4FG
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C4 | sing | 1.39Å | 1.37Å | |
| C3 | C4 | doub | 1.39Å | 1.43Å | Aromatic |
| C3 | C2 | sing | 1.37Å | 1.38Å | Aromatic |
| C4 | N2 | sing | 1.33Å | 1.40Å | Aromatic |
| C2 | C1 | doub | 1.40Å | 1.41Å | Aromatic |
| N2 | C5 | doub | 1.32Å | 1.34Å | Aromatic |
| C1 | C5 | sing | 1.40Å | 1.40Å | Aromatic |
| C1 | C | sing | 1.48Å | 1.48Å | |
| C | O | doub | 1.22Å | 1.24Å | |
| C | N | sing | 1.35Å | 1.37Å | |
| C2 | H1 | sing | 1.08Å | 1.08Å | |
| C3 | H2 | sing | 1.08Å | 1.08Å | |
| C5 | H3 | sing | 1.08Å | 1.08Å | |
| N1 | H4 | sing | 0.97Å | 1.00Å | |
| N1 | H5 | sing | 0.97Å | 1.00Å | |
| N | H6 | sing | 0.97Å | 1.00Å | |
| N | H7 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N1 | C4 | C3 | 120.8° | 119.5° |
| N1 | C4 | N2 | 116.0° | 119.5° |
| C4 | N1 | H4 | 109.5° | 120.0° |
| C4 | N1 | H5 | 109.4° | 120.0° |
| C4 | C3 | C2 | 117.7° | 119.4° |
| C3 | C4 | N2 | 123.3° | 121.0° |
| C4 | C3 | H2 | 121.2° | 120.3° |
| C3 | C2 | C1 | 120.1° | 118.5° |
| C3 | C2 | H1 | 120.0° | 120.8° |
| C2 | C3 | H2 | 121.2° | 120.3° |
| C4 | N2 | C5 | 116.3° | 121.6° |
| C2 | C1 | C5 | 118.9° | 119.1° |
| C2 | C1 | C | 122.4° | 120.5° |
| C1 | C2 | H1 | 119.9° | 120.7° |
| N2 | C5 | C1 | 123.8° | 120.5° |
| N2 | C5 | H3 | 118.1° | 119.7° |
| C5 | C1 | C | 118.7° | 120.5° |
| C1 | C5 | H3 | 118.1° | 119.8° |
| C1 | C | O | 123.0° | 120.0° |
| C1 | C | N | 117.7° | 120.0° |
| O | C | N | 119.4° | 120.1° |
| C | N | H6 | 120.0° | 120.0° |
| C | N | H7 | 120.0° | 119.9° |
| H4 | N1 | H5 | 109.5° | 120.0° |
| H6 | N | H7 | 120.0° | 120.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N1 | C4 | C3 | N2 | 179.9° | 180.0° |
| N1 | C4 | C3 | C2 | 180.0° | 180.0° |
| N1 | C4 | N2 | C5 | 179.8° | 179.8° |
| N1 | C4 | C3 | H2 | 0.0° | 0.0° |
| C4 | N1 | H4 | H5 | 120.0° | 180.0° |
| C4 | C3 | C2 | H2 | 180.0° | 180.0° |
| C4 | C3 | C2 | C1 | 0.2° | 0.0° |
| C3 | C4 | N2 | C5 | 0.0° | 0.2° |
| C4 | C3 | C2 | H1 | 179.7° | 179.7° |
| C3 | C4 | N1 | H4 | 179.9° | 0.0° |
| C3 | C4 | N1 | H5 | 60.1° | 180.0° |
| C2 | C3 | C4 | N2 | 0.2° | 0.0° |
| C3 | C2 | C1 | H1 | 180.0° | 179.7° |
| C3 | C2 | C1 | C5 | 0.1° | 0.2° |
| C3 | C2 | C1 | C | 179.9° | 179.7° |
| C4 | N2 | C5 | C1 | 0.2° | 0.4° |
| N2 | C4 | C3 | H2 | 179.8° | 180.0° |
| C4 | N2 | C5 | H3 | 179.8° | 180.0° |
| N2 | C4 | N1 | H4 | 0.0° | 180.0° |
| N2 | C4 | N1 | H5 | 120.0° | 0.0° |
| C2 | C1 | C5 | N2 | 0.1° | 0.4° |
| C2 | C1 | C5 | C | 179.8° | 180.0° |
| C2 | C1 | C | O | 17.4° | 0.0° |
| C2 | C1 | C | N | 162.7° | 180.0° |
| C1 | C2 | C3 | H2 | 179.8° | 180.0° |
| C2 | C1 | C5 | H3 | 179.9° | 180.0° |
| N2 | C5 | C1 | H3 | 180.0° | 179.6° |
| N2 | C5 | C1 | C | 179.7° | 179.5° |
| C5 | C1 | C | O | 162.5° | 180.0° |
| C5 | C1 | C | N | 17.5° | 0.1° |
| C5 | C1 | C2 | H1 | 179.8° | 180.0° |
| C1 | C | O | N | 180.0° | 179.9° |
| C | C1 | C2 | H1 | 0.0° | 0.0° |
| C | C1 | C5 | H3 | 0.3° | 0.1° |
| C1 | C | N | H6 | 180.0° | 0.0° |
| C1 | C | N | H7 | 0.0° | 180.0° |
| O | C | N | H6 | 0.0° | 180.0° |
| O | C | N | H7 | 180.0° | 0.1° |
| C | N | H6 | H7 | 180.0° | 179.9° |
| H1 | C2 | C3 | H2 | 0.3° | 0.2° |
