GBD
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O13 | C1 | sing | 1.35Å | 1.22Å | |
| O13 | H13 | sing | 0.97Å | 0.95Å | |
| C1 | O11 | doub | 1.21Å | 1.33Å | |
| C1 | C3 | sing | 1.47Å | 1.48Å | |
| C3 | N2 | doub | 1.32Å | 1.33Å | Aromatic |
| C3 | C4 | sing | 1.39Å | 1.48Å | Aromatic |
| N2 | S1 | sing | 1.58Å | 1.65Å | Aromatic |
| S1 | N5 | sing | 1.70Å | 1.65Å | Aromatic |
| C4 | O4 | sing | 1.36Å | 1.48Å | |
| C4 | N5 | doub | 1.32Å | 1.33Å | Aromatic |
| O4 | HO4 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | O13 | H13 | 120.6° | 120.0° |
| O13 | C1 | O11 | 120.6° | 120.0° |
| O13 | C1 | C3 | 121.5° | 120.0° |
| O11 | C1 | C3 | 117.8° | 120.0° |
| C1 | C3 | N2 | 126.9° | 121.6° |
| C1 | C3 | C4 | 124.5° | 121.7° |
| N2 | C3 | C4 | 108.6° | 116.7° |
| C3 | N2 | S1 | 111.0° | 105.3° |
| C3 | C4 | O4 | 124.0° | 123.0° |
| C3 | C4 | N5 | 115.3° | 114.2° |
| N2 | S1 | N5 | 97.2° | 100.7° |
| S1 | N5 | C4 | 107.1° | 103.1° |
| O4 | C4 | N5 | 120.6° | 122.9° |
| C4 | O4 | HO4 | 124.0° | 106.8° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O13 | C1 | O11 | C3 | 178.6° | 180.0° |
| O13 | C1 | C3 | N2 | 147.8° | 0.0° |
| O13 | C1 | C3 | C4 | 31.9° | 179.7° |
| H13 | O13 | C1 | O11 | 179.9° | 0.0° |
| H13 | O13 | C1 | C3 | 1.4° | 180.0° |
| O11 | C1 | C3 | N2 | 30.8° | 179.9° |
| O11 | C1 | C3 | C4 | 149.6° | 0.2° |
| C1 | C3 | N2 | C4 | 179.7° | 179.7° |
| C1 | C3 | N2 | S1 | 174.5° | 180.0° |
| C1 | C3 | C4 | O4 | 0.9° | 0.2° |
| C1 | C3 | C4 | N5 | 179.9° | 179.8° |
| C3 | N2 | S1 | N5 | 7.6° | 0.0° |
| N2 | C3 | C4 | O4 | 179.4° | 179.9° |
| N2 | C3 | C4 | N5 | 0.3° | 0.5° |
| C4 | C3 | N2 | S1 | 5.2° | 0.3° |
| C3 | C4 | N5 | S1 | 5.4° | 0.4° |
| C3 | C4 | O4 | N5 | 179.1° | 179.6° |
| C3 | C4 | O4 | HO4 | 180.0° | 90.4° |
| N2 | S1 | N5 | C4 | 7.3° | 0.2° |
| S1 | N5 | C4 | O4 | 175.4° | 180.0° |
| N5 | C4 | O4 | HO4 | 1.0° | 90.0° |






