6GO
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O6 | C6A | sing | 1.43Å | 1.43Å | |
| C6A | H6A | sing | 1.09Å | 1.10Å | |
| C6A | H6AA | sing | 1.09Å | 1.10Å | |
| C6A | H6AB | sing | 1.09Å | 1.10Å | |
| O6 | C6 | sing | 1.36Å | 1.36Å | |
| C5 | C6 | doub | 1.39Å | 1.39Å | Aromatic |
| C6 | N1 | sing | 1.33Å | 1.34Å | Aromatic |
| N1 | C2 | doub | 1.33Å | 1.35Å | Aromatic |
| N7 | C5 | sing | 1.38Å | 1.32Å | Aromatic |
| C5 | C4 | sing | 1.41Å | 1.39Å | Aromatic |
| C8 | N7 | sing | 1.35Å | 1.34Å | Aromatic |
| C8 | N9 | doub | 1.30Å | 1.32Å | Aromatic |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| N9 | C4 | sing | 1.35Å | 1.34Å | Aromatic |
| C4 | N3 | doub | 1.34Å | 1.33Å | Aromatic |
| N3 | C2 | sing | 1.32Å | 1.34Å | Aromatic |
| C2 | N2 | sing | 1.39Å | 1.33Å | |
| N2 | HN2 | sing | 0.97Å | 1.00Å | |
| N2 | HN2A | sing | 0.97Å | 1.00Å | |
| N7 | HN7 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O6 | C6A | H6A | 109.5° | 109.5° |
| O6 | C6A | H6AA | 109.4° | 109.5° |
| O6 | C6A | H6AB | 109.4° | 109.5° |
| C6A | O6 | C6 | 111.2° | 117.0° |
| H6A | C6A | H6AA | 109.5° | 109.5° |
| H6A | C6A | H6AB | 109.5° | 109.5° |
| H6AA | C6A | H6AB | 109.5° | 109.5° |
| O6 | C6 | C5 | 118.9° | 120.7° |
| O6 | C6 | N1 | 121.8° | 120.6° |
| C5 | C6 | N1 | 119.3° | 118.7° |
| C6 | C5 | N7 | 133.7° | 135.2° |
| C6 | C5 | C4 | 118.2° | 118.8° |
| C6 | N1 | C2 | 121.1° | 121.1° |
| N1 | C2 | N3 | 120.5° | 122.3° |
| N1 | C2 | N2 | 119.8° | 118.8° |
| N7 | C5 | C4 | 108.0° | 106.0° |
| C5 | N7 | C8 | 107.6° | 107.2° |
| C5 | N7 | HN7 | 126.2° | 126.4° |
| C5 | C4 | N9 | 106.1° | 106.8° |
| C5 | C4 | N3 | 120.2° | 118.7° |
| N7 | C8 | N9 | 109.6° | 110.1° |
| N7 | C8 | H8 | 125.2° | 125.0° |
| C8 | N7 | HN7 | 126.2° | 126.4° |
| N9 | C8 | H8 | 125.2° | 124.9° |
| C8 | N9 | C4 | 108.6° | 109.8° |
| N9 | C4 | N3 | 133.6° | 134.4° |
| C4 | N3 | C2 | 120.7° | 120.5° |
| N3 | C2 | N2 | 119.6° | 118.9° |
| C2 | N2 | HN2 | 109.5° | 120.1° |
| C2 | N2 | HN2A | 109.5° | 120.0° |
| HN2 | N2 | HN2A | 109.5° | 119.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O6 | C6A | H6A | H6AA | 120.0° | 120.0° |
| O6 | C6A | H6A | H6AB | 120.0° | 120.0° |
| O6 | C6A | H6AA | H6AB | 120.0° | 120.0° |
| C6A | O6 | C6 | C5 | 178.8° | 179.7° |
| C6A | O6 | C6 | N1 | 2.8° | 0.0° |
| H6A | C6A | H6AA | H6AB | 120.0° | 120.0° |
| H6A | C6A | O6 | C6 | 162.2° | 60.0° |
| H6AA | C6A | O6 | C6 | 77.8° | 60.0° |
| H6AB | C6A | O6 | C6 | 42.3° | 180.0° |
| O6 | C6 | C5 | N1 | 178.4° | 179.7° |
| O6 | C6 | N1 | C2 | 177.9° | 180.0° |
| O6 | C6 | C5 | N7 | 5.2° | 0.0° |
| O6 | C6 | C5 | C4 | 177.7° | 180.0° |
| C5 | C6 | N1 | C2 | 0.4° | 0.2° |
| C6 | C5 | N7 | C4 | 177.4° | 180.0° |
| C6 | C5 | N7 | C8 | 177.5° | 180.0° |
| C6 | C5 | C4 | N9 | 177.9° | 180.0° |
| C6 | C5 | C4 | N3 | 0.2° | 0.0° |
| C6 | C5 | N7 | HN7 | 2.5° | 0.0° |
| N1 | C6 | C5 | N7 | 176.4° | 179.7° |
| N1 | C6 | C5 | C4 | 0.8° | 0.3° |
| C6 | N1 | C2 | N3 | 0.4° | 0.1° |
| C6 | N1 | C2 | N2 | 175.1° | 180.0° |
| N1 | C2 | N3 | C4 | 1.0° | 0.3° |
| N1 | C2 | N3 | N2 | 175.6° | 179.9° |
| N1 | C2 | N2 | HN2 | 20.4° | 0.1° |
| N1 | C2 | N2 | HN2A | 99.6° | 180.0° |
| C5 | N7 | C8 | HN7 | 180.0° | 180.0° |
| C5 | N7 | C8 | N9 | 0.1° | 0.0° |
| C5 | N7 | C8 | H8 | 179.9° | 180.0° |
| N7 | C5 | C4 | N9 | 0.1° | 0.0° |
| N7 | C5 | C4 | N3 | 177.6° | 180.0° |
| C4 | C5 | N7 | C8 | 0.1° | 0.0° |
| C5 | C4 | N9 | C8 | 0.0° | 0.0° |
| C5 | C4 | N9 | N3 | 177.2° | 179.9° |
| C5 | C4 | N3 | C2 | 0.7° | 0.3° |
| C4 | C5 | N7 | HN7 | 179.9° | 180.0° |
| N7 | C8 | N9 | H8 | 180.0° | 180.0° |
| N7 | C8 | N9 | C4 | 0.1° | 0.0° |
| C8 | N9 | C4 | N3 | 177.3° | 179.9° |
| N9 | C8 | N7 | HN7 | 179.9° | 180.0° |
| H8 | C8 | N9 | C4 | 179.9° | 180.0° |
| H8 | C8 | N7 | HN7 | 0.1° | 0.0° |
| N9 | C4 | N3 | C2 | 176.3° | 179.7° |
| C4 | N3 | C2 | N2 | 174.6° | 179.8° |
| N3 | C2 | N2 | HN2 | 155.2° | 180.0° |
| N3 | C2 | N2 | HN2A | 84.8° | 0.1° |
| C2 | N2 | HN2 | HN2A | 120.0° | 179.9° |
