OV9
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C6 | N5 | doub | 1.32Å | 1.40Å | Aromatic |
| C6 | C7 | sing | 1.40Å | 1.41Å | Aromatic |
| N5 | C4A | sing | 1.33Å | 1.35Å | Aromatic |
| O4 | C4 | doub | 1.22Å | 1.23Å | |
| CAL | C7 | sing | 1.48Å | 1.40Å | |
| CAL | OAM | doub | 1.21Å | 1.23Å | |
| C7 | N8 | doub | 1.33Å | 1.35Å | Aromatic |
| C4A | C4 | sing | 1.48Å | 1.40Å | |
| C4A | C8A | doub | 1.42Å | 1.40Å | Aromatic |
| C4 | N3 | sing | 1.35Å | 1.40Å | |
| N8 | C8A | sing | 1.33Å | 1.35Å | Aromatic |
| C8A | N1 | sing | 1.35Å | 1.34Å | |
| N3 | C2 | sing | 1.36Å | 1.40Å | |
| N1 | C2 | doub | 1.31Å | 1.35Å | |
| C2 | N2 | sing | 1.37Å | 1.33Å | |
| C6 | H2 | sing | 1.08Å | 1.08Å | |
| N2 | H3 | sing | 0.97Å | 1.00Å | |
| N2 | H4 | sing | 0.97Å | 1.00Å | |
| N3 | H5 | sing | 0.97Å | 1.00Å | |
| CAL | OXT | sing | 1.35Å | 1.34Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N5 | C6 | C7 | 119.4° | 120.4° |
| C6 | N5 | C4A | 120.7° | 119.7° |
| N5 | C6 | H2 | 120.3° | 119.8° |
| C6 | C7 | CAL | 122.9° | 119.7° |
| C6 | C7 | N8 | 118.3° | 120.5° |
| C7 | C6 | H2 | 120.3° | 119.8° |
| N5 | C4A | C4 | 122.3° | 121.7° |
| N5 | C4A | C8A | 118.7° | 120.4° |
| O4 | C4 | C4A | 122.3° | 121.2° |
| O4 | C4 | N3 | 118.6° | 121.3° |
| C7 | CAL | OAM | 120.2° | 120.0° |
| CAL | C7 | N8 | 118.8° | 119.8° |
| C7 | CAL | OXT | 117.8° | 120.0° |
| OAM | CAL | OXT | 121.9° | 120.0° |
| C7 | N8 | C8A | 122.3° | 119.6° |
| C4 | C4A | C8A | 119.0° | 118.0° |
| C4A | C4 | N3 | 119.1° | 117.5° |
| C4A | C8A | N8 | 120.5° | 119.4° |
| C4A | C8A | N1 | 120.2° | 119.1° |
| C4 | N3 | C2 | 119.4° | 120.4° |
| C4 | N3 | H5 | 120.3° | 119.8° |
| N8 | C8A | N1 | 119.3° | 121.4° |
| C8A | N1 | C2 | 122.3° | 121.8° |
| N3 | C2 | N1 | 120.0° | 123.2° |
| N3 | C2 | N2 | 119.4° | 118.4° |
| C2 | N3 | H5 | 120.3° | 119.8° |
| N1 | C2 | N2 | 120.7° | 118.4° |
| C2 | N2 | H3 | 120.0° | 120.0° |
| C2 | N2 | H4 | 120.0° | 120.0° |
| H3 | N2 | H4 | 120.0° | 120.0° |
| CAL | OXT | HXT | 109.5° | 117.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N5 | C6 | C7 | H2 | 180.0° | 179.9° |
| N5 | C6 | C7 | CAL | 179.1° | 179.8° |
| N5 | C6 | C7 | N8 | 0.5° | 0.2° |
| C6 | N5 | C4A | C4 | 179.3° | 180.0° |
| C6 | N5 | C4A | C8A | 0.4° | 0.0° |
| C7 | C6 | N5 | C4A | 0.0° | 0.0° |
| C6 | C7 | CAL | N8 | 179.5° | 179.5° |
| C6 | C7 | CAL | OAM | 173.2° | 0.5° |
| C6 | C7 | N8 | C8A | 0.5° | 0.4° |
| C6 | C7 | CAL | OXT | 2.3° | 179.8° |
| N5 | C4A | C4 | O4 | 0.8° | 0.3° |
| N5 | C4A | C4 | C8A | 179.7° | 180.0° |
| N5 | C4A | C4 | N3 | 180.0° | 180.0° |
| N5 | C4A | C8A | N8 | 0.4° | 0.2° |
| N5 | C4A | C8A | N1 | 179.8° | 179.5° |
| C4A | N5 | C6 | H2 | 180.0° | 180.0° |
| O4 | C4 | C4A | N3 | 179.2° | 179.7° |
| O4 | C4 | C4A | C8A | 179.5° | 179.7° |
| O4 | C4 | N3 | C2 | 179.6° | 179.9° |
| O4 | C4 | N3 | H5 | 0.4° | 0.0° |
| C7 | CAL | OAM | OXT | 175.3° | 179.8° |
| CAL | C7 | N8 | C8A | 179.1° | 180.0° |
| CAL | C7 | C6 | H2 | 0.9° | 0.3° |
| C7 | CAL | OXT | HXT | 175.4° | 180.0° |
| OAM | CAL | C7 | N8 | 6.3° | 180.0° |
| OAM | CAL | OXT | HXT | 0.0° | 0.2° |
| C7 | N8 | C8A | C4A | 0.0° | 0.4° |
| C7 | N8 | C8A | N1 | 179.7° | 179.7° |
| N8 | C7 | C6 | H2 | 179.5° | 179.8° |
| N8 | C7 | CAL | OXT | 178.1° | 0.2° |
| C4 | C4A | C8A | N8 | 179.3° | 179.8° |
| C4 | C4A | C8A | N1 | 0.4° | 0.5° |
| C4A | C4 | N3 | C2 | 0.4° | 0.2° |
| C4A | C4 | N3 | H5 | 179.6° | 179.7° |
| C8A | C4A | C4 | N3 | 0.3° | 0.0° |
| C4A | C8A | N8 | N1 | 179.7° | 179.3° |
| C4A | C8A | N1 | C2 | 0.7° | 0.7° |
| C4 | N3 | C2 | H5 | 180.0° | 179.9° |
| C4 | N3 | C2 | N1 | 0.6° | 0.0° |
| C4 | N3 | C2 | N2 | 179.7° | 180.0° |
| N8 | C8A | N1 | C2 | 179.0° | 180.0° |
| C8A | N1 | C2 | N3 | 0.8° | 0.5° |
| C8A | N1 | C2 | N2 | 179.5° | 179.4° |
| N3 | C2 | N1 | N2 | 179.7° | 180.0° |
| N3 | C2 | N2 | H3 | 179.6° | 180.0° |
| N3 | C2 | N2 | H4 | 0.3° | 0.1° |
| N1 | C2 | N2 | H3 | 0.0° | 0.1° |
| N1 | C2 | N2 | H4 | 180.0° | 180.0° |
| N1 | C2 | N3 | H5 | 179.3° | 179.9° |
| C2 | N2 | H3 | H4 | 180.0° | 179.9° |
| N2 | C2 | N3 | H5 | 0.3° | 0.0° |
