Q24
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C2 | doub | 1.32Å | 1.41Å | Aromatic |
| N1 | C8A | sing | 1.34Å | 1.47Å | Aromatic |
| C2 | N3 | sing | 1.33Å | 1.42Å | Aromatic |
| C2 | NA2 | sing | 1.38Å | 1.26Å | |
| N3 | C4 | doub | 1.33Å | 1.37Å | Aromatic |
| C4 | C4A | sing | 1.42Å | 1.48Å | Aromatic |
| C4 | NA4 | sing | 1.38Å | 1.29Å | |
| C5 | C6 | doub | 1.36Å | 1.56Å | Aromatic |
| C5 | C4A | sing | 1.40Å | 1.50Å | Aromatic |
| C6 | C7 | sing | 1.39Å | 1.61Å | Aromatic |
| C7 | C8 | doub | 1.36Å | 1.61Å | Aromatic |
| C8 | C8A | sing | 1.40Å | 1.59Å | Aromatic |
| C4A | C8A | doub | 1.42Å | 1.53Å | Aromatic |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| NA2 | HNA2 | sing | 0.97Å | 1.00Å | |
| NA2 | HNAA | sing | 0.97Å | 1.00Å | |
| NA4 | HNA4 | sing | 0.97Å | 1.00Å | |
| NA4 | HNAB | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | N1 | C8A | 120.1° | 120.5° |
| N1 | C2 | N3 | 120.1° | 122.8° |
| N1 | C2 | NA2 | 119.1° | 118.6° |
| N1 | C8A | C8 | 117.0° | 121.9° |
| N1 | C8A | C4A | 120.8° | 118.7° |
| N3 | C2 | NA2 | 120.8° | 118.6° |
| C2 | N3 | C4 | 121.6° | 121.4° |
| C2 | NA2 | HNA2 | 109.5° | 120.0° |
| C2 | NA2 | HNAA | 109.5° | 120.0° |
| N3 | C4 | C4A | 125.2° | 118.3° |
| N3 | C4 | NA4 | 113.2° | 120.8° |
| C4A | C4 | NA4 | 121.6° | 120.9° |
| C4 | C4A | C5 | 120.4° | 122.0° |
| C4 | C4A | C8A | 112.2° | 118.4° |
| C4 | NA4 | HNA4 | 109.5° | 120.0° |
| C4 | NA4 | HNAB | 109.4° | 120.0° |
| C6 | C5 | C4A | 108.9° | 119.6° |
| C5 | C6 | C7 | 129.3° | 120.9° |
| C6 | C5 | H5 | 125.5° | 120.2° |
| C5 | C6 | H6 | 115.4° | 119.6° |
| C5 | C4A | C8A | 127.4° | 119.6° |
| C4A | C5 | H5 | 125.5° | 120.2° |
| C6 | C7 | C8 | 115.3° | 121.0° |
| C7 | C6 | H6 | 115.3° | 119.6° |
| C6 | C7 | H7 | 122.3° | 119.5° |
| C7 | C8 | C8A | 113.8° | 119.6° |
| C8 | C7 | H7 | 122.3° | 119.5° |
| C7 | C8 | H8 | 123.1° | 120.2° |
| C8 | C8A | C4A | 122.1° | 119.3° |
| C8A | C8 | H8 | 123.1° | 120.2° |
| HNA2 | NA2 | HNAA | 109.5° | 120.0° |
| HNA4 | NA4 | HNAB | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N1 | C2 | N3 | NA2 | 177.7° | 180.0° |
| N1 | C2 | N3 | C4 | 2.5° | 0.0° |
| C2 | N1 | C8A | C8 | 178.0° | 180.0° |
| C2 | N1 | C8A | C4A | 0.0° | 0.0° |
| N1 | C2 | NA2 | HNA2 | 0.0° | 0.0° |
| N1 | C2 | NA2 | HNAA | 120.0° | 180.0° |
| C8A | N1 | C2 | N3 | 0.9° | 0.0° |
| C8A | N1 | C2 | NA2 | 178.6° | 180.0° |
| N1 | C8A | C4A | C4 | 0.7° | 0.0° |
| N1 | C8A | C4A | C5 | 178.9° | 180.0° |
| N1 | C8A | C8 | C7 | 163.7° | 180.0° |
| N1 | C8A | C8 | C4A | 178.0° | 180.0° |
| N1 | C8A | C8 | H8 | 16.3° | 0.0° |
| C2 | N3 | C4 | C4A | 3.5° | 0.0° |
| C2 | N3 | C4 | NA4 | 177.7° | 180.0° |
| N3 | C2 | NA2 | HNA2 | 177.7° | 180.0° |
| N3 | C2 | NA2 | HNAA | 62.3° | 0.0° |
| NA2 | C2 | N3 | C4 | 179.8° | 180.0° |
| C2 | NA2 | HNA2 | HNAA | 120.0° | 180.0° |
| N3 | C4 | C4A | NA4 | 178.7° | 180.0° |
| N3 | C4 | C4A | C5 | 177.2° | 180.0° |
| N3 | C4 | C4A | C8A | 2.4° | 0.0° |
| N3 | C4 | NA4 | HNA4 | 0.0° | 0.0° |
| N3 | C4 | NA4 | HNAB | 120.0° | 180.0° |
| C4 | C4A | C5 | C6 | 166.0° | 180.0° |
| C4 | C4A | C5 | C8A | 179.5° | 180.0° |
| C4 | C4A | C8A | C8 | 178.6° | 180.0° |
| C4 | C4A | C5 | H5 | 14.0° | 0.1° |
| C4A | C4 | NA4 | HNA4 | 178.9° | 180.0° |
| C4A | C4 | NA4 | HNAB | 61.1° | 0.0° |
| NA4 | C4 | C4A | C5 | 1.5° | 0.0° |
| NA4 | C4 | C4A | C8A | 178.9° | 180.0° |
| C4 | NA4 | HNA4 | HNAB | 120.0° | 180.0° |
| C6 | C5 | C4A | H5 | 180.0° | 179.9° |
| C5 | C6 | C7 | H6 | 180.0° | 179.9° |
| C5 | C6 | C7 | C8 | 1.8° | 0.0° |
| C6 | C5 | C4A | C8A | 13.5° | 0.0° |
| C5 | C6 | C7 | H7 | 178.2° | 179.9° |
| C4A | C5 | C6 | C7 | 12.2° | 0.0° |
| C5 | C4A | C8A | C8 | 1.0° | 0.0° |
| C4A | C5 | C6 | H6 | 167.9° | 179.9° |
| C6 | C7 | C8 | H7 | 180.0° | 179.9° |
| C6 | C7 | C8 | C8A | 14.6° | 0.1° |
| C7 | C6 | C5 | H5 | 167.8° | 179.9° |
| C6 | C7 | C8 | H8 | 165.4° | 180.0° |
| C7 | C8 | C8A | H8 | 180.0° | 179.9° |
| C7 | C8 | C8A | C4A | 14.3° | 0.1° |
| C8 | C7 | C6 | H6 | 178.2° | 180.0° |
| C8A | C8 | C7 | H7 | 165.4° | 180.0° |
| C8A | C4A | C5 | H5 | 166.5° | 179.9° |
| C4A | C8A | C8 | H8 | 165.7° | 180.0° |
| H5 | C5 | C6 | H6 | 12.2° | 0.0° |
| H6 | C6 | C7 | H7 | 1.8° | 0.1° |
| H7 | C7 | C8 | H8 | 14.6° | 0.1° |
