Obsolete: QND
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C2 | doub | 1.32Å | 1.35Å | Aromatic |
| N1 | C10 | sing | 1.33Å | 1.34Å | Aromatic |
| C2 | C3 | sing | 1.40Å | 1.39Å | Aromatic |
| C2 | C | sing | 1.48Å | 1.44Å | |
| C3 | C4 | doub | 1.36Å | 1.40Å | Aromatic |
| C3 | H3 | sing | 1.08Å | 1.10Å | |
| C4 | C9 | sing | 1.41Å | 1.39Å | Aromatic |
| C4 | H4 | sing | 1.08Å | 1.10Å | |
| C5 | C6 | doub | 1.36Å | 1.38Å | Aromatic |
| C5 | C9 | sing | 1.40Å | 1.41Å | Aromatic |
| C5 | H5 | sing | 1.08Å | 1.10Å | |
| C6 | C7 | sing | 1.39Å | 1.37Å | Aromatic |
| C6 | H6 | sing | 1.08Å | 1.10Å | |
| C7 | C8 | doub | 1.36Å | 1.40Å | Aromatic |
| C7 | H7 | sing | 1.08Å | 1.10Å | |
| C8 | C10 | sing | 1.41Å | 1.38Å | Aromatic |
| C8 | H8 | sing | 1.08Å | 1.10Å | |
| C9 | C10 | doub | 1.42Å | 1.36Å | Aromatic |
| C | O1 | doub | 1.21Å | 1.26Å | |
| C | O2 | sing | 1.35Å | 1.36Å | |
| O2 | HO2 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | N1 | C10 | 126.6° | 121.4° |
| N1 | C2 | C3 | 115.2° | 121.4° |
| N1 | C2 | C | 122.2° | 119.4° |
| N1 | C10 | C8 | 121.3° | 121.0° |
| N1 | C10 | C9 | 118.8° | 120.0° |
| C3 | C2 | C | 122.4° | 119.2° |
| C2 | C3 | C4 | 120.4° | 119.9° |
| C2 | C3 | H3 | 119.5° | 120.1° |
| C2 | C | O1 | 124.7° | 120.1° |
| C2 | C | O2 | 114.1° | 120.0° |
| C4 | C3 | H3 | 120.1° | 120.1° |
| C3 | C4 | C9 | 120.2° | 118.2° |
| C3 | C4 | H4 | 120.0° | 120.9° |
| C9 | C4 | H4 | 119.8° | 120.8° |
| C4 | C9 | C5 | 121.5° | 121.3° |
| C4 | C9 | C10 | 118.7° | 119.1° |
| C6 | C5 | C9 | 121.1° | 119.7° |
| C6 | C5 | H5 | 118.3° | 120.2° |
| C5 | C6 | C7 | 118.5° | 120.9° |
| C5 | C6 | H6 | 121.1° | 119.6° |
| C9 | C5 | H5 | 120.6° | 120.2° |
| C5 | C9 | C10 | 119.8° | 119.6° |
| C7 | C6 | H6 | 120.4° | 119.6° |
| C6 | C7 | C8 | 120.9° | 121.1° |
| C6 | C7 | H7 | 118.4° | 119.5° |
| C8 | C7 | H7 | 120.7° | 119.4° |
| C7 | C8 | C10 | 119.8° | 119.7° |
| C7 | C8 | H8 | 120.7° | 120.1° |
| C10 | C8 | H8 | 119.5° | 120.2° |
| C8 | C10 | C9 | 119.9° | 119.0° |
| O1 | C | O2 | 121.2° | 119.9° |
| C | O2 | HO2 | 114.2° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N1 | C2 | C3 | C | 174.4° | 179.8° |
