8G8
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CL | C6 | sing | 1.74Å | 1.72Å | |
| N3 | C6 | doub | 1.32Å | 1.32Å | Aromatic |
| N3 | C7 | sing | 1.32Å | 1.34Å | Aromatic |
| C6 | N2 | sing | 1.32Å | 1.32Å | Aromatic |
| C7 | C4 | doub | 1.40Å | 1.38Å | Aromatic |
| N2 | C5 | doub | 1.33Å | 1.33Å | Aromatic |
| C4 | C5 | sing | 1.41Å | 1.39Å | Aromatic |
| C4 | N1 | sing | 1.36Å | 1.39Å | Aromatic |
| C5 | N | sing | 1.37Å | 1.38Å | Aromatic |
| N1 | C3 | doub | 1.30Å | 1.31Å | Aromatic |
| N | C3 | sing | 1.36Å | 1.37Å | Aromatic |
| N | C1 | sing | 1.46Å | 1.48Å | |
| C7 | H8 | sing | 1.08Å | 1.08Å | |
| C3 | H7 | sing | 1.08Å | 1.08Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CL | C6 | N3 | 115.2° | 118.9° |
| CL | C6 | N2 | 114.6° | 118.8° |
| C6 | N3 | C7 | 113.8° | 121.3° |
| N3 | C6 | N2 | 130.3° | 122.3° |
| N3 | C7 | C4 | 125.1° | 118.6° |
| N3 | C7 | H8 | 117.5° | 120.7° |
| C6 | N2 | C5 | 111.8° | 120.4° |
| C7 | C4 | C5 | 111.7° | 118.3° |
| C7 | C4 | N1 | 138.4° | 134.7° |
| C4 | C7 | H8 | 117.5° | 120.7° |
| N2 | C5 | C4 | 127.3° | 119.0° |
| N2 | C5 | N | 126.7° | 135.0° |
| C5 | C4 | N1 | 109.9° | 107.0° |
| C4 | C5 | N | 106.0° | 106.0° |
| C4 | N1 | C3 | 104.2° | 109.5° |
| C5 | N | C3 | 105.8° | 107.5° |
| C5 | N | C1 | 125.9° | 126.3° |
| N1 | C3 | N | 114.0° | 110.0° |
| N1 | C3 | H7 | 123.0° | 125.0° |
| C3 | N | C1 | 128.3° | 126.2° |
| N | C3 | H7 | 123.0° | 125.0° |
| N | C1 | H3 | 109.5° | 109.4° |
| N | C1 | H1 | 109.5° | 109.5° |
| N | C1 | H2 | 109.5° | 109.5° |
| H3 | C1 | H1 | 109.5° | 109.5° |
| H3 | C1 | H2 | 109.5° | 109.4° |
| H1 | C1 | H2 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CL | C6 | N3 | N2 | 179.5° | 179.4° |
| CL | C6 | N3 | C7 | 178.3° | 179.8° |
| CL | C6 | N2 | C5 | 179.9° | 180.0° |
| C6 | N3 | C7 | C4 | 1.2° | 0.5° |
| N3 | C6 | N2 | C5 | 0.6° | 0.6° |
| C6 | N3 | C7 | H8 | 178.7° | 179.5° |
| C7 | N3 | C6 | N2 | 1.1° | 0.8° |
| N3 | C7 | C4 | H8 | 180.0° | 180.0° |
| N3 | C7 | C4 | C5 | 0.3° | 0.1° |
| N3 | C7 | C4 | N1 | 178.6° | 179.7° |
| C6 | N2 | C5 | C4 | 2.6° | 0.1° |
| C6 | N2 | C5 | N | 176.9° | 180.0° |
| C7 | C4 | C5 | N2 | 2.4° | 0.1° |
| C7 | C4 | C5 | N1 | 178.8° | 179.8° |
| C7 | C4 | C5 | N | 177.1° | 179.8° |
| C7 | C4 | N1 | C3 | 177.2° | 179.8° |
| N2 | C5 | C4 | N | 179.5° | 179.9° |
| N2 | C5 | C4 | N1 | 178.8° | 180.0° |
| N2 | C5 | N | C3 | 178.9° | 180.0° |
| N2 | C5 | N | C1 | 3.4° | 0.2° |
| C5 | C4 | N1 | C3 | 1.1° | 0.0° |
| C4 | C5 | N | C3 | 1.5° | 0.1° |
| C4 | C5 | N | C1 | 176.1° | 180.0° |
| C5 | C4 | C7 | H8 | 179.7° | 179.9° |
| N1 | C4 | C5 | N | 1.7° | 0.1° |
| C4 | N1 | C3 | N | 0.1° | 0.1° |
| N1 | C4 | C7 | H8 | 1.4° | 0.3° |
| C4 | N1 | C3 | H7 | 179.9° | 180.0° |
| C5 | N | C3 | N1 | 0.9° | 0.1° |
| C5 | N | C3 | C1 | 177.6° | 179.9° |
| C5 | N | C3 | H7 | 179.1° | 180.0° |
| C5 | N | C1 | H3 | 180.0° | 90.0° |
| C5 | N | C1 | H1 | 60.0° | 149.9° |
| C5 | N | C1 | H2 | 60.0° | 29.9° |
| N1 | C3 | N | H7 | 180.0° | 179.9° |
| N1 | C3 | N | C1 | 176.7° | 180.0° |
| C3 | N | C1 | H3 | 2.9° | 90.1° |
| C3 | N | C1 | H1 | 122.9° | 29.9° |
| C3 | N | C1 | H2 | 117.1° | 149.9° |
| C1 | N | C3 | H7 | 3.4° | 0.1° |
| N | C1 | H3 | H1 | 120.0° | 120.1° |
| N | C1 | H3 | H2 | 120.0° | 120.0° |
| N | C1 | H1 | H2 | 120.0° | 120.1° |
| H3 | C1 | H1 | H2 | 120.0° | 119.9° |
