8GC
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C7 | C6 | doub | 1.38Å | 1.38Å | Aromatic |
| C7 | N8 | sing | 1.32Å | 1.33Å | Aromatic |
| C6 | C5 | sing | 1.38Å | 1.38Å | Aromatic |
| C9 | N8 | sing | 1.47Å | 1.45Å | |
| N8 | C10 | doub | 1.32Å | 1.33Å | Aromatic |
| C5 | C4 | doub | 1.40Å | 1.38Å | Aromatic |
| C10 | C4 | sing | 1.40Å | 1.38Å | Aromatic |
| C4 | C2 | sing | 1.48Å | 1.47Å | |
| C2 | N3 | sing | 1.35Å | 1.37Å | |
| C2 | O1 | doub | 1.22Å | 1.22Å | |
| C5 | H1 | sing | 1.08Å | 1.08Å | |
| C6 | H2 | sing | 1.08Å | 1.08Å | |
| C7 | H3 | sing | 1.08Å | 1.08Å | |
| C9 | H4 | sing | 1.09Å | 1.10Å | |
| C9 | H5 | sing | 1.09Å | 1.10Å | |
| C9 | H6 | sing | 1.09Å | 1.10Å | |
| C10 | H7 | sing | 1.08Å | 1.08Å | |
| N3 | H8 | sing | 0.97Å | 1.00Å | |
| N3 | H9 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C6 | C7 | N8 | 119.7° | 121.1° |
| C7 | C6 | C5 | 118.9° | 119.3° |
| C7 | C6 | H2 | 120.6° | 120.4° |
| C6 | C7 | H3 | 120.1° | 119.4° |
| C7 | N8 | C9 | 118.1° | 119.0° |
| C7 | N8 | C10 | 123.3° | 121.9° |
| N8 | C7 | H3 | 120.2° | 119.5° |
| C6 | C5 | C4 | 119.6° | 118.3° |
| C6 | C5 | H1 | 120.2° | 120.8° |
| C5 | C6 | H2 | 120.5° | 120.4° |
| C9 | N8 | C10 | 118.6° | 119.0° |
| N8 | C9 | H4 | 109.5° | 109.4° |
| N8 | C9 | H5 | 109.5° | 109.4° |
| N8 | C9 | H6 | 109.5° | 109.5° |
| N8 | C10 | C4 | 118.6° | 120.5° |
| N8 | C10 | H7 | 120.7° | 119.7° |
| C5 | C4 | C10 | 119.9° | 118.9° |
| C5 | C4 | C2 | 118.8° | 120.6° |
| C4 | C5 | H1 | 120.2° | 120.9° |
| C10 | C4 | C2 | 121.2° | 120.5° |
| C4 | C10 | H7 | 120.7° | 119.7° |
| C4 | C2 | N3 | 111.1° | 120.0° |
| C4 | C2 | O1 | 123.2° | 120.0° |
| N3 | C2 | O1 | 125.6° | 120.0° |
| C2 | N3 | H8 | 120.0° | 120.0° |
| C2 | N3 | H9 | 120.0° | 120.0° |
| H4 | C9 | H5 | 109.5° | 109.5° |
| H4 | C9 | H6 | 109.5° | 109.5° |
| H5 | C9 | H6 | 109.4° | 109.5° |
| H8 | N3 | H9 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C6 | C7 | N8 | H3 | 180.0° | 180.0° |
| C7 | C6 | C5 | H2 | 180.0° | 179.9° |
| C6 | C7 | N8 | C9 | 180.0° | 180.0° |
| C6 | C7 | N8 | C10 | 0.1° | 0.4° |
| C7 | C6 | C5 | C4 | 0.1° | 0.0° |
| C7 | C6 | C5 | H1 | 179.9° | 180.0° |
| N8 | C7 | C6 | C5 | 0.1° | 0.0° |
| C7 | N8 | C9 | C10 | 179.9° | 179.7° |
| C7 | N8 | C10 | C4 | 0.0° | 0.7° |
| N8 | C7 | C6 | H2 | 179.8° | 179.9° |
| C7 | N8 | C9 | H4 | 180.0° | 90.0° |
| C7 | N8 | C9 | H5 | 60.0° | 150.0° |
| C7 | N8 | C9 | H6 | 60.0° | 30.0° |
| C7 | N8 | C10 | H7 | 180.0° | 179.7° |
| C6 | C5 | C4 | H1 | 180.0° | 180.0° |
| C6 | C5 | C4 | C10 | 0.0° | 0.2° |
| C6 | C5 | C4 | C2 | 179.6° | 180.0° |
| C5 | C6 | C7 | H3 | 179.9° | 180.0° |
| C9 | N8 | C10 | C4 | 179.9° | 179.7° |
| C9 | N8 | C7 | H3 | 0.0° | 0.0° |
| N8 | C9 | H4 | H5 | 120.0° | 120.0° |
| N8 | C9 | H4 | H6 | 120.0° | 120.0° |
| N8 | C9 | H5 | H6 | 120.0° | 120.0° |
| C9 | N8 | C10 | H7 | 0.1° | 0.1° |
| N8 | C10 | C4 | C5 | 0.1° | 0.6° |
| N8 | C10 | C4 | H7 | 180.0° | 179.6° |
| N8 | C10 | C4 | C2 | 179.7° | 179.7° |
| C10 | N8 | C7 | H3 | 179.9° | 179.6° |
| C10 | N8 | C9 | H4 | 0.0° | 89.7° |
| C10 | N8 | C9 | H5 | 120.0° | 30.4° |
| C10 | N8 | C9 | H6 | 120.1° | 150.3° |
| C5 | C4 | C10 | C2 | 179.6° | 179.7° |
| C5 | C4 | C2 | N3 | 17.6° | 0.0° |
| C5 | C4 | C2 | O1 | 159.6° | 179.7° |
| C4 | C5 | C6 | H2 | 179.9° | 180.0° |
| C5 | C4 | C10 | H7 | 179.9° | 179.8° |
| C10 | C4 | C2 | N3 | 162.7° | 179.7° |
| C10 | C4 | C2 | O1 | 20.0° | 0.6° |
| C10 | C4 | C5 | H1 | 180.0° | 179.7° |
| C4 | C2 | N3 | O1 | 177.1° | 179.7° |
| C2 | C4 | C5 | H1 | 0.4° | 0.0° |
| C2 | C4 | C10 | H7 | 0.3° | 0.1° |
| C4 | C2 | N3 | H8 | 177.2° | 179.8° |
| C4 | C2 | N3 | H9 | 2.9° | 0.3° |
| C2 | N3 | H8 | H9 | 180.0° | 179.9° |
| O1 | C2 | N3 | H8 | 0.0° | 0.1° |
| O1 | C2 | N3 | H9 | 180.0° | 180.0° |
| H1 | C5 | C6 | H2 | 0.1° | 0.1° |
| H2 | C6 | C7 | H3 | 0.1° | 0.1° |
| H4 | C9 | H5 | H6 | 120.0° | 120.1° |
