2FQ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C4 | C3 | sing | 1.46Å | 1.44Å | |
| C4 | C5 | doub | 1.36Å | 1.36Å | |
| C2 | N | doub | 1.32Å | 1.33Å | Aromatic |
| C2 | C3 | sing | 1.40Å | 1.40Å | Aromatic |
| N3 | C5 | sing | 1.40Å | 1.35Å | |
| N | C1 | sing | 1.32Å | 1.35Å | Aromatic |
| C3 | C7 | doub | 1.41Å | 1.42Å | Aromatic |
| C5 | C6 | sing | 1.46Å | 1.50Å | |
| C1 | C | sing | 1.51Å | 1.49Å | |
| C1 | N2 | doub | 1.32Å | 1.34Å | Aromatic |
| C7 | N2 | sing | 1.33Å | 1.34Å | Aromatic |
| C7 | N1 | sing | 1.37Å | 1.38Å | |
| C6 | N1 | sing | 1.35Å | 1.38Å | |
| C6 | O | doub | 1.22Å | 1.22Å | |
| N1 | C8 | sing | 1.47Å | 1.46Å | |
| N3 | H1 | sing | 0.97Å | 1.00Å | |
| N3 | H2 | sing | 0.97Å | 1.00Å | |
| C4 | H3 | sing | 1.08Å | 1.08Å | |
| C8 | H4 | sing | 1.09Å | 1.10Å | |
| C8 | H5 | sing | 1.09Å | 1.10Å | |
| C8 | H6 | sing | 1.09Å | 1.10Å | |
| C2 | H7 | sing | 1.08Å | 1.08Å | |
| C | H8 | sing | 1.09Å | 1.10Å | |
| C | H9 | sing | 1.09Å | 1.10Å | |
| C | H10 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C3 | C4 | C5 | 119.0° | 118.4° |
| C4 | C3 | C2 | 123.6° | 121.6° |
| C4 | C3 | C7 | 121.2° | 119.8° |
| C3 | C4 | H3 | 120.5° | 120.7° |
| C4 | C5 | N3 | 122.9° | 120.3° |
| C4 | C5 | C6 | 120.3° | 119.4° |
| C5 | C4 | H3 | 120.5° | 120.8° |
| N | C2 | C3 | 124.5° | 118.4° |
| C2 | N | C1 | 115.9° | 121.3° |
| N | C2 | H7 | 117.7° | 120.8° |
| C2 | C3 | C7 | 115.1° | 118.6° |
| C3 | C2 | H7 | 117.7° | 120.8° |
| N3 | C5 | C6 | 116.8° | 120.3° |
| C5 | N3 | H1 | 109.5° | 120.0° |
| C5 | N3 | H2 | 109.5° | 120.0° |
| N | C1 | C | 117.4° | 118.7° |
| N | C1 | N2 | 124.9° | 122.6° |
| C3 | C7 | N2 | 120.5° | 118.6° |
| C3 | C7 | N1 | 118.7° | 120.1° |
| C5 | C6 | N1 | 117.9° | 121.0° |
| C5 | C6 | O | 121.4° | 119.5° |
| C | C1 | N2 | 117.7° | 118.7° |
| C1 | C | H8 | 109.5° | 109.5° |
| C1 | C | H9 | 109.4° | 109.5° |
| C1 | C | H10 | 109.4° | 109.4° |
| C1 | N2 | C7 | 119.0° | 120.5° |
| N2 | C7 | N1 | 120.8° | 121.3° |
| C7 | N1 | C6 | 122.9° | 121.2° |
| C7 | N1 | C8 | 119.9° | 119.4° |
| N1 | C6 | O | 120.8° | 119.5° |
| C6 | N1 | C8 | 117.2° | 119.4° |
| N1 | C8 | H4 | 109.5° | 109.5° |
| N1 | C8 | H5 | 109.4° | 109.5° |
| N1 | C8 | H6 | 109.5° | 109.4° |
| H1 | N3 | H2 | 109.4° | 120.0° |
| H4 | C8 | H5 | 109.5° | 109.5° |
| H4 | C8 | H6 | 109.5° | 109.5° |
| H5 | C8 | H6 | 109.5° | 109.5° |
| H8 | C | H9 | 109.5° | 109.5° |
| H8 | C | H10 | 109.5° | 109.5° |
| H9 | C | H10 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C3 | C4 | C5 | H3 | 180.0° | 180.0° |
| C4 | C3 | C2 | N | 179.9° | 180.0° |
