6GU
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CL6 | C6 | sing | 1.74Å | 1.78Å | |
| N1 | C2 | doub | 1.33Å | 1.50Å | Aromatic |
| N1 | C6 | sing | 1.32Å | 1.45Å | Aromatic |
| C2 | N2 | sing | 1.39Å | 1.45Å | |
| C2 | N3 | sing | 1.32Å | 1.47Å | Aromatic |
| N3 | C4 | doub | 1.33Å | 1.46Å | Aromatic |
| C4 | C5 | sing | 1.41Å | 1.48Å | Aromatic |
| C4 | N9 | sing | 1.37Å | 1.46Å | Aromatic |
| C5 | C6 | doub | 1.40Å | 1.51Å | Aromatic |
| C5 | N7 | sing | 1.36Å | 1.44Å | Aromatic |
| N7 | C8 | doub | 1.30Å | 1.48Å | Aromatic |
| C8 | N9 | sing | 1.36Å | 1.46Å | Aromatic |
| N2 | HN2 | sing | 0.97Å | 1.00Å | |
| N2 | HN2A | sing | 0.97Å | 1.00Å | |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| N9 | HN9 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CL6 | C6 | N1 | 121.0° | 120.7° |
| CL6 | C6 | C5 | 120.1° | 120.7° |
| C2 | N1 | C6 | 119.8° | 121.3° |
| N1 | C2 | N2 | 121.7° | 119.0° |
| N1 | C2 | N3 | 120.8° | 122.2° |
| N1 | C6 | C5 | 118.8° | 118.7° |
| N2 | C2 | N3 | 117.5° | 118.9° |
| C2 | N2 | HN2 | 109.5° | 119.9° |
| C2 | N2 | HN2A | 109.5° | 120.0° |
| C2 | N3 | C4 | 119.7° | 120.4° |
| N3 | C4 | C5 | 119.9° | 119.1° |
| N3 | C4 | N9 | 130.9° | 134.9° |
| C5 | C4 | N9 | 109.2° | 106.0° |
| C4 | C5 | C6 | 120.9° | 118.3° |
| C4 | C5 | N7 | 106.9° | 107.0° |
| C4 | N9 | C8 | 107.1° | 107.5° |
| C4 | N9 | HN9 | 126.4° | 126.3° |
| C6 | C5 | N7 | 132.2° | 134.6° |
| C5 | N7 | C8 | 108.6° | 109.5° |
| N7 | C8 | N9 | 108.2° | 110.0° |
| N7 | C8 | H8 | 125.9° | 125.0° |
| N9 | C8 | H8 | 125.9° | 125.0° |
| C8 | N9 | HN9 | 126.5° | 126.2° |
| HN2 | N2 | HN2A | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CL6 | C6 | N1 | C2 | 179.8° | 180.0° |
| CL6 | C6 | N1 | C5 | 179.8° | 180.0° |
| CL6 | C6 | C5 | C4 | 179.7° | 180.0° |
| CL6 | C6 | C5 | N7 | 0.2° | 0.0° |
| N1 | C2 | N2 | N3 | 179.8° | 180.0° |
| N1 | C2 | N3 | C4 | 0.1° | 0.0° |
| C2 | N1 | C6 | C5 | 0.4° | 0.0° |
| N1 | C2 | N2 | HN2 | 116.6° | 0.1° |
| N1 | C2 | N2 | HN2A | 3.4° | 180.0° |
| C6 | N1 | C2 | N2 | 179.8° | 180.0° |
| C6 | N1 | C2 | N3 | 0.1° | 0.0° |
| N1 | C6 | C5 | C4 | 0.5° | 0.0° |
| N1 | C6 | C5 | N7 | 180.0° | 180.0° |
| N2 | C2 | N3 | C4 | 180.0° | 180.0° |
| C2 | N2 | HN2 | HN2A | 120.0° | 179.9° |
| C2 | N3 | C4 | C5 | 0.0° | 0.0° |
| C2 | N3 | C4 | N9 | 179.5° | 180.0° |
| N3 | C2 | N2 | HN2 | 63.5° | 179.9° |
| N3 | C2 | N2 | HN2A | 176.5° | 0.0° |
| N3 | C4 | C5 | N9 | 179.6° | 180.0° |
| N3 | C4 | C5 | C6 | 0.4° | 0.0° |
| N3 | C4 | C5 | N7 | 179.9° | 180.0° |
| N3 | C4 | N9 | C8 | 179.8° | 180.0° |
| N3 | C4 | N9 | HN9 | 0.2° | 0.0° |
| C4 | C5 | C6 | N7 | 179.4° | 180.0° |
| C4 | C5 | N7 | C8 | 0.3° | 0.0° |
| C5 | C4 | N9 | C8 | 0.2° | 0.0° |
| C5 | C4 | N9 | HN9 | 179.8° | 180.0° |
| N9 | C4 | C5 | C6 | 179.3° | 180.0° |
| N9 | C4 | C5 | N7 | 0.3° | 0.0° |
| C4 | N9 | C8 | N7 | 0.1° | 0.0° |
| C4 | N9 | C8 | HN9 | 180.0° | 180.0° |
| C4 | N9 | C8 | H8 | 179.9° | 179.9° |
| C6 | C5 | N7 | C8 | 179.2° | 180.0° |
| C5 | N7 | C8 | N9 | 0.1° | 0.0° |
| C5 | N7 | C8 | H8 | 179.9° | 179.9° |
| N7 | C8 | N9 | H8 | 180.0° | 179.9° |
| N7 | C8 | N9 | HN9 | 180.0° | 180.0° |
| H8 | C8 | N9 | HN9 | 0.0° | 0.1° |
