5JQ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O2 | C5 | doub | 1.22Å | 1.35Å | |
| N2 | C1 | sing | 1.40Å | 1.34Å | |
| N2 | C3 | sing | 1.35Å | 1.33Å | |
| C5 | C1 | sing | 1.41Å | 1.34Å | |
| C5 | N4 | sing | 1.35Å | 1.34Å | |
| O1 | C3 | doub | 1.22Å | 1.23Å | |
| C1 | C2 | doub | 1.37Å | 1.34Å | |
| C3 | N1 | sing | 1.35Å | 1.32Å | |
| N4 | C4 | sing | 1.35Å | 1.34Å | |
| C2 | N1 | sing | 1.37Å | 1.33Å | |
| C2 | N3 | sing | 1.38Å | 1.39Å | |
| C4 | N3 | sing | 1.35Å | 1.39Å | |
| C4 | S1 | doub | 1.71Å | 1.73Å | |
| N4 | H1 | sing | 0.97Å | 1.00Å | |
| N3 | H2 | sing | 0.97Å | 1.00Å | |
| N2 | H3 | sing | 0.97Å | 1.00Å | |
| N1 | H4 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O2 | C5 | C1 | 116.8° | 120.4° |
| O2 | C5 | N4 | 120.6° | 120.3° |
| C1 | N2 | C3 | 106.6° | 107.7° |
| N2 | C1 | C5 | 132.7° | 133.6° |
| N2 | C1 | C2 | 107.8° | 107.1° |
| C1 | N2 | H3 | 126.7° | 126.1° |
| N2 | C3 | O1 | 125.9° | 125.6° |
| N2 | C3 | N1 | 110.1° | 108.9° |
| C3 | N2 | H3 | 126.7° | 126.2° |
| C1 | C5 | N4 | 122.5° | 119.3° |
| C5 | C1 | C2 | 119.5° | 119.3° |
| C5 | N4 | C4 | 120.1° | 120.6° |
| C5 | N4 | H1 | 119.9° | 119.7° |
| O1 | C3 | N1 | 124.0° | 125.5° |
| C1 | C2 | N1 | 109.0° | 107.5° |
| C1 | C2 | N3 | 120.0° | 119.3° |
| C3 | N1 | C2 | 106.4° | 108.8° |
| C3 | N1 | H4 | 126.8° | 125.6° |
| N4 | C4 | N3 | 119.1° | 121.2° |
| N4 | C4 | S1 | 121.2° | 119.4° |
| C4 | N4 | H1 | 120.0° | 119.7° |
| N1 | C2 | N3 | 131.1° | 133.2° |
| C2 | N1 | H4 | 126.8° | 125.6° |
| C2 | N3 | C4 | 118.8° | 120.3° |
| C2 | N3 | H2 | 120.6° | 119.9° |
| N3 | C4 | S1 | 119.7° | 119.4° |
| C4 | N3 | H2 | 120.6° | 119.8° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O2 | C5 | C1 | N2 | 0.1° | 0.0° |
| O2 | C5 | C1 | N4 | 179.8° | 180.0° |
| O2 | C5 | C1 | C2 | 179.9° | 179.9° |
| O2 | C5 | N4 | C4 | 179.9° | 179.6° |
| O2 | C5 | N4 | H1 | 0.1° | 0.1° |
| C1 | N2 | C3 | H3 | 180.0° | 179.9° |
| N2 | C1 | C5 | C2 | 180.0° | 179.9° |
| N2 | C1 | C5 | N4 | 179.9° | 180.0° |
| C1 | N2 | C3 | O1 | 179.9° | 179.9° |
| C1 | N2 | C3 | N1 | 0.1° | 0.0° |
| N2 | C1 | C2 | N1 | 0.0° | 0.0° |
| N2 | C1 | C2 | N3 | 180.0° | 179.7° |
| C3 | N2 | C1 | C5 | 179.9° | 180.0° |
| N2 | C3 | O1 | N1 | 180.0° | 180.0° |
| C3 | N2 | C1 | C2 | 0.1° | 0.0° |
| N2 | C3 | N1 | C2 | 0.1° | 0.0° |
| N2 | C3 | N1 | H4 | 179.9° | 179.8° |
| C1 | C5 | N4 | C4 | 0.1° | 0.4° |
| C5 | C1 | C2 | N1 | 179.9° | 180.0° |
| C5 | C1 | C2 | N3 | 0.1° | 0.2° |
| C1 | C5 | N4 | H1 | 179.9° | 179.9° |
| C5 | C1 | N2 | H3 | 0.1° | 0.1° |
| N4 | C5 | C1 | C2 | 0.1° | 0.1° |
| C5 | N4 | C4 | H1 | 180.0° | 179.5° |
| C5 | N4 | C4 | N3 | 0.0° | 0.4° |
| C5 | N4 | C4 | S1 | 179.9° | 179.7° |
| O1 | C3 | N1 | C2 | 179.9° | 180.0° |
| O1 | C3 | N2 | H3 | 0.1° | 0.0° |
| O1 | C3 | N1 | H4 | 0.1° | 0.3° |
| C1 | C2 | N1 | C3 | 0.0° | 0.0° |
| C1 | C2 | N1 | N3 | 180.0° | 179.7° |
| C1 | C2 | N3 | C4 | 0.2° | 0.3° |
| C1 | C2 | N3 | H2 | 179.9° | 179.8° |
| C2 | C1 | N2 | H3 | 179.9° | 179.9° |
| C1 | C2 | N1 | H4 | 180.0° | 179.8° |
| C3 | N1 | C2 | H4 | 180.0° | 179.8° |
| C3 | N1 | C2 | N3 | 180.0° | 179.7° |
| N1 | C3 | N2 | H3 | 179.9° | 179.9° |
| N4 | C4 | N3 | C2 | 0.1° | 0.0° |
| N4 | C4 | N3 | S1 | 179.9° | 180.0° |
| N4 | C4 | N3 | H2 | 179.9° | 179.9° |
| N1 | C2 | N3 | C4 | 179.9° | 179.9° |
| N1 | C2 | N3 | H2 | 0.1° | 0.1° |
| C2 | N3 | C4 | H2 | 180.0° | 179.9° |
| C2 | N3 | C4 | S1 | 180.0° | 180.0° |
| N3 | C2 | N1 | H4 | 0.0° | 0.1° |
| N3 | C4 | N4 | H1 | 180.0° | 179.9° |
| S1 | C4 | N4 | H1 | 0.1° | 0.1° |
| S1 | C4 | N3 | H2 | 0.0° | 0.0° |
