4F8
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N4C | C5C | sing | 1.34Å | 1.34Å | Aromatic |
| N4C | C7D | doub | 1.31Å | 1.36Å | Aromatic |
| C5C | C6C | doub | 1.39Å | 1.41Å | Aromatic |
| C5C | C6 | sing | 1.48Å | 1.54Å | |
| C6C | C7C | sing | 1.47Å | 1.56Å | |
| C6C | N3 | sing | 1.37Å | 1.34Å | Aromatic |
| C7C | O8C | doub | 1.22Å | 1.23Å | |
| C7C | O9C | sing | 1.35Å | 1.24Å | |
| C1D | C2D | sing | 1.40Å | 1.40Å | Aromatic |
| C1D | C6D | doub | 1.40Å | 1.38Å | Aromatic |
| C1D | C7D | sing | 1.48Å | 1.40Å | Aromatic |
| C2D | C3D | doub | 1.38Å | 1.40Å | Aromatic |
| C3D | C4D | sing | 1.38Å | 1.40Å | Aromatic |
| C4D | C5D | doub | 1.38Å | 1.39Å | Aromatic |
| C5D | C6D | sing | 1.38Å | 1.40Å | Aromatic |
| C7D | N3 | sing | 1.36Å | 1.36Å | Aromatic |
| O | C6 | doub | 1.22Å | 1.24Å | |
| O2 | C6 | sing | 1.35Å | 1.24Å | |
| N3 | H3 | sing | 0.97Å | 1.00Å | |
| O9C | H9C | sing | 0.97Å | 0.95Å | |
| C2D | H2D | sing | 1.08Å | 1.08Å | |
| C6D | H6D | sing | 1.08Å | 1.08Å | |
| C3D | H3D | sing | 1.08Å | 1.08Å | |
| C4D | H4D | sing | 1.08Å | 1.08Å | |
| C5D | H5D | sing | 1.08Å | 1.08Å | |
| O2 | H2 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C5C | N4C | C7D | 107.3° | 109.5° |
| N4C | C5C | C6C | 108.3° | 107.6° |
| N4C | C5C | C6 | 124.6° | 126.2° |
| N4C | C7D | C1D | 127.8° | 125.3° |
| N4C | C7D | N3 | 109.2° | 109.3° |
| C6C | C5C | C6 | 127.1° | 126.2° |
| C5C | C6C | C7C | 129.4° | 126.8° |
| C5C | C6C | N3 | 107.0° | 106.3° |
| C5C | C6 | O | 119.8° | 120.0° |
| C5C | C6 | O2 | 121.2° | 120.0° |
| C7C | C6C | N3 | 123.6° | 126.8° |
| C6C | C7C | O8C | 119.9° | 120.0° |
| C6C | C7C | O9C | 121.6° | 120.0° |
| C6C | N3 | C7D | 108.2° | 107.3° |
| C6C | N3 | H3 | 125.9° | 126.3° |
| O8C | C7C | O9C | 118.2° | 119.9° |
| C7C | O9C | H9C | 109.5° | 117.0° |
| C2D | C1D | C6D | 118.6° | 119.7° |
| C2D | C1D | C7D | 120.5° | 120.2° |
| C1D | C2D | C3D | 121.4° | 119.8° |
| C1D | C2D | H2D | 119.3° | 120.1° |
| C6D | C1D | C7D | 120.7° | 120.1° |
| C1D | C6D | C5D | 120.2° | 119.9° |
| C1D | C6D | H6D | 119.9° | 120.0° |
| C1D | C7D | N3 | 122.8° | 125.3° |
| C2D | C3D | C4D | 120.0° | 120.1° |
| C3D | C2D | H2D | 119.3° | 120.1° |
| C2D | C3D | H3D | 120.0° | 119.9° |
| C3D | C4D | C5D | 118.1° | 120.3° |
| C4D | C3D | H3D | 120.0° | 120.0° |
| C3D | C4D | H4D | 120.9° | 119.8° |
| C4D | C5D | C6D | 121.7° | 120.1° |
| C5D | C4D | H4D | 121.0° | 119.9° |
| C4D | C5D | H5D | 119.1° | 119.9° |
| C5D | C6D | H6D | 119.9° | 120.1° |
| C6D | C5D | H5D | 119.1° | 120.0° |
| C7D | N3 | H3 | 125.9° | 126.4° |
| O | C6 | O2 | 119.0° | 120.0° |
| C6 | O2 | H2 | 109.5° | 117.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N4C | C5C | C6C | C6 | 178.4° | 179.9° |
| N4C | C5C | C6C | C7C | 179.5° | 180.0° |
