6FP
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N2 | C2 | sing | 1.37Å | 1.33Å | |
| C2 | N1 | doub | 1.31Å | 1.35Å | |
| C2 | N3 | sing | 1.36Å | 1.41Å | |
| N1 | C8A | sing | 1.34Å | 1.36Å | |
| N3 | C4 | sing | 1.35Å | 1.41Å | |
| C8A | N8 | doub | 1.33Å | 1.35Å | Aromatic |
| C8A | C4A | sing | 1.42Å | 1.41Å | Aromatic |
| N8 | C7 | sing | 1.32Å | 1.42Å | Aromatic |
| C4 | C4A | sing | 1.48Å | 1.41Å | |
| C4 | O4 | doub | 1.22Å | 1.24Å | |
| C4A | N5 | doub | 1.32Å | 1.36Å | Aromatic |
| C7 | C6 | doub | 1.40Å | 1.39Å | Aromatic |
| N5 | C6 | sing | 1.33Å | 1.35Å | Aromatic |
| C6 | C9 | sing | 1.47Å | 1.38Å | |
| C9 | O9 | doub | 1.21Å | 1.36Å | |
| C9 | H2 | sing | 1.08Å | 1.08Å | |
| N3 | H4 | sing | 0.97Å | 1.00Å | |
| N2 | H5 | sing | 0.97Å | 1.00Å | |
| N2 | H6 | sing | 0.97Å | 1.00Å | |
| C7 | H7 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N2 | C2 | N1 | 119.9° | 118.4° |
| N2 | C2 | N3 | 119.7° | 118.4° |
| C2 | N2 | H5 | 120.0° | 120.0° |
| C2 | N2 | H6 | 120.0° | 120.1° |
| N1 | C2 | N3 | 120.5° | 123.2° |
| C2 | N1 | C8A | 120.9° | 121.8° |
| C2 | N3 | C4 | 120.3° | 120.5° |
| C2 | N3 | H4 | 119.9° | 119.8° |
| N1 | C8A | N8 | 119.5° | 121.4° |
| N1 | C8A | C4A | 120.9° | 119.1° |
| N3 | C4 | C4A | 117.8° | 117.4° |
| N3 | C4 | O4 | 120.3° | 121.3° |
| C4 | N3 | H4 | 119.9° | 119.8° |
| N8 | C8A | C4A | 119.5° | 119.6° |
| C8A | N8 | C7 | 120.1° | 119.8° |
| C8A | C4A | C4 | 119.6° | 118.0° |
| C8A | C4A | N5 | 119.7° | 120.3° |
| N8 | C7 | C6 | 118.7° | 120.5° |
| N8 | C7 | H7 | 120.7° | 119.7° |
| C4A | C4 | O4 | 121.9° | 121.3° |
| C4 | C4A | N5 | 120.7° | 121.7° |
| C4A | N5 | C6 | 121.7° | 119.6° |
| C7 | C6 | N5 | 120.3° | 120.3° |
| C7 | C6 | C9 | 120.0° | 119.9° |
| C6 | C7 | H7 | 120.7° | 119.8° |
| N5 | C6 | C9 | 119.7° | 119.9° |
| C6 | C9 | O9 | 137.8° | 120.0° |
| C6 | C9 | H2 | 111.1° | 120.0° |
| O9 | C9 | H2 | 111.1° | 119.9° |
| H5 | N2 | H6 | 120.0° | 119.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N2 | C2 | N1 | N3 | 179.9° | 179.9° |
| N2 | C2 | N1 | C8A | 179.9° | 180.0° |
| N2 | C2 | N3 | C4 | 180.0° | 180.0° |
| N2 | C2 | N3 | H4 | 0.1° | 0.0° |
| C2 | N2 | H5 | H6 | 180.0° | 180.0° |
| N1 | C2 | N3 | C4 | 0.0° | 0.1° |
| C2 | N1 | C8A | N8 | 180.0° | 180.0° |
| C2 | N1 | C8A | C4A | 0.0° | 0.1° |
| N1 | C2 | N3 | H4 | 180.0° | 179.9° |
| N1 | C2 | N2 | H5 | 0.0° | 0.0° |
| N1 | C2 | N2 | H6 | 180.0° | 180.0° |
| N3 | C2 | N1 | C8A | 0.0° | 0.1° |
| C2 | N3 | C4 | H4 | 180.0° | 180.0° |
| C2 | N3 | C4 | C4A | 0.0° | 0.0° |
| C2 | N3 | C4 | O4 | 180.0° | 179.9° |
| N3 | C2 | N2 | H5 | 179.9° | 179.9° |
| N3 | C2 | N2 | H6 | 0.1° | 0.0° |
| N1 | C8A | N8 | C4A | 180.0° | 179.9° |
| N1 | C8A | N8 | C7 | 180.0° | 179.8° |
| N1 | C8A | C4A | C4 | 0.0° | 0.0° |
| N1 | C8A | C4A | N5 | 180.0° | 180.0° |
| N3 | C4 | C4A | C8A | 0.0° | 0.0° |
| N3 | C4 | C4A | O4 | 180.0° | 179.9° |
| N3 | C4 | C4A | N5 | 180.0° | 180.0° |
| N8 | C8A | C4A | C4 | 180.0° | 180.0° |
| N8 | C8A | C4A | N5 | 0.0° | 0.0° |
| C8A | N8 | C7 | C6 | 0.0° | 0.6° |
| C8A | N8 | C7 | H7 | 180.0° | 180.0° |
| C4A | C8A | N8 | C7 | 0.0° | 0.3° |
| C8A | C4A | C4 | N5 | 179.9° | 180.0° |
| C8A | C4A | C4 | O4 | 180.0° | 179.9° |
| C8A | C4A | N5 | C6 | 0.1° | 0.0° |
| N8 | C7 | C6 | H7 | 180.0° | 179.4° |
| N8 | C7 | C6 | N5 | 0.0° | 0.6° |
| N8 | C7 | C6 | C9 | 180.0° | 179.7° |
| C4 | C4A | N5 | C6 | 180.0° | 180.0° |
| C4A | C4 | N3 | H4 | 180.0° | 180.0° |
| O4 | C4 | C4A | N5 | 0.0° | 0.1° |
| O4 | C4 | N3 | H4 | 0.0° | 0.1° |
| C4A | N5 | C6 | C7 | 0.1° | 0.3° |
| C4A | N5 | C6 | C9 | 180.0° | 180.0° |
| C7 | C6 | N5 | C9 | 180.0° | 179.7° |
| C7 | C6 | C9 | O9 | 12.3° | 0.3° |
| C7 | C6 | C9 | H2 | 167.7° | 180.0° |
| N5 | C6 | C9 | O9 | 167.8° | 180.0° |
| N5 | C6 | C9 | H2 | 12.2° | 0.3° |
| N5 | C6 | C7 | H7 | 180.0° | 179.9° |
| C6 | C9 | O9 | H2 | 180.0° | 179.8° |
| C9 | C6 | C7 | H7 | 0.0° | 0.3° |
