GO8
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C3 | C2 | sing | 1.53Å | 1.53Å | |
| C2 | S1 | sing | 1.81Å | 1.78Å | |
| C2 | C4 | sing | 1.53Å | 1.52Å | |
| S1 | C1 | sing | 1.76Å | 1.75Å | |
| C1 | N5 | doub | 1.31Å | 1.34Å | Aromatic |
| C1 | N1 | sing | 1.36Å | 1.35Å | Aromatic |
| N5 | C6 | sing | 1.35Å | 1.34Å | Aromatic |
| N1 | C5 | sing | 1.38Å | 1.35Å | Aromatic |
| C6 | C5 | doub | 1.40Å | 1.38Å | Aromatic |
| C6 | N2 | sing | 1.34Å | 1.36Å | Aromatic |
| C5 | C8 | sing | 1.39Å | 1.39Å | Aromatic |
| N2 | C7 | doub | 1.32Å | 1.35Å | Aromatic |
| C8 | N4 | sing | 1.39Å | 1.35Å | |
| C8 | N3 | doub | 1.33Å | 1.36Å | Aromatic |
| C7 | N3 | sing | 1.32Å | 1.33Å | Aromatic |
| C4 | H1 | sing | 1.09Å | 1.10Å | |
| C4 | H2 | sing | 1.09Å | 1.10Å | |
| C4 | H3 | sing | 1.09Å | 1.10Å | |
| C7 | H4 | sing | 1.08Å | 1.08Å | |
| N1 | H5 | sing | 0.97Å | 1.00Å | |
| C3 | H6 | sing | 1.09Å | 1.10Å | |
| C3 | H7 | sing | 1.09Å | 1.10Å | |
| C3 | H8 | sing | 1.09Å | 1.10Å | |
| C2 | H9 | sing | 1.09Å | 1.10Å | |
| N4 | H10 | sing | 0.97Å | 1.00Å | |
| N4 | H11 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C3 | C2 | S1 | 112.5° | 109.5° |
| C3 | C2 | C4 | 107.8° | 109.5° |
| C2 | C3 | H6 | 109.5° | 109.4° |
| C2 | C3 | H7 | 109.5° | 109.4° |
| C2 | C3 | H8 | 109.4° | 109.5° |
| C3 | C2 | H9 | 109.5° | 109.5° |
| S1 | C2 | C4 | 110.7° | 109.5° |
| C2 | S1 | C1 | 114.5° | 100.0° |
| S1 | C2 | H9 | 106.7° | 109.5° |
| C2 | C4 | H1 | 109.5° | 109.5° |
| C2 | C4 | H2 | 109.5° | 109.5° |
| C2 | C4 | H3 | 109.5° | 109.5° |
| C4 | C2 | H9 | 109.6° | 109.4° |
| S1 | C1 | N5 | 125.5° | 125.1° |
| S1 | C1 | N1 | 126.7° | 125.1° |
| N5 | C1 | N1 | 107.8° | 109.7° |
| C1 | N5 | C6 | 109.8° | 109.9° |
| C1 | N1 | C5 | 108.0° | 106.9° |
| C1 | N1 | H5 | 126.0° | 126.5° |
| N5 | C6 | C5 | 106.4° | 107.2° |
| N5 | C6 | N2 | 135.1° | 134.2° |
| N1 | C5 | C6 | 108.0° | 106.3° |
| N1 | C5 | C8 | 133.3° | 135.1° |
| C5 | N1 | H5 | 126.0° | 126.5° |
| C5 | C6 | N2 | 118.6° | 118.7° |
| C6 | C5 | C8 | 118.7° | 118.6° |
| C6 | N2 | C7 | 122.0° | 120.5° |
| C5 | C8 | N4 | 118.4° | 120.7° |
| C5 | C8 | N3 | 120.1° | 118.5° |
| N2 | C7 | N3 | 119.9° | 122.5° |
| N2 | C7 | H4 | 120.0° | 118.8° |
| N4 | C8 | N3 | 121.5° | 120.8° |
| C8 | N4 | H10 | 109.5° | 120.0° |
| C8 | N4 | H11 | 109.4° | 119.9° |
| C8 | N3 | C7 | 120.7° | 121.1° |
| N3 | C7 | H4 | 120.0° | 118.7° |
| H1 | C4 | H2 | 109.5° | 109.5° |
| H1 | C4 | H3 | 109.4° | 109.4° |
| H2 | C4 | H3 | 109.5° | 109.4° |
| H6 | C3 | H7 | 109.5° | 109.5° |
| H6 | C3 | H8 | 109.5° | 109.5° |
| H7 | C3 | H8 | 109.5° | 109.5° |
| H10 | N4 | H11 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C3 | C2 | S1 | C4 | 120.6° | 120.0° |
| C3 | C2 | S1 | H9 | 120.1° | 120.0° |