| N4C | C5C | C6C | N3 | 1.4° | 0.0° |
| C5C | N4C | C7D | C1D | 176.9° | 180.0° |
| C5C | N4C | C7D | N3 | 1.3° | 0.0° |
| N4C | C5C | C6 | O | 160.2° | 180.0° |
| N4C | C5C | C6 | O2 | 18.3° | 0.1° |
| C7D | N4C | C5C | C6C | 0.0° | 0.0° |
| C7D | N4C | C5C | C6 | 178.5° | 179.9° |
| N4C | C7D | N3 | C6C | 2.3° | 0.0° |
| N4C | C7D | C1D | C2D | 32.7° | 0.1° |
| N4C | C7D | C1D | C6D | 152.1° | 179.7° |
| N4C | C7D | C1D | N3 | 175.0° | 179.9° |
| N4C | C7D | N3 | H3 | 177.7° | 180.0° |
| C5C | C6C | C7C | N3 | 177.8° | 180.0° |
| C5C | C6C | C7C | O8C | 31.8° | 0.0° |
| C5C | C6C | C7C | O9C | 154.1° | 180.0° |
| C5C | C6C | N3 | C7D | 2.2° | 0.0° |
| C6C | C5C | C6 | O | 18.0° | 0.1° |
| C6C | C5C | C6 | O2 | 163.6° | 180.0° |
| C5C | C6C | N3 | H3 | 177.8° | 180.0° |
| C6 | C5C | C6C | C7C | 2.0° | 0.1° |
| C6 | C5C | C6C | N3 | 179.8° | 179.9° |
| C5C | C6 | O | O2 | 178.5° | 179.9° |
| C5C | C6 | O2 | H2 | 178.4° | 179.9° |
| C6C | C7C | O8C | O9C | 174.2° | 180.0° |
| C7C | C6C | N3 | C7D | 179.5° | 180.0° |
| C7C | C6C | N3 | H3 | 0.5° | 0.0° |
| C6C | C7C | O9C | H9C | 174.2° | 180.0° |
| N3 | C6C | C7C | O8C | 146.0° | 180.0° |
| N3 | C6C | C7C | O9C | 28.0° | 0.0° |
| C6C | N3 | C7D | C1D | 178.1° | 180.0° |
| C6C | N3 | C7D | H3 | 180.0° | 180.0° |
| O8C | C7C | O9C | H9C | 0.0° | 0.1° |
| C2D | C1D | C6D | C7D | 175.3° | 179.8° |
| C1D | C2D | C3D | H2D | 180.0° | 180.0° |
| C1D | C2D | C3D | C4D | 1.8° | 0.0° |
| C2D | C1D | C6D | C5D | 2.2° | 0.0° |
| C2D | C1D | C7D | N3 | 142.3° | 180.0° |
| C2D | C1D | C6D | H6D | 177.8° | 180.0° |
| C1D | C2D | C3D | H3D | 178.3° | 180.0° |
| C6D | C1D | C2D | C3D | 2.7° | 0.0° |
| C1D | C6D | C5D | C4D | 0.9° | 0.0° |
| C1D | C6D | C5D | H6D | 180.0° | 180.0° |
| C6D | C1D | C7D | N3 | 32.9° | 0.2° |
| C6D | C1D | C2D | H2D | 177.3° | 180.0° |
| C1D | C6D | C5D | H5D | 179.1° | 180.0° |
| C7D | C1D | C2D | C3D | 178.0° | 179.8° |
| C7D | C1D | C6D | C5D | 177.6° | 179.8° |
| C1D | C7D | N3 | H3 | 1.9° | 0.0° |
| C7D | C1D | C2D | H2D | 2.0° | 0.2° |
| C7D | C1D | C6D | H6D | 2.4° | 0.2° |
| C2D | C3D | C4D | H3D | 180.0° | 179.9° |
| C2D | C3D | C4D | C5D | 0.4° | 0.1° |
| C2D | C3D | C4D | H4D | 179.6° | 180.0° |
| C3D | C4D | C5D | H4D | 180.0° | 179.9° |
| C3D | C4D | C5D | C6D | 0.0° | 0.1° |
| C4D | C3D | C2D | H2D | 178.2° | 180.0° |
| C3D | C4D | C5D | H5D | 179.9° | 180.0° |
| C4D | C5D | C6D | H5D | 180.0° | 179.9° |
| C4D | C5D | C6D | H6D | 179.1° | 179.9° |
| C5D | C4D | C3D | H3D | 179.6° | 180.0° |
| C6D | C5D | C4D | H4D | 180.0° | 180.0° |
| O | C6 | O2 | H2 | 0.0° | 0.0° |
| H2D | C2D | C3D | H3D | 1.7° | 0.1° |
| H6D | C6D | C5D | H5D | 0.9° | 0.0° |
| H3D | C3D | C4D | H4D | 0.3° | 0.1° |
| H4D | C4D | C5D | H5D | 0.1° | 0.1° |
