | 179.8° | 180.0° |
| C6 | C5 | C4 | N3 | 0.3° | 0.0° |
| C4 | C5 | C6 | O6 | 179.5° | 180.0° |
| C4 | C5 | C6 | N1 | 0.5° | 0.3° |
| C5 | C4 | N3 | C2 | 0.2° | 0.0° |
| O6 | C6 | N1 | C2 | 179.8° | 179.8° |
| O6 | C6 | N1 | HN1 | 0.2° | 0.2° |
| C6 | N1 | C2 | HN1 | 180.0° | 179.6° |
| C6 | N1 | C2 | N2 | 179.9° | 179.8° |
| C6 | N1 | C2 | N3 | 0.3° | 0.4° |
| N1 | C2 | N2 | N3 | 179.8° | 179.8° |
| N1 | C2 | N2 | HN21 | 180.0° | 179.8° |
| N1 | C2 | N2 | HN22 | 54.7° | 0.5° |
| N1 | C2 | N3 | C4 | 0.4° | 0.2° |
| HN1 | N1 | C2 | N2 | 0.1° | 0.2° |
| HN1 | N1 | C2 | N3 | 179.7° | 180.0° |
| C2 | N2 | HN21 | HN22 | 125.3° | 179.7° |
| N2 | C2 | N3 | C4 | 179.7° | 180.0° |
| N3 | C2 | N2 | HN21 | 0.2° | 0.0° |
| N3 | C2 | N2 | HN22 | 125.1° | 179.7° |