| C3 | C2 | C4 | H9 | 119.2° | 120.0° |
| C3 | C2 | S1 | C1 | 172.1° | 65.0° |
| C3 | C2 | C4 | H1 | 180.0° | 59.9° |
| C3 | C2 | C4 | H2 | 60.0° | 180.0° |
| C3 | C2 | C4 | H3 | 60.0° | 60.0° |
| C2 | C3 | H6 | H7 | 120.0° | 119.9° |
| C2 | C3 | H6 | H8 | 120.0° | 120.0° |
| C2 | C3 | H7 | H8 | 120.0° | 120.0° |
| S1 | C2 | C4 | H9 | 117.4° | 120.0° |
| C2 | S1 | C1 | N5 | 158.3° | 0.1° |
| C2 | S1 | C1 | N1 | 21.5° | 179.9° |
| S1 | C2 | C4 | H1 | 56.6° | 180.0° |
| S1 | C2 | C4 | H2 | 63.4° | 59.9° |
| S1 | C2 | C4 | H3 | 176.6° | 60.0° |
| S1 | C2 | C3 | H6 | 180.0° | 60.0° |
| S1 | C2 | C3 | H7 | 60.0° | 60.0° |
| S1 | C2 | C3 | H8 | 60.0° | 180.0° |
| C4 | C2 | S1 | C1 | 67.3° | 175.0° |
| C2 | C4 | H1 | H2 | 120.0° | 120.1° |
| C2 | C4 | H1 | H3 | 120.0° | 120.0° |
| C2 | C4 | H2 | H3 | 120.0° | 120.0° |
| C4 | C2 | C3 | H6 | 57.8° | 60.0° |
| C4 | C2 | C3 | H7 | 62.3° | 180.0° |
| C4 | C2 | C3 | H8 | 177.7° | 60.0° |
| S1 | C1 | N5 | N1 | 179.8° | 179.8° |
| S1 | C1 | N5 | C6 | 179.3° | 179.9° |
| S1 | C1 | N1 | C5 | 179.3° | 179.9° |
| S1 | C1 | N1 | H5 | 0.7° | 0.1° |
| C1 | S1 | C2 | H9 | 52.0° | 55.0° |
| N5 | C1 | N1 | C5 | 0.8° | 0.3° |
| C1 | N5 | C6 | C5 | 0.6° | 0.1° |
| C1 | N5 | C6 | N2 | 178.8° | 180.0° |
| N5 | C1 | N1 | H5 | 179.1° | 179.8° |
| N1 | C1 | N5 | C6 | 0.9° | 0.1° |
| C1 | N1 | C5 | H5 | 180.0° | 180.0° |
| C1 | N1 | C5 | C6 | 0.5° | 0.3° |
| C1 | N1 | C5 | C8 | 179.3° | 180.0° |
| N5 | C6 | C5 | N1 | 0.1° | 0.2° |
| N5 | C6 | C5 | N2 | 179.5° | 180.0° |
| N5 | C6 | C5 | C8 | 179.8° | 180.0° |
| N5 | C6 | N2 | C7 | 178.3° | 180.0° |
| N1 | C5 | C6 | C8 | 179.8° | 179.8° |
| N1 | C5 | C6 | N2 | 179.4° | 179.8° |
| N1 | C5 | C8 | N4 | 0.3° | 0.2° |
| N1 | C5 | C8 | N3 | 178.2° | 179.7° |
| C5 | C6 | N2 | C7 | 1.0° | 0.0° |
| C6 | C5 | C8 | N4 | 179.9° | 179.9° |
| C6 | C5 | C8 | N3 | 1.5° | 0.0° |
| C6 | C5 | N1 | H5 | 179.5° | 179.7° |
| N2 | C6 | C5 | C8 | 0.3° | 0.0° |
| C6 | N2 | C7 | N3 | 1.1° | 0.0° |
| C6 | N2 | C7 | H4 | 178.9° | 180.0° |
| C5 | C8 | N4 | N3 | 178.5° | 179.9° |
| C5 | C8 | N3 | C7 | 1.4° | 0.0° |
| C8 | C5 | N1 | H5 | 0.8° | 0.0° |
| C5 | C8 | N4 | H10 | 178.5° | 0.0° |
| C5 | C8 | N4 | H11 | 58.5° | 179.9° |
| N2 | C7 | N3 | C8 | 0.1° | 0.0° |
| N2 | C7 | N3 | H4 | 180.0° | 180.0° |
| N4 | C8 | N3 | C7 | 179.9° | 180.0° |
| C8 | N4 | H10 | H11 | 120.0° | 179.9° |
| C8 | N3 | C7 | H4 | 179.9° | 180.0° |
| N3 | C8 | N4 | H10 | 0.0° | 179.9° |
| N3 | C8 | N4 | H11 | 120.0° | 0.0° |
| H1 | C4 | H2 | H3 | 119.9° | 119.9° |
| H1 | C4 | C2 | H9 | 60.8° | 60.0° |
| H2 | C4 | C2 | H9 | 179.2° | 60.1° |
| H3 | C4 | C2 | H9 | 59.2° | 180.0° |
| H6 | C3 | H7 | H8 | 120.0° | 120.0° |
| H6 | C3 | C2 | H9 | 61.5° | 180.0° |
| H7 | C3 | C2 | H9 | 178.5° | 60.1° |
| H8 | C3 | C2 | H9 | 58.5° | 60.0° |
