QUI
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C2 | doub | 1.32Å | 1.34Å | Aromatic |
| N1 | C9 | sing | 1.33Å | 1.34Å | Aromatic |
| C2 | C3 | sing | 1.40Å | 1.40Å | Aromatic |
| C2 | C | sing | 1.48Å | 1.48Å | |
| C3 | N4 | doub | 1.31Å | 1.34Å | Aromatic |
| C3 | H3 | sing | 1.08Å | 1.07Å | |
| N4 | C10 | sing | 1.34Å | 1.35Å | Aromatic |
| C5 | C6 | doub | 1.36Å | 1.39Å | Aromatic |
| C5 | C10 | sing | 1.40Å | 1.39Å | Aromatic |
| C5 | H5 | sing | 1.08Å | 1.07Å | |
| C6 | C7 | sing | 1.39Å | 1.41Å | Aromatic |
| C6 | H6 | sing | 1.08Å | 1.07Å | |
| C7 | C8 | doub | 1.36Å | 1.40Å | Aromatic |
| C7 | H7 | sing | 1.08Å | 1.07Å | |
| C8 | C9 | sing | 1.41Å | 1.40Å | Aromatic |
| C8 | H8 | sing | 1.08Å | 1.07Å | |
| C9 | C10 | doub | 1.46Å | 1.39Å | Aromatic |
| C | O1 | doub | 1.21Å | 1.24Å | |
| C | O2 | sing | 1.35Å | 1.33Å | |
| O2 | HO2 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | N1 | C9 | 118.8° | 119.5° |
| N1 | C2 | C3 | 120.4° | 121.1° |
| N1 | C2 | C | 116.9° | 119.5° |
| N1 | C9 | C8 | 119.3° | 121.9° |
| N1 | C9 | C10 | 120.8° | 119.3° |
| C3 | C2 | C | 122.7° | 119.3° |
| C2 | C3 | N4 | 121.0° | 121.3° |
| C2 | C3 | H3 | 120.1° | 119.4° |
| C2 | C | O1 | 121.0° | 120.1° |
| C2 | C | O2 | 114.8° | 120.0° |
| N4 | C3 | H3 | 118.9° | 119.3° |
| C3 | N4 | C10 | 118.0° | 119.6° |
| N4 | C10 | C5 | 118.1° | 121.9° |
| N4 | C10 | C9 | 121.0° | 119.3° |
| C6 | C5 | C10 | 119.2° | 119.5° |
| C6 | C5 | H5 | 120.2° | 120.2° |
| C5 | C6 | C7 | 121.0° | 121.7° |
| C5 | C6 | H6 | 119.2° | 119.1° |
| C10 | C5 | H5 | 120.6° | 120.2° |
| C5 | C10 | C9 | 120.8° | 118.8° |
| C7 | C6 | H6 | 119.9° | 119.2° |
| C6 | C7 | C8 | 119.0° | 121.7° |
| C6 | C7 | H7 | 120.6° | 119.2° |
| C8 | C7 | H7 | 120.4° | 119.2° |
| C7 | C8 | C9 | 120.1° | 119.4° |
| C7 | C8 | H8 | 119.1° | 120.3° |
| C9 | C8 | H8 | 119.2° | 120.3° |
| C8 | C9 | C10 | 119.9° | 118.9° |
| O1 | C | O2 | 124.2° | 120.0° |
| C | O2 | HO2 | 114.8° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N1 | C2 | C3 | C | 179.7° | 179.8° |
| N1 | C2 | C3 | N4 | 0.1° | 0.2° |
| N1 | C2 | C3 | H3 | 179.9° | 179.8° |
| C2 | N1 | C9 | C8 | 179.7° | 179.8° |
| C2 | N1 | C9 | C10 | 0.1° | 0.5° |
| N1 | C2 | C | O1 | 163.3° | 179.8° |
| N1 | C2 | C | O2 | 16.5° | 0.2° |
| C9 | N1 | C2 | C3 | 0.2° | 0.4° |
| C9 | N1 | C2 | C | 179.5° | 179.8° |
| N1 | C9 | C10 | N4 | 0.0° | 0.3° |
| N1 | C9 | C10 | C5 | 179.8° | 179.8° |
| N1 | C9 | C8 | C7 | 179.8° | 179.7° |
| N1 | C9 | C8 | C10 | 179.8° | 179.7° |
| N1 | C9 | C8 | H8 | 14.4° | 0.3° |
| C2 | C3 | N4 | H3 | 179.9° | 180.0° |
| C2 | C3 | N4 | C10 | 0.0° | 0.0° |
| C3 | C2 | C | O1 | 16.4° | 0.0° |
| C3 | C2 | C | O2 | 163.9° | 180.0° |
| C | C2 | C3 | N4 | 179.6° | 180.0° |
| C | C2 | C3 | H3 | 0.5° | 0.0° |
| C2 | C | O1 | O2 | 179.7° | 180.0° |
| C2 | C | O2 | HO2 | 180.0° | 180.0° |
| C3 | N4 | C10 | C5 | 179.7° | 180.0° |
| C3 | N4 | C10 | C9 | 0.1° | 0.0° |
| H3 | C3 | N4 | C10 | 180.0° | 180.0° |
| N4 | C10 | C5 | C6 | 179.8° | 180.0° |
| N4 | C10 | C5 | C9 | 179.8° | 180.0° |
| N4 | C10 | C5 | H5 | 0.3° | 0.0° |
| N4 | C10 | C9 | C8 | 179.8° | 180.0° |
| C6 | C5 | C10 | H5 | 179.9° | 180.0° |
| C5 | C6 | C7 | H6 | 179.9° | 179.9° |
| C5 | C6 | C7 | C8 | 0.1° | 0.0° |
| C5 | C6 | C7 | H7 | 179.5° | 180.0° |
| C6 | C5 | C10 | C9 | 0.0° | 0.0° |
| C10 | C5 | C6 | C7 | 0.0° | 0.0° |
| C10 | C5 | C6 | H6 | 179.9° | 179.9° |
| C5 | C10 | C9 | C8 | 0.0° | 0.0° |
| H5 | C5 | C6 | C7 | 179.9° | 180.0° |
| H5 | C5 | C6 | H6 | 0.0° | 0.1° |
| H5 | C5 | C10 | C9 | 179.9° | 180.0° |
| C6 | C7 | C8 | H7 | 179.5° | 180.0° |
| C6 | C7 | C8 | C9 | 0.1° | 0.0° |
| C6 | C7 | C8 | H8 | 165.7° | 180.0° |
| H6 | C6 | C7 | C8 | 179.9° | 180.0° |
| H6 | C6 | C7 | H7 | 0.4° | 0.1° |
| C7 | C8 | C9 | H8 | 165.8° | 180.0° |
| C7 | C8 | C9 | C10 | 0.0° | 0.0° |
| H7 | C7 | C8 | C9 | 179.5° | 180.0° |
| H7 | C7 | C8 | H8 | 13.7° | 0.0° |
| H8 | C8 | C9 | C10 | 165.8° | 180.0° |
| O1 | C | O2 | HO2 | 0.2° | 0.0° |
