9QC
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O6 | C6 | doub | 1.22Å | 0.00Å | |
| N2 | C2 | sing | 1.37Å | 0.00Å | |
| N1 | C2 | sing | 1.36Å | 0.00Å | |
| N1 | C6 | sing | 1.35Å | 0.00Å | |
| C2 | N3 | doub | 1.31Å | 0.00Å | |
| C6 | C5 | sing | 1.42Å | 0.00Å | |
| C5 | C4 | doub | 1.40Å | 0.00Å | Aromatic |
| C5 | N7 | sing | 1.34Å | 0.00Å | Aromatic |
| N3 | C4 | sing | 1.34Å | 0.00Å | |
| C4 | N9 | sing | 1.36Å | 0.00Å | Aromatic |
| N7 | N8 | doub | 1.29Å | 0.00Å | Aromatic |
| N8 | N9 | sing | 1.40Å | 0.00Å | Aromatic |
| N2 | H1 | sing | 0.97Å | 0.00Å | |
| N2 | H2 | sing | 0.97Å | 0.00Å | |
| N1 | H3 | sing | 0.97Å | 0.00Å | |
| N9 | H5 | sing | 0.97Å | 0.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O6 | C6 | N1 | 90.0° | 120.8° |
| O6 | C6 | C5 | 90.0° | 120.8° |
| N2 | C2 | N1 | 90.0° | 119.0° |
| N2 | C2 | N3 | 90.0° | 119.0° |
| C2 | N2 | H1 | 90.0° | 120.1° |
| C2 | N2 | H2 | 90.0° | 120.0° |
| C2 | N1 | C6 | 90.0° | 120.3° |
| N1 | C2 | N3 | 90.0° | 122.0° |
| C2 | N1 | H3 | 90.0° | 119.8° |
| N1 | C6 | C5 | 90.0° | 118.4° |
| C6 | N1 | H3 | 90.0° | 119.8° |
| C2 | N3 | C4 | 90.0° | 121.2° |
| C6 | C5 | C4 | 90.0° | 118.4° |
| C6 | C5 | N7 | 90.0° | 133.7° |
| C4 | C5 | N7 | 90.0° | 107.9° |
| C5 | C4 | N3 | 90.0° | 119.7° |
| C5 | C4 | N9 | 90.0° | 106.1° |
| C5 | N7 | N8 | 90.0° | 110.0° |
| N3 | C4 | N9 | 90.0° | 134.1° |
| C4 | N9 | N8 | 90.0° | 106.7° |
| C4 | N9 | H5 | 90.0° | 126.7° |
| N7 | N8 | N9 | 90.0° | 109.2° |
| N8 | N9 | H5 | 90.0° | 126.7° |
| H1 | N2 | H2 | 90.0° | 119.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O6 | C6 | N1 | C2 | 90.0° | 180.0° |
| O6 | C6 | N1 | C5 | 90.0° | 179.7° |
| O6 | C6 | C5 | C4 | 90.0° | 179.7° |
| O6 | C6 | C5 | N7 | 90.0° | 0.3° |
| O6 | C6 | N1 | H3 | 90.0° | 0.0° |
| N2 | C2 | N1 | N3 | 90.0° | 179.9° |
| N2 | C2 | N1 | C6 | 90.0° | 180.0° |
| N2 | C2 | N3 | C4 | 90.0° | 179.9° |
| C2 | N2 | H1 | H2 | 90.0° | 180.0° |
| N2 | C2 | N1 | H3 | 90.0° | 0.1° |
| C2 | N1 | C6 | H3 | 90.0° | 179.9° |
| C2 | N1 | C6 | C5 | 90.0° | 0.2° |
| N1 | C2 | N3 | C4 | 90.0° | 0.0° |
| N1 | C2 | N2 | H1 | 90.0° | 179.9° |
| N1 | C2 | N2 | H2 | 90.0° | 0.0° |
| C6 | N1 | C2 | N3 | 90.0° | 0.1° |
| N1 | C6 | C5 | C4 | 90.0° | 0.5° |
| N1 | C6 | C5 | N7 | 90.0° | 180.0° |
| C2 | N3 | C4 | C5 | 90.0° | 0.3° |
| C2 | N3 | C4 | N9 | 90.0° | 180.0° |
| N3 | C2 | N2 | H1 | 90.0° | 0.0° |
| N3 | C2 | N2 | H2 | 90.0° | 180.0° |
| N3 | C2 | N1 | H3 | 90.0° | 180.0° |
| C6 | C5 | C4 | N7 | 90.0° | 179.6° |
| C6 | C5 | C4 | N3 | 90.0° | 0.6° |
| C6 | C5 | C4 | N9 | 90.0° | 179.7° |
| C6 | C5 | N7 | N8 | 90.0° | 180.0° |
| C5 | C6 | N1 | H3 | 90.0° | 179.7° |
| C5 | C4 | N3 | N9 | 90.0° | 179.6° |
| C4 | C5 | N7 | N8 | 90.0° | 0.5° |
| C5 | C4 | N9 | N8 | 90.0° | 0.3° |
| C5 | C4 | N9 | H5 | 90.0° | 179.8° |
| N7 | C5 | C4 | N3 | 90.0° | 179.8° |
| N7 | C5 | C4 | N9 | 90.0° | 0.1° |
| C5 | N7 | N8 | N9 | 90.0° | 0.7° |
| N3 | C4 | N9 | N8 | 90.0° | 179.3° |
| N3 | C4 | N9 | H5 | 90.0° | 0.1° |
| C4 | N9 | N8 | N7 | 90.0° | 0.7° |
| C4 | N9 | N8 | H5 | 90.0° | 179.4° |
| N7 | N8 | N9 | H5 | 90.0° | 179.9° |
