8GF
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C6 | N1 | doub | 1.33Å | 1.32Å | Aromatic |
| C6 | C5 | sing | 1.38Å | 1.37Å | Aromatic |
| N1 | C2 | sing | 1.32Å | 1.34Å | Aromatic |
| C5 | C4 | doub | 1.40Å | 1.40Å | Aromatic |
| C2 | CAC | sing | 1.51Å | 1.51Å | |
| C2 | N3 | doub | 1.32Å | 1.33Å | Aromatic |
| C4 | N3 | sing | 1.33Å | 1.34Å | Aromatic |
| C4 | NAF | sing | 1.39Å | 1.44Å | |
| C5 | H1 | sing | 1.08Å | 1.08Å | |
| C6 | H2 | sing | 1.08Å | 1.08Å | |
| CAC | H3 | sing | 1.09Å | 1.10Å | |
| CAC | H4 | sing | 1.09Å | 1.10Å | |
| CAC | H5 | sing | 1.09Å | 1.10Å | |
| NAF | H6 | sing | 0.97Å | 1.00Å | |
| NAF | H7 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N1 | C6 | C5 | 118.4° | 119.2° |
| C6 | N1 | C2 | 121.7° | 121.0° |
| N1 | C6 | H2 | 120.8° | 120.4° |
| C6 | C5 | C4 | 116.8° | 118.3° |
| C6 | C5 | H1 | 121.6° | 120.8° |
| C5 | C6 | H2 | 120.8° | 120.4° |
| N1 | C2 | CAC | 118.6° | 119.1° |
| N1 | C2 | N3 | 124.4° | 121.8° |
| C5 | C4 | N3 | 124.6° | 118.9° |
| C5 | C4 | NAF | 118.9° | 120.5° |
| C4 | C5 | H1 | 121.6° | 120.8° |
| CAC | C2 | N3 | 117.0° | 119.1° |
| C2 | CAC | H3 | 109.5° | 109.5° |
| C2 | CAC | H4 | 109.5° | 109.5° |
| C2 | CAC | H5 | 109.5° | 109.5° |
| C2 | N3 | C4 | 114.0° | 120.7° |
| N3 | C4 | NAF | 116.5° | 120.5° |
| C4 | NAF | H6 | 109.5° | 120.0° |
| C4 | NAF | H7 | 109.5° | 120.0° |
| H3 | CAC | H4 | 109.4° | 109.4° |
| H3 | CAC | H5 | 109.4° | 109.5° |
| H4 | CAC | H5 | 109.5° | 109.5° |
| H6 | NAF | H7 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N1 | C6 | C5 | H2 | 180.0° | 180.0° |
| N1 | C6 | C5 | C4 | 2.1° | 0.0° |
| C6 | N1 | C2 | CAC | 177.8° | 180.0° |
| C6 | N1 | C2 | N3 | 4.3° | 0.0° |
| N1 | C6 | C5 | H1 | 177.9° | 179.9° |
| C5 | C6 | N1 | C2 | 3.6° | 0.0° |
| C6 | C5 | C4 | H1 | 180.0° | 179.9° |
| C6 | C5 | C4 | N3 | 1.2° | 0.0° |
| C6 | C5 | C4 | NAF | 179.7° | 180.0° |
| N1 | C2 | CAC | N3 | 178.1° | 180.0° |
| N1 | C2 | N3 | C4 | 3.1° | 0.0° |
| C2 | N1 | C6 | H2 | 176.4° | 180.0° |
| N1 | C2 | CAC | H3 | 0.0° | 90.0° |
| N1 | C2 | CAC | H4 | 120.0° | 150.0° |
| N1 | C2 | CAC | H5 | 120.0° | 30.0° |
| C5 | C4 | N3 | C2 | 1.6° | 0.0° |
| C5 | C4 | N3 | NAF | 179.1° | 180.0° |
| C4 | C5 | C6 | H2 | 177.9° | 180.0° |
| C5 | C4 | NAF | H6 | 179.1° | 180.0° |
| C5 | C4 | NAF | H7 | 60.8° | 0.0° |
| CAC | C2 | N3 | C4 | 179.0° | 180.0° |
| C2 | CAC | H3 | H4 | 120.0° | 120.0° |
| C2 | CAC | H3 | H5 | 120.0° | 120.0° |
| C2 | CAC | H4 | H5 | 120.0° | 120.0° |
| C2 | N3 | C4 | NAF | 179.3° | 180.0° |
| N3 | C2 | CAC | H3 | 178.1° | 90.0° |
| N3 | C2 | CAC | H4 | 61.9° | 30.0° |
| N3 | C2 | CAC | H5 | 58.1° | 150.0° |
| N3 | C4 | C5 | H1 | 178.8° | 179.9° |
| N3 | C4 | NAF | H6 | 0.0° | 0.0° |
| N3 | C4 | NAF | H7 | 120.0° | 180.0° |
| NAF | C4 | C5 | H1 | 0.3° | 0.1° |
| C4 | NAF | H6 | H7 | 120.0° | 180.0° |
| H1 | C5 | C6 | H2 | 2.1° | 0.1° |
| H3 | CAC | H4 | H5 | 120.0° | 120.0° |