| N1 | C2 | C3 | C4 | 2.5° | 0.2° |
| N1 | C2 | C3 | H3 | 177.5° | 179.8° |
| C2 | N1 | C10 | C8 | 179.9° | 179.8° |
| C2 | N1 | C10 | C9 | 0.3° | 0.5° |
| N1 | C2 | C | O1 | 174.3° | 179.8° |
| N1 | C2 | C | O2 | 7.7° | 0.2° |
| C10 | N1 | C2 | C3 | 1.3° | 0.5° |
| C10 | N1 | C2 | C | 175.8° | 179.7° |
| N1 | C10 | C9 | C4 | 0.3° | 0.3° |
| N1 | C10 | C9 | C5 | 179.0° | 179.8° |
| N1 | C10 | C8 | C7 | 177.0° | 179.7° |
| N1 | C10 | C8 | C9 | 179.8° | 179.7° |
| N1 | C10 | C8 | H8 | 3.0° | 0.4° |
| C2 | C3 | C4 | H3 | 180.0° | 180.0° |
| C2 | C3 | C4 | C9 | 2.7° | 0.0° |
| C2 | C3 | C4 | H4 | 177.3° | 180.0° |
| C3 | C2 | C | O1 | 11.7° | 0.0° |
| C3 | C2 | C | O2 | 166.3° | 180.0° |
| C | C2 | C3 | C4 | 176.9° | 180.0° |
| C | C2 | C3 | H3 | 3.1° | 0.0° |
| C2 | C | O1 | O2 | 177.9° | 180.0° |
| C2 | C | O2 | HO2 | 180.0° | 180.0° |
| C3 | C4 | C9 | H4 | 180.0° | 180.0° |
| C3 | C4 | C9 | C5 | 179.8° | 180.0° |
| C3 | C4 | C9 | C10 | 1.6° | 0.0° |
| H3 | C3 | C4 | C9 | 177.3° | 180.0° |
| H3 | C3 | C4 | H4 | 2.7° | 0.0° |
| C4 | C9 | C5 | C6 | 178.3° | 180.0° |
| C4 | C9 | C5 | C10 | 178.6° | 180.0° |
| C4 | C9 | C5 | H5 | 1.7° | 0.0° |
| C4 | C9 | C10 | C8 | 179.9° | 180.0° |
| H4 | C4 | C9 | C5 | 0.2° | 0.0° |
| H4 | C4 | C9 | C10 | 178.5° | 180.0° |
| C6 | C5 | C9 | H5 | 180.0° | 180.0° |
| C5 | C6 | C7 | H6 | 180.0° | 180.0° |
| C5 | C6 | C7 | C8 | 2.2° | 0.0° |
| C5 | C6 | C7 | H7 | 177.8° | 180.0° |
| C6 | C5 | C9 | C10 | 0.3° | 0.0° |
| C9 | C5 | C6 | C7 | 0.2° | 0.0° |
| C9 | C5 | C6 | H6 | 179.8° | 180.0° |
| C5 | C9 | C10 | C8 | 1.2° | 0.1° |
| H5 | C5 | C6 | C7 | 179.8° | 180.0° |
| H5 | C5 | C6 | H6 | 0.2° | 0.0° |
| H5 | C5 | C9 | C10 | 179.7° | 180.0° |
| C6 | C7 | C8 | H7 | 180.0° | 180.0° |
| C6 | C7 | C8 | C10 | 3.7° | 0.0° |
| C6 | C7 | C8 | H8 | 176.3° | 179.9° |
| H6 | C6 | C7 | C8 | 177.8° | 180.0° |
| H6 | C6 | C7 | H7 | 2.2° | 0.0° |
| C7 | C8 | C10 | H8 | 180.0° | 179.9° |
| C7 | C8 | C10 | C9 | 3.2° | 0.1° |
| H7 | C7 | C8 | C10 | 176.3° | 180.0° |
| H7 | C7 | C8 | H8 | 3.7° | 0.1° |
| H8 | C8 | C10 | C9 | 176.8° | 180.0° |
| O1 | C | O2 | HO2 | 1.9° | 0.0° |