| C4 | C3 | C2 | C7 | 179.8° | 179.8° |
| C3 | C4 | C5 | N3 | 179.6° | 180.0° |
| C3 | C4 | C5 | C6 | 0.1° | 0.0° |
| C4 | C3 | C7 | N2 | 179.9° | 180.0° |
| C4 | C3 | C7 | N1 | 0.1° | 0.5° |
| C4 | C3 | C2 | H7 | 0.1° | 0.1° |
| C5 | C4 | C3 | C2 | 179.6° | 180.0° |
| C4 | C5 | N3 | C6 | 179.7° | 179.9° |
| C5 | C4 | C3 | C7 | 0.1° | 0.2° |
| C4 | C5 | C6 | N1 | 0.3° | 0.0° |
| C4 | C5 | C6 | O | 179.4° | 179.7° |
| C4 | C5 | N3 | H1 | 180.0° | 180.0° |
| C4 | C5 | N3 | H2 | 60.0° | 0.1° |
| N | C2 | C3 | H7 | 180.0° | 179.9° |
| N | C2 | C3 | C7 | 0.2° | 0.2° |
| C2 | N | C1 | C | 178.8° | 180.0° |
| C2 | N | C1 | N2 | 0.6° | 0.3° |
| C3 | C2 | N | C1 | 0.2° | 0.0° |
| C2 | C3 | C7 | N2 | 0.3° | 0.2° |
| C2 | C3 | C7 | N1 | 179.6° | 179.7° |
| C2 | C3 | C4 | H3 | 0.4° | 0.0° |
| N3 | C5 | C6 | N1 | 179.4° | 179.9° |
| N3 | C5 | C6 | O | 0.9° | 0.3° |
| C5 | N3 | H1 | H2 | 120.0° | 179.9° |
| N3 | C5 | C4 | H3 | 0.4° | 0.0° |
| N | C1 | C | N2 | 179.4° | 179.7° |
| N | C1 | N2 | C7 | 0.4° | 0.3° |
| C1 | N | C2 | H7 | 179.7° | 179.9° |
| N | C1 | C | H8 | 0.0° | 89.9° |
| N | C1 | C | H9 | 120.0° | 150.0° |
| N | C1 | C | H10 | 120.0° | 30.1° |
| C3 | C7 | N2 | C1 | 0.0° | 0.1° |
| C3 | C7 | N2 | N1 | 179.9° | 179.5° |
| C3 | C7 | N1 | C6 | 0.1° | 0.6° |
| C3 | C7 | N1 | C8 | 179.6° | 179.5° |
| C7 | C3 | C4 | H3 | 179.9° | 179.8° |
| C7 | C3 | C2 | H7 | 179.9° | 179.7° |
| C5 | C6 | N1 | C7 | 0.3° | 0.3° |
| C5 | C6 | N1 | O | 179.7° | 179.6° |
| C5 | C6 | N1 | C8 | 179.4° | 179.8° |
| C6 | C5 | N3 | H1 | 0.3° | 0.1° |
| C6 | C5 | N3 | H2 | 120.3° | 180.0° |
| C6 | C5 | C4 | H3 | 179.9° | 180.0° |
| C | C1 | N2 | C7 | 178.9° | 179.9° |
| C1 | C | H8 | H9 | 120.0° | 120.1° |
| C1 | C | H8 | H10 | 120.0° | 120.0° |
| C1 | C | H9 | H10 | 120.0° | 119.9° |
| C1 | N2 | C7 | N1 | 179.9° | 179.4° |
| N2 | C1 | C | H8 | 179.4° | 90.3° |
| N2 | C1 | C | H9 | 60.6° | 29.8° |
| N2 | C1 | C | H10 | 59.4° | 149.7° |
| N2 | C7 | N1 | C6 | 179.8° | 180.0° |
| N2 | C7 | N1 | C8 | 0.5° | 0.1° |
| C7 | N1 | C6 | C8 | 179.7° | 179.9° |
| C7 | N1 | C6 | O | 179.4° | 180.0° |
| C7 | N1 | C8 | H4 | 180.0° | 180.0° |
| C7 | N1 | C8 | H5 | 60.0° | 59.9° |
| C7 | N1 | C8 | H6 | 60.0° | 60.1° |
| C6 | N1 | C8 | H4 | 0.3° | 0.1° |
| C6 | N1 | C8 | H5 | 119.7° | 120.0° |
| C6 | N1 | C8 | H6 | 120.3° | 120.0° |
| O | C6 | N1 | C8 | 0.9° | 0.1° |
| N1 | C8 | H4 | H5 | 120.0° | 120.0° |
| N1 | C8 | H4 | H6 | 120.0° | 119.9° |
| N1 | C8 | H5 | H6 | 120.0° | 120.0° |
| H4 | C8 | H5 | H6 | 120.0° | 120.0° |
| H8 | C | H9 | H10 | 120.1° | 120.0° |






