A1EFQ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C5 | C4 | doub | 1.35Å | 1.36Å | Aromatic |
| C5 | N1 | sing | 1.36Å | 1.34Å | Aromatic |
| C4 | C3 | sing | 1.42Å | 1.40Å | Aromatic |
| N1 | N2 | sing | 1.28Å | 1.35Å | Aromatic |
| C3 | N2 | doub | 1.32Å | 1.34Å | Aromatic |
| C3 | C2 | sing | 1.47Å | 1.48Å | |
| O1 | C2 | doub | 1.21Å | 1.23Å | |
| C2 | C1 | sing | 1.51Å | 1.50Å | |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| C4 | H2 | sing | 1.08Å | 1.08Å | |
| C5 | H3 | sing | 1.08Å | 1.08Å | |
| C1 | H4 | sing | 1.09Å | 1.10Å | |
| C1 | H5 | sing | 1.09Å | 1.10Å | |
| C1 | H6 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C4 | C5 | N1 | 107.1° | 107.2° |
| C5 | C4 | C3 | 106.2° | 105.6° |
| C5 | C4 | H2 | 126.9° | 127.2° |
| C4 | C5 | H3 | 126.4° | 126.4° |
| C5 | N1 | N2 | 111.6° | 110.2° |
| C5 | N1 | H1 | 124.2° | 124.9° |
| N1 | C5 | H3 | 126.4° | 126.4° |
| C4 | C3 | N2 | 109.6° | 107.0° |
| C4 | C3 | C2 | 130.2° | 126.5° |
| C3 | C4 | H2 | 126.9° | 127.3° |
| N1 | N2 | C3 | 105.5° | 110.0° |
| N2 | N1 | H1 | 124.2° | 124.9° |
| N2 | C3 | C2 | 120.2° | 126.5° |
| C3 | C2 | O1 | 120.4° | 120.0° |
| C3 | C2 | C1 | 118.1° | 120.0° |
| O1 | C2 | C1 | 121.5° | 120.0° |
| C2 | C1 | H4 | 109.5° | 109.5° |
| C2 | C1 | H5 | 109.4° | 109.5° |
| C2 | C1 | H6 | 109.5° | 109.4° |
| H4 | C1 | H5 | 109.5° | 109.5° |
| H4 | C1 | H6 | 109.5° | 109.5° |
| H5 | C1 | H6 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C4 | C5 | N1 | H3 | 180.0° | 180.0° |
| C5 | C4 | C3 | H2 | 180.0° | 179.6° |
| C4 | C5 | N1 | N2 | 0.4° | 0.0° |
| C5 | C4 | C3 | N2 | 1.2° | 0.4° |
| C5 | C4 | C3 | C2 | 179.5° | 179.7° |
| C4 | C5 | N1 | H1 | 179.6° | 179.8° |
| N1 | C5 | C4 | C3 | 0.9° | 0.2° |
| C5 | N1 | N2 | H1 | 180.0° | 179.8° |
| C5 | N1 | N2 | C3 | 0.3° | 0.2° |
| N1 | C5 | C4 | H2 | 179.1° | 179.9° |
| C4 | C3 | N2 | N1 | 0.9° | 0.4° |
| C4 | C3 | N2 | C2 | 178.6° | 180.0° |
| C4 | C3 | C2 | O1 | 4.0° | 0.0° |
| C4 | C3 | C2 | C1 | 177.7° | 179.9° |
| C3 | C4 | C5 | H3 | 179.1° | 179.7° |
| N1 | N2 | C3 | C2 | 179.5° | 179.7° |
| N2 | N1 | C5 | H3 | 179.6° | 180.0° |
| N2 | C3 | C2 | O1 | 174.2° | 180.0° |
| N2 | C3 | C2 | C1 | 4.1° | 0.1° |
| C3 | N2 | N1 | H1 | 179.7° | 180.0° |
| N2 | C3 | C4 | H2 | 178.9° | 180.0° |
| C3 | C2 | O1 | C1 | 178.2° | 179.9° |
| C2 | C3 | C4 | H2 | 0.5° | 0.0° |
| C3 | C2 | C1 | H4 | 178.3° | 0.0° |
| C3 | C2 | C1 | H5 | 61.7° | 120.0° |
| C3 | C2 | C1 | H6 | 58.3° | 120.0° |
| O1 | C2 | C1 | H4 | 0.0° | 180.0° |
| O1 | C2 | C1 | H5 | 120.0° | 59.9° |
| O1 | C2 | C1 | H6 | 120.0° | 60.0° |
| C2 | C1 | H4 | H5 | 120.0° | 120.0° |
| C2 | C1 | H4 | H6 | 120.0° | 120.0° |
| C2 | C1 | H5 | H6 | 120.0° | 119.9° |
| H1 | N1 | C5 | H3 | 0.4° | 0.3° |
| H2 | C4 | C5 | H3 | 0.9° | 0.1° |
| H4 | C1 | H5 | H6 | 120.0° | 120.0° |
